ITEM: TIMESTEP
100000
ITEM: NUMBER OF ATOMS
21744
ITEM: BOX BOUNDS pp pp pp
0.0000000000000000e+00 4.7073061717199998e+01
0.0000000000000000e+00 4.0766467281007898e+01
0.0000000000000000e+00 9.6958885940000002e+01
ITEM: ATOMS id type element xu yu zu vx vy vz mol
1 1 C 1.75721 6.76628 31.595 0.00579692 -0.000280124 -0.00346592 1
2 2 C 1.91285 6.65859 30.205 -2.08435e-05 -0.00108468 -0.0012035 1
3 3 C 1.39688 5.5884 29.4967 0.00105943 0.00119811 0.00147223 1
4 4 C 0.743774 4.57927 30.2436 -2.65893e-05 0.000497564 -0.0048058 1
5 5 C 0.576526 4.64613 31.6436 0.00220059 0.00167237 0.000901209 1
6 6 C 1.03643 5.80124 32.3285 0.00196297 -0.00350622 0.000214383 1
7 7 C -3.89973 3.2441 31.1138 -0.000376097 -0.00309993 0.00151946 1
8 8 C -3.71061 3.18185 29.712 0.0001583 0.00202124 -0.00353794 1
9 9 C -2.4243 3.25104 29.2064 -0.00161403 0.000732953 -0.00136816 1
10 10 C -1.32741 3.22532 30.0791 0.000387015 0.00119445 -0.0021604 1
11 11 C -1.48584 3.30743 31.4995 0.00138253 0.000678322 0.00126027 1
12 12 C -2.8145 3.30148 32.0139 0.00078121 -1.32942e-05 0.00232017 1
13 13 C 1.80544 -0.0162939 31.8849 0.00189406 0.00510514 0.000926484 1
14 14 C 1.98658 -0.0184582 30.5075 -0.00252429 0.000528432 -0.00442837 1
15 15 C 1.42333 1.02905 29.745 0.00575748 -0.000137655 -0.00466046 1
16 16 C 0.785769 2.12098 30.3747 -0.00272938 -0.00250851 0.0018008 1
17 17 C 0.144529 3.26883 29.6164 -0.00435605 0.00224296 0.00121015 1
18 18 O 1.13749 0.958841 33.9741 0.000118066 -0.000320483 0.000400806 1
19 19 O -3.04832 3.37367 33.35 -0.00421469 -0.00158546 0.000241174 1
20 20 O 0.896684 5.9672 33.7029 0.00388121 -0.0044594 -0.00263002 1
21 21 C 1.2143 1.06705 32.5596 -0.00170074 0.000194988 -0.00157164 1
22 22 C 0.493764 3.23695 28.1708 0.00506542 -0.00223124 -0.000728242 1
23 23 C 0.947162 3.28511 27.0379 0.00296422 -0.0036141 -0.000595576 1
24 24 C 1.6065 3.33618 25.7729 -0.000940918 0.000140773 0.00437373 1
25 25 C 1.39919 4.41575 24.9076 0.000770099 0.00342508 0.00201375 1
26 26 C 2.20928 4.54372 23.7724 0.000810044 -0.00142266 -0.00364409 1
27 27 C 3.22175 3.61729 23.545 0.00148464 0.0067704 0.00147194 1
28 28 C 3.4871 2.61174 24.4252 0.000128225 0.00270653 7.27331e-05 1
29 29 C 2.66824 2.44338 25.5318 -0.00372445 -0.00678706 0.0010975 1
30 30 C 4.01915 3.70331 22.3693 -0.00161715 -0.00210678 -0.00280652 1
31 31 C 4.54081 3.76862 21.2638 0.00183691 0.00207823 -0.00350026 1
32 32 C 3.3257 0.307402 19.1113 0.00465483 -0.0028456 -0.00573987 1
33 33 C 3.46126 0.269427 17.7288 0.00535597 0.00451265 -0.0015933 1
34 34 C 4.05399 1.33393 17.0221 -0.0011331 0.00363623 0.000111014 1
35 35 C 4.54939 2.41308 17.7579 -0.00285829 1.99762e-06 0.00517413 1
36 36 C 4.39451 2.46222 19.1594 0.0012853 -0.00153975 -0.000177403 1
37 37 C 3.78699 1.37226 19.8522 -0.000292868 0.000756986 -0.00554505 1
38 38 C 4.94385 3.74822 19.8168 -0.000766506 -0.00684811 0.000903859 1
39 39 C 8.7972 3.85414 19.7517 -0.00343119 -0.0033621 0.00313974 1
40 40 C 8.98491 3.76915 18.3684 -0.000235613 0.00243648 0.000396575 1
41 41 C 7.89305 3.66739 17.4661 0.00407645 0.000365689 -0.00368315 1
42 42 C 6.60617 3.64394 18.0119 0.00559048 -0.00359782 -0.0020236 1
43 43 C 6.40037 3.74605 19.4284 -0.00121838 0.00457215 0.000241161 1
44 44 C 7.52886 3.87538 20.2953 -0.000149006 0.00226236 0.00488714 1
45 45 C 3.37087 7.10275 18.7142 -0.00247855 -0.00048068 -0.00277939 1
46 46 C 3.63065 7.08887 17.3291 -0.0035565 0.00473647 -0.000882567 1
47 47 C 4.27463 5.95856 16.7814 -0.00278424 -0.000299295 -0.000449038 1
48 48 C 4.63811 4.85029 17.5946 -0.00160663 0.000267272 0.0054541 1
49 49 C 5.35002 3.58896 17.1886 -0.00232714 -2.44608e-05 -0.000467781 1
50 50 C 4.36568 4.89449 18.9771 -0.000698868 0.000433807 0.00190607 1
51 51 C 3.74861 6.043 19.5432 -0.00237205 -0.00175699 -0.000903062 1
52 52 O 8.02101 3.62113 16.1093 -0.000645912 0.00296896 0.00715278 1
53 53 O 4.03935 1.2667 15.6486 -0.00139589 -0.00103315 -0.00361149 1
54 54 O 4.54827 5.95241 15.4049 -0.00182685 2.44543e-05 -0.000604011 1
55 55 C -0.141469 3.39229 32.2722 -0.000715709 -0.000169414 0.00552465 1
56 56 C 0.683101 2.16543 31.7985 -0.00417593 0.00555422 0.00321794 1
57 57 C 9.299 3.59149 15.4413 -0.00207986 0.000784749 -0.000986182 1
58 58 C 9.14561 2.80539 14.0921 -0.00105096 -0.000936899 -0.00268269 1
59 59 C 8.27835 3.51756 13.0336 -0.00224439 0.000881601 -0.000180652 1
60 60 C 8.26591 2.80215 11.6577 -0.000132487 -0.00356142 -0.00287412 1
61 61 C 7.40918 3.54719 10.6144 -0.00154699 -0.000903456 -0.00155084 1
62 62 C 7.00144 2.63585 9.40656 0.000653286 0.00140176 0.00164087 1
63 63 C 7.10975 3.33654 8.03807 -0.00205655 -0.00091234 -0.000366241 1
64 64 C 6.53086 2.55534 6.81768 0.0042016 -7.26908e-05 0.00122313 1
65 65 C 6.92207 3.28014 5.5091 -0.00620166 -0.00360291 -0.000803855 1
66 66 C 6.64475 2.38341 4.25034 -0.00253513 0.00157296 -0.000300962 1
67 67 C 7.04316 3.14411 2.97779 0.00103368 0.00148308 -0.00532566 1
68 68 C 6.79082 2.3422 1.70229 0.00163385 -0.00341451 0.000542089 1
69 69 F 1.86816 5.42325 22.802 -0.00207042 0.000980045 0.00380643 1
70 70 C 5.20914 1.24592 14.8005 -0.000155542 0.00221622 0.00259893 1
71 71 C 5.42687 -0.190966 14.3228 -0.00249462 0.00208757 0.0028318 1
72 72 C 6.27853 -0.19328 13.0672 -0.00199231 0.00326958 -0.000289089 1
73 73 C 6.52021 -1.55721 12.4232 -0.000918645 0.00307112 0.00180209 1
74 74 C 5.75096 -1.76134 11.0917 0.00250379 -0.000906709 -0.000338921 1
75 75 C 6.41654 -1.19949 9.84431 -0.00351873 -0.00448927 -0.00400144 1
76 76 C 5.89394 -1.86791 8.53254 -0.0031828 0.000161007 -0.00167116 1
77 77 C 6.48902 -1.30119 7.20995 0.00214032 0.00218336 -0.00289561 1
78 78 C 6.58275 -2.44763 6.10695 -0.00101544 0.000403243 -0.00144857 1
79 79 C 7.04341 -2.06715 4.69765 0.000597899 0.00303731 0.00704701 1
80 80 C 5.94882 -1.43695 3.8446 0.00208703 -0.00326877 0.000236907 1
81 81 C 6.37901 -1.3677 2.37746 0.00204241 0.00103982 -0.000481814 1
82 82 C 3.45008 5.92964 14.4709 0.00528366 -0.00104937 0.000145783 1
83 83 C 3.32328 4.58968 13.733 -0.00301398 -0.000786381 -0.00225871 1
84 84 C 4.10804 4.45874 12.4264 -0.00047136 0.00188685 0.0028408 1
85 85 C 3.36409 5.10321 11.2498 -0.000669758 -0.00130632 0.00430742 1
86 86 C 3.96736 4.86972 9.81289 -0.00139255 0.000692807 -0.000431255 1
87 87 C 3.20055 5.5139 8.66998 -0.000837824 0.00293006 -0.00237076 1
88 88 C 3.74356 5.01228 7.31343 -0.00392975 -0.00193101 0.000705506 1
89 89 C 2.99358 5.54113 6.10435 0.00321127 0.00157491 -0.00071077 1
90 90 C 3.34934 4.80397 4.79437 0.00137631 -0.00147152 0.00272367 1
91 91 C 2.89029 5.57279 3.54144 -0.00153382 0.00179467 0.00151784 1
92 92 C 3.18527 4.89183 2.20494 0.00505513 -0.000442158 -0.002083 1
93 93 C 2.95644 5.79045 0.984543 -0.00474891 -0.00033343 -0.00206296 1
94 94 C -4.21237 4.0877 33.8685 -0.00103207 0.00149089 -0.000292324 1
95 95 C -5.30868 3.09026 34.2691 0.000693404 -2.88635e-05 0.0053922 1
96 96 C -6.17289 3.46905 35.49 -0.0042701 0.00203465 -0.000575968 1
97 97 C -5.3568 3.50462 36.7993 0.000888708 -0.00326747 -0.00224282 1
98 98 C -6.20668 3.89105 38.0102 0.000690373 -0.00188182 -0.000381701 1
99 99 C -5.58969 3.39896 39.3206 0.00108491 -0.00184199 -0.00163062 1
100 100 C -6.27443 3.97016 40.5592 0.00264967 -0.00582194 0.00266198 1
101 101 C -5.71503 3.4329 41.8952 -0.00236598 -0.0025822 0.00333051 1
102 102 C -6.26599 4.10121 43.1369 -0.0050166 0.00100712 -0.000424585 1
103 103 C -5.50641 3.56811 44.4019 0.00120138 -0.00151522 -0.00327469 1
104 104 C -6.11551 4.09984 45.711 0.000198336 -0.00106316 0.00182528 1
105 105 C -7.46859 3.47308 46.0318 0.00101307 0.00069703 0.00164813 1
106 106 C 1.8033 6.79825 34.5189 -0.00342823 0.000611132 -0.000791986 1
107 107 C 1.13421 7.17466 35.8385 -0.00131566 0.000984531 0.000945553 1
108 108 C 1.98941 8.02634 36.7791 -0.00249955 -0.0013645 -0.00422082 1
109 109 C 1.54947 7.65942 38.2396 -0.00225637 0.000609335 0.00136254 1
110 110 C 2.35762 8.22842 39.415 0.000953306 0.00300725 0.00166087 1
111 111 C 1.73696 7.7128 40.7211 -0.00339676 0.000979392 0.00238637 1
112 112 C 2.3953 8.21473 42.0105 -0.000913253 0.00193483 -0.00234018 1
113 113 C 1.87592 7.57532 43.2921 -0.00243092 0.000692708 0.002123 1
114 114 C 2.62112 8.03961 44.5699 -0.00124886 0.00365702 0.00416401 1
115 115 C 2.40218 7.10262 45.7847 0.000956562 0.00345354 -0.00267167 1
116 116 C 0.965424 7.05414 46.3511 0.00173323 -0.00275045 0.000787927 1
117 117 C 0.685366 8.11587 47.4407 -0.00134617 -0.00505509 -0.00108839 1
118 118 C 1.93436 -0.0465958 34.7191 0.00215559 0.000586658 0.00283163 1
119 119 C 1.52324 -0.19543 36.2252 -0.00179845 -0.000489383 0.00200974 1
120 120 C 2.47715 -1.21248 36.9441 -0.000497088 -0.000520116 -0.000129589 1
121 121 C 2.15342 -1.56584 38.4325 0.00145939 -0.000518289 0.00445457 1
122 122 C 2.14267 -0.326395 39.3256 -0.0039322 0.00113926 -0.000918113 1
123 123 C 2.44857 -0.661466 40.7905 0.0047608 0.000737285 -0.000698672 1
124 124 C 1.43031 -1.58501 41.4218 -0.00184652 0.00200604 -0.00164684 1
125 125 C 1.36646 -1.34876 42.9818 -0.00122719 0.00186528 0.000321405 1
126 126 C 2.58276 -1.85079 43.7627 0.00497559 0.00326407 -0.00370795 1
127 127 C 2.55505 -1.48271 45.2495 0.00139304 -0.00197447 -0.000219443 1
128 128 C 1.2462 -1.71765 46.0335 0.00317562 -0.00189078 0.00201959 1
129 129 C 1.35445 -1.28068 47.4915 -0.00255211 -0.00231703 -0.00276086 1
130 130 F 0.354603 5.23315 25.1168 0.000818896 3.36542e-05 -0.00141865 1
131 131 H 2.1685 7.64452 32.0838 -0.00283593 -0.00530048 0.0128578 1
132 132 H 2.46128 7.42612 29.6669 -0.00219729 0.0094973 0.0116625 1
133 133 H 1.56133 5.52983 28.4248 -0.0141791 0.00570941 -0.00110526 1
134 134 H -4.90241 3.22386 31.5305 -0.000282752 -0.0142242 0.00120061 1
135 135 H -4.54553 3.15276 29.0182 -0.00699767 0.00774694 0.00483936 1
136 136 H -2.25711 3.3206 28.1356 -0.0104637 -0.00852851 -0.00333607 1
137 137 H 2.30542 -0.818857 32.4191 0.0148048 0.00576598 -0.0101468 1
138 138 H 2.58058 -0.800709 30.0442 2.81911e-05 -0.00219874 0.00342829 1
139 139 H 1.5471 1.00247 28.6664 -0.0101205 0.0039208 -0.00658235 1
140 140 H 4.33278 1.95594 24.2404 0.00408586 0.00902877 -0.00428826 1
141 141 H 2.87433 1.6413 26.2343 0.00337643 -0.000378616 0.00632761 1
142 142 H 2.80734 -0.511673 19.601 0.00628808 -0.00486863 -0.0073935 1
143 143 H 3.06461 -0.552497 17.1402 0.0137593 0.00201019 -0.00376673 1
144 144 H 3.66905 1.27757 20.9276 0.00517394 -0.00985858 -0.00585519 1
145 145 H 9.66094 3.89253 20.4089 -0.0039769 0.00730921 0.00323496 1
146 146 H 10.0285 3.78369 18.0683 -0.00292168 -0.0115524 -0.00949616 1
147 147 H 7.35692 3.78567 21.3639 0.00422643 0.0134301 0.00648794 1
148 148 H 2.85899 7.96116 19.1391 0.00796147 -0.00442559 0.0176997 1
149 149 H 3.378 7.93988 16.7035 -0.0158803 0.000406559 -0.0017796 1
150 150 H 5.53131 3.61001 16.1069 0.0157283 -0.00814077 0.00240804 1
151 151 H 3.5306 6.13771 20.6028 0.00495419 -0.0202149 0.00223284 1
152 152 H -0.287145 3.41687 33.3592 0.00323611 -0.0115589 0.00631643 1
153 153 H 9.62961 4.61423 15.222 0.00936823 0.00303855 0.0269927 1
154 154 H 10.0376 3.06528 16.0586 0.00653529 0.0130971 -0.000812968 1
155 155 H 8.70538 1.82986 14.3328 -0.00325434 0.0014962 0.00319794 1
156 156 H 10.1543 2.69254 13.6758 -0.00094368 -0.010143 0.000117616 1
157 157 H 8.7115 4.51478 12.8875 0.0111811 -0.00535154 -0.00300039 1
158 158 H 7.25643 3.61087 13.4214 0.00304987 0.00502633 0.0127792 1
159 159 H 7.86692 1.78306 11.733 0.00493085 -0.00394834 0.0183641 1
160 160 H 9.29326 2.7318 11.2795 0.000229405 0.00685231 -0.00382834 1
161 161 H 7.93117 4.44354 10.2573 0.00313925 -0.00448274 -0.00367762 1
162 162 H 6.50118 3.90875 11.1126 0.00461663 0.00617375 0.00456144 1
163 163 H 5.9845 2.26145 9.57706 0.000384393 -0.00112874 -0.00553969 1
164 164 H 7.65869 1.75866 9.36223 -0.00108244 0.000645193 -0.00916194 1
165 165 H 8.17008 3.54495 7.84921 -0.00359271 0.00319774 -0.00446078 1
166 166 H 6.58078 4.29586 8.09545 -0.0139862 -0.00842084 0.0152505 1
167 167 H 5.44063 2.4793 6.91271 0.00408165 -0.0119302 -0.0098247 1
168 168 H 6.95185 1.54352 6.8666 -0.00272543 -0.00270846 0.00627859 1
169 169 H 7.98911 3.53243 5.54362 -0.0104745 0.0146778 -0.00269999 1
170 170 H 6.34574 4.21201 5.45571 0.00548707 0.00368143 0.000501831 1
171 171 H 5.56284 2.20731 4.20705 -0.00393941 0.00999509 0.000273344 1
172 172 H 7.14374 1.40804 4.30569 -0.00199626 0.00111163 -0.013252 1
173 173 H 8.12138 3.34559 2.99405 0.000409074 0.00470411 -0.00421981 1
174 174 H 6.47442 4.07742 2.88364 -0.00516649 -0.0019287 -0.00169971 1
175 175 H 5.71207 2.24685 1.52728 0.000976848 -0.00502873 0.00551211 1
176 176 H 7.27653 1.35866 1.71358 0.00886597 0.000234761 0.00737904 1
177 177 H 7.19772 2.93027 0.87041 -0.000130612 -0.00405158 -0.000769608 1
178 178 H 5.0506 1.9149 13.9457 0.000279061 0.00336534 0.00341588 1
179 179 H 6.0604 1.65834 15.3561 0.00712115 -0.0055903 -0.00280491 1
180 180 H 5.98432 -0.730027 15.0987 0.00650051 -0.00615939 -0.00935477 1
181 181 H 4.46043 -0.704749 14.2491 -0.00389065 0.00438342 0.00502106 1
182 182 H 5.87023 0.528198 12.3488 0.0156489 0.00555199 -0.00802771 1
183 183 H 7.25274 0.240486 13.3244 -0.00542787 0.0082064 0.00436171 1
184 184 H 7.59255 -1.61336 12.1988 -0.000933617 -0.000423598 0.00262214 1
185 185 H 6.26227 -2.32577 13.1622 -0.0110126 0.0102914 0.00581336 1
186 186 H 5.61737 -2.84384 10.9744 0.0151075 -0.00438452 0.0173485 1
187 187 H 4.73703 -1.35462 11.1914 0.000494047 -0.00528047 -0.00292365 1
188 188 H 6.2873 -0.112222 9.77685 -0.00382849 -0.00410524 0.00293886 1
189 189 H 7.4926 -1.41025 9.81138 -0.0027872 -0.00248034 0.00821104 1
190 190 H 6.14702 -2.9332 8.59976 0.0155265 0.0039243 -0.0122181 1
191 191 H 4.80329 -1.76205 8.48077 -0.0036233 -0.000290797 0.00674095 1
192 192 H 5.89467 -0.47017 6.81049 -0.00158888 0.00965527 0.0182939 1
193 193 H 7.51466 -0.934832 7.3413 0.00372987 -0.00193702 -0.00377253 1
194 194 H 7.3639 -3.1067 6.50551 -0.00396514 -0.00706607 -0.00809248 1
195 195 H 5.60292 -2.94075 6.0936 0.00118682 -0.00425738 0.00866571 1
196 196 H 7.91273 -1.4002 4.75142 -0.000114919 0.0046744 -0.00169262 1
197 197 H 7.36126 -2.97083 4.16312 0.00231612 0.000936538 0.0116345 1
198 198 H 5.00319 -1.98511 3.93798 0.00128997 -0.00351379 -0.00927737 1
199 199 H 5.80364 -0.438006 4.27405 -0.00377883 0.00278484 -0.015916 1
200 200 H 5.68923 -0.731931 1.80876 0.00459886 0.00334236 -0.00101021 1
201 201 H 7.39951 -0.991343 2.23482 -0.00487721 0.013046 -0.0183662 1
202 202 H 6.40506 -2.36017 1.91085 -0.00495361 -0.000398076 0.00221101 1
203 203 H 2.55142 6.10501 15.0751 0.00357515 0.00258476 -0.00346136 1
204 204 H 3.56292 6.75054 13.752 -0.00224247 0.000259996 0.000462797 1
205 205 H 3.56092 3.79095 14.4464 -0.0150731 0.000963716 0.00375747 1
206 206 H 2.2719 4.37322 13.5068 0.00189981 -0.00336798 -0.0226449 1
207 207 H 5.09668 4.89682 12.6111 -0.00253678 0.00851465 -0.00187599 1
208 208 H 4.27946 3.40685 12.1665 0.00205203 0.00576185 -0.0112459 1
209 209 H 2.29637 4.85227 11.2293 -0.00123431 0.00230582 -0.0116147 1
210 210 H 3.3594 6.19416 11.3648 0.0102032 -0.00153146 0.00680117 1
211 211 H 5.01793 5.18471 9.83499 -0.00208328 0.00285636 0.00142398 1
212 212 H 4.10208 3.8176 9.53306 -0.0052387 -0.00434404 0.0168467 1
213 213 H 2.11918 5.33881 8.72829 0.002234 -0.0197655 -0.0136686 1
214 214 H 3.38752 6.59197 8.74879 0.00792831 0.00149559 -0.0033887 1
215 215 H 4.79199 5.27611 7.12742 -0.00326937 -0.00772701 -0.00384972 1
216 216 H 3.66998 3.91775 7.3151 0.00437515 -0.00248636 0.00389247 1
217 217 H 1.91558 5.43129 6.27546 0.00174014 -0.00285322 -0.012789 1
218 218 H 3.17677 6.61409 5.96796 -0.00484241 0.00168503 -0.0107921 1
219 219 H 4.44266 4.71556 4.77898 0.0018129 0.00486345 -0.0019134 1
220 220 H 3.02106 3.75951 4.72551 -0.00766986 0.0020543 -0.00763659 1
221 221 H 1.8138 5.73403 3.67773 -0.00340472 0.00390654 -0.0160171 1
222 222 H 3.37456 6.55661 3.57286 -0.00896504 0.00591638 -0.0135554 1
223 223 H 4.24384 4.61356 2.13137 0.00507259 -6.98965e-05 -0.00327624 1
224 224 H 2.56666 3.99175 2.10203 -0.0118606 0.0107988 0.00122042 1
225 225 H 3.61561 6.65573 1.12658 -0.00481548 7.34129e-05 -0.0042572 1
226 226 H 1.92939 6.17479 0.95511 -0.00262502 0.00527179 -0.00319053 1
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1003 97 C 5.68088 10.8527 36.6553 0.00194357 -0.00344173 -0.000412446 4
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1006 100 C 5.63585 9.72405 40.3831 7.83344e-06 -0.000909948 0.000885432 4
1007 101 C 5.93876 10.4751 41.7017 0.00555383 0.000705228 0.000480979 4
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1016 110 C 13.0636 15.1691 38.1653 -0.000695253 -0.00175158 9.97124e-05 4
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1020 114 C 14.0954 14.8841 42.8573 -0.000888608 0.00105941 -0.00339421 4
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1023 117 C 14.5057 14.4629 46.7176 0.000477813 0.00190828 0.00207729 4
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1034 128 C 13.8921 5.69108 46.8796 -0.00014109 0.00240496 2.75903e-05 4
1035 129 C 12.5136 6.26644 47.2849 0.00155856 0.00380936 0.00527269 4
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1512 2 C 21.702 13.2614 30.0491 0.00314173 0.0031755 0.0020387 6
1513 3 C 21.2057 12.1712 29.383 0.00195342 -0.00191241 0.00269499 6
1514 4 C 20.479 11.1756 30.105 -0.00021145 -0.00221479 0.000350705 6
1515 5 C 20.2242 11.3392 31.4507 -0.00169972 0.00172226 0.00229418 6
1516 6 C 20.6785 12.5269 32.0757 -0.00232172 0.000576335 0.000898115 6
1517 7 C 15.8013 10.2475 30.8463 0.00144758 -0.00427383 -0.00225402 6
1518 8 C 16.0185 10.1411 29.4611 0.00207915 -0.000378552 0.00228053 6
1519 9 C 17.2949 10.0151 28.9649 0.00582046 0.002548 -0.00189566 6
1520 10 C 18.3529 9.99539 29.9052 0.000704956 -0.000239866 -0.00104626 6
1521 11 C 18.1795 10.0871 31.3012 -0.000825434 -0.00119575 0.00156307 6
1522 12 C 16.8396 10.209 31.7957 -0.00218811 0.000888446 -0.00107992 6
1523 13 C 21.3161 6.65314 31.819 0.00273578 0.00629472 0.00280416 6
1524 14 C 21.5238 6.63358 30.4378 -0.000419181 -0.0034939 0.00178353 6
1525 15 C 21.0614 7.66477 29.6455 0.000415846 -0.00083227 -0.000110469 6
1526 16 C 20.4266 8.76933 30.2606 -0.00640877 -0.00146335 0.000294336 6
1527 17 C 19.8162 9.93098 29.4771 0.00103418 0.000992 0.000611149 6
1528 18 O 20.6451 7.82171 33.8721 0.00279933 -0.000298626 0.00183433 6
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1530 20 O 20.4224 12.7258 33.4487 0.00286805 -0.0034729 0.000178073 6
1531 21 C 20.7507 7.77203 32.4714 -0.000813982 -0.000554642 0.00172551 6
1532 22 C 20.0769 9.89689 28.009 0.000584566 0.00134757 0.00257578 6
1533 23 C 20.6006 9.86284 26.9289 -0.00213316 -0.0017247 0.00223749 6
1534 24 C 21.4029 9.96621 25.7611 -0.00124138 0.000246892 -0.00306776 6
1535 25 C 21.7063 11.2183 25.2348 -0.00259907 -0.0051384 -0.000361269 6
1536 26 C 22.7107 11.3156 24.2755 0.00387901 0.00188481 0.00115068 6
1537 27 C 23.3793 10.1433 23.8462 0.00431966 0.00290963 -0.00231031 6
1538 28 C 23.0016 8.85901 24.322 -0.000932762 0.00595636 0.00110856 6
1539 29 C 22.049 8.7834 25.3239 0.000934865 -0.00238667 0.00217657 6
1540 30 C 24.2321 10.28 22.714 -0.00295163 0.00101455 0.0022386 6
1541 31 C 24.6897 10.3213 21.5886 -0.00452023 0.00116593 -0.00377085 6
1542 32 C 22.6681 7.1502 19.4178 -0.00357669 -0.00472448 -0.00108267 6
1543 33 C 22.6906 7.19244 18.0082 0.000677938 0.00322468 -0.00111244 6
1544 34 C 23.341 8.2446 17.3342 -0.000984113 -0.000777376 0.00358981 6
1545 35 C 24.0406 9.23057 18.0861 -0.000566256 -0.00650346 -0.00305298 6
1546 36 C 23.9972 9.18135 19.4821 0.00098454 0.00180957 -0.000568778 6
1547 37 C 23.3591 8.12258 20.1697 -0.000210574 -0.00540176 -0.00147275 6
1548 38 C 24.8406 10.3214 20.1347 0.00169774 0.00325227 0.00349254 6
1549 39 C 28.6194 9.98422 19.4433 0.00309643 0.00525723 -0.00299424 6
1550 40 C 28.5812 10.0119 18.0248 -0.000979085 6.12076e-05 0.00177299 6
1551 41 C 27.3713 10.1683 17.3831 0.000919942 0.00236687 -2.892e-05 6
1552 42 C 26.1942 10.2404 18.1223 0.00180919 -0.00168819 0.00139364 6
1553 43 C 26.2182 10.1643 19.5298 0.00193407 0.00164885 -0.00099282 6
1554 44 C 27.4272 10.0419 20.2156 0.000905354 -7.53039e-06 -0.00077129 6
1555 45 C 23.0794 13.7392 19.5361 -0.00440345 -0.000248298 -0.000711517 6
1556 46 C 23.1403 13.7604 18.1145 -8.16942e-05 0.00235029 -0.00231997 6
1557 47 C 23.7293 12.7059 17.4111 -0.0055286 -0.000929332 -0.00160598 6
1558 48 C 24.2782 11.6423 18.0985 0.000374948 0.00171294 -0.00259471 6
1559 49 C 24.8505 10.3904 17.4629 -0.00178971 2.28359e-05 -0.00318237 6
1560 50 C 24.1992 11.5891 19.5206 -0.000572718 -0.000949537 0.000304941 6
1561 51 C 23.5962 12.6366 20.2361 -0.00445309 -0.00124267 -0.00282155 6
1562 52 O 27.4157 10.3429 16.0156 -0.00238846 0.000854577 -0.00244725 6
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1564 54 O 24.0457 12.9227 16.0954 -0.00194813 -0.000363406 0.00162183 6
1565 55 C 19.5277 10.1209 32.0873 1.14026e-05 -0.000960369 0.00304299 6
1566 56 C 20.2801 8.83507 31.6651 0.0029512 -0.00269194 9.75193e-05 6
1567 57 C 27.6321 9.28099 15.0845 0.00320967 -0.000366148 0.00129647 6
1568 58 C 26.3109 8.92654 14.3777 -0.00144966 -0.00151127 0.00307711 6
1569 59 C 26.056 9.88502 13.2107 -0.00029964 -0.0011498 0.000377126 6
1570 60 C 26.7106 9.3638 11.9599 0.00337266 0.00131057 0.0040542 6
1571 61 C 26.3363 10.165 10.7011 0.0064777 0.00354277 0.00168869 6
1572 62 C 26.745 9.49657 9.39678 -0.00185015 0.00114814 0.00105615 6
1573 63 C 26.3402 10.4485 8.28316 0.000615641 0.00104577 -0.00174113 6
1574 64 C 26.6645 9.93918 6.90604 -0.0015921 0.00092813 -0.00059198 6
1575 65 C 26.1211 10.8412 5.80034 -0.000577763 -0.00233837 -0.00271457 6
1576 66 C 26.4642 10.4203 4.35708 0.00485582 -0.000683096 0.00405013 6
1577 67 C 25.7556 11.3033 3.3101 0.00471915 -0.00383671 -0.00256737 6
1578 68 C 26.3513 11.1243 1.90716 0.00146474 -0.000466773 0.00193214 6
1579 69 F 23.0395 12.5369 23.7262 -0.00133596 -0.00201913 -0.00187127 6
1580 70 C 23.1296 7.11269 15.1029 -0.00332496 -0.00348192 0.000917689 6
1581 71 C 22.9571 7.71641 13.6742 0.00178991 -0.00393099 -7.50475e-05 6
1582 72 C 23.74 6.9708 12.5506 0.00209104 0.00191625 0.00474732 6
1583 73 C 23.6424 7.66295 11.1843 0.00225787 -0.000579596 -0.00209918 6
1584 74 C 22.1691 7.78156 10.7309 -0.00524885 -0.00163667 0.000651729 6
1585 75 C 21.8995 7.48501 9.26368 -0.0024975 0.00518594 -0.00374928 6
1586 76 C 22.6043 8.33807 8.24688 -0.00182733 -0.00131615 -0.00153814 6
1587 77 C 22.3213 7.73268 6.8203 7.19482e-06 -0.00239672 -0.000320384 6
1588 78 C 22.9234 8.57506 5.65923 0.00240661 0.00370815 -2.80804e-05 6
1589 79 C 22.67 7.91946 4.29706 -0.00171733 0.00380204 -0.0025995 6
1590 80 C 23.2047 8.76605 3.11752 0.00427836 -0.000423617 0.00484076 6
1591 81 C 22.8661 8.20831 1.7175 -0.00277451 -0.00321737 0.00194972 6
1592 82 C 25.2948 13.4799 15.7605 -0.00145036 0.000512774 -0.000714625 6
1593 83 C 25.2188 14.3876 14.4959 0.00199812 -0.000154082 -0.00304318 6
1594 84 C 25.6105 13.7419 13.1136 0.00138758 0.00225065 0.0013085 6
1595 85 C 25.2842 14.6353 11.8688 0.00186536 -0.00257636 0.00177095 6
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1797 287 H 23.3577 5.62196 38.9347 -0.000796918 -0.00299888 -0.00519142 6
1798 288 H 21.5637 4.31857 39.2944 -0.000657842 -0.000369939 -0.00168386 6
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1801 291 H 20.9223 6.7242 40.9958 -0.0174523 -0.00357678 0.0138491 6
1802 292 H 23.0356 5.49998 41.8123 -0.000591447 0.00175061 0.00606749 6
1803 293 H 22.1389 4.01973 41.8822 -0.0149545 -0.00267116 0.0099008 6
1804 294 H 20.4868 5.17437 43.4655 0.00100015 0.00704854 0.00925084 6
1805 295 H 21.4738 6.60129 43.4704 -0.00077355 0.000958566 0.00288602 6
1806 296 H 23.4207 5.41644 44.4739 -0.00221756 0.00210628 -0.00783941 6
1807 297 H 22.5148 3.88573 44.4134 0.00157157 0.000538368 0.00878686 6
1808 298 H 20.7564 4.80603 45.8218 -0.00247449 -0.0015093 0.0143719 6
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1811 301 H 22.0326 5.20494 48.0073 0.00334469 0.00697573 0.00167985 6
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1813 1 C 25.3372 6.6859 31.0538 0.00141454 0.00282371 -0.00352476 7
1814 2 C 25.4777 6.67771 29.66 0.0002804 0.000150869 0.00472592 7
1815 3 C 24.9373 5.65508 28.9639 -0.000607176 0.000691516 0.00348805 7
1816 4 C 24.2882 4.60046 29.6427 0.00264547 0.000967329 0.00376956 7
1817 5 C 24.1645 4.58378 31.0775 0.000700351 0.00125144 0.00161678 7
1818 6 C 24.6654 5.68359 31.8086 -0.00407444 -0.000350238 0.00382496 7
1819 7 C 19.759 3.21961 30.6082 0.000479343 0.00127412 -0.000276654 7
1820 8 C 19.8428 3.21132 29.1895 -0.00213085 -0.00458535 -0.00168863 7
1821 9 C 21.0819 3.26351 28.5808 0.00111438 0.000401577 -0.00136012 7
1822 10 C 22.261 3.28994 29.4062 -0.00139718 0.00270225 0.00549494 7
1823 11 C 22.1684 3.28412 30.8145 0.00207135 -0.00728397 0.00113196 7
1824 12 C 20.9079 3.19589 31.4304 0.00243693 0.004184 0.000157786 7
1825 13 C 25.3728 -0.0454611 30.9379 -0.00258595 -0.00129916 0.00255348 7
1826 14 C 25.474 -0.000398058 29.5334 -0.00251622 0.00095277 -0.00104167 7
1827 15 C 24.9177 1.05894 28.8646 -0.00107544 -0.00123356 -0.00209095 7
1828 16 C 24.3187 2.12682 29.5767 0.00127125 0.000347859 -0.00457914 7
1829 17 C 23.7104 3.38744 28.9187 0.00414506 0.0025752 0.00035525 7
1830 18 O 24.7282 0.906176 33.1226 -0.000896483 -0.00150211 0.0010602 7
1831 19 O 20.8017 3.22507 32.7624 -0.00133267 -0.00420872 0.000246255 7
1832 20 O 24.6035 5.81567 33.2046 0.00302091 -0.00140928 -0.000257893 7
1833 21 C 24.787 0.980686 31.7108 0.000666011 -0.00324156 0.00532948 7
1834 22 C 23.9553 3.43754 27.4842 0.000286962 -0.00392828 0.00232398 7
1835 23 C 24.4041 3.50391 26.3656 -0.00192372 0.000442627 0.00337534 7
1836 24 C 25.155 3.49705 25.1707 -0.00448013 -0.00567343 -0.00135327 7
1837 25 C 25.6288 2.26251 24.6474 -0.00080843 -0.00516949 0.00435617 7
1838 26 C 26.5126 2.26843 23.5774 0.000485384 -0.00238917 -0.00167239 7
1839 27 C 26.953 3.48829 23.0393 0.00248215 0.00296923 0.0009449 7
1840 28 C 26.4817 4.67327 23.5565 0.00116538 -0.00230129 0.000420538 7
1841 29 C 25.5117 4.69511 24.5947 0.00381064 0.00457689 -0.00133656 7
1842 30 C 27.8376 3.52721 21.9356 -0.00108322 -0.00153618 0.00389645 7
1843 31 C 28.3459 3.63782 20.8503 -0.0005368 -0.00349389 0.00104475 7
1844 32 C 27.0742 0.293968 18.5335 0.00330307 0.00151012 0.00280658 7
1845 33 C 27.2295 0.26271 17.1501 -0.00552132 -0.00217901 0.00253232 7
1846 34 C 27.7899 1.38459 16.5278 -0.00260763 -0.00170104 -0.00370248 7
1847 35 C 28.2071 2.49052 17.2986 0.000522759 -0.00219799 -0.00307775 7
1848 36 C 28.0218 2.49431 18.7031 -0.00610277 0.00178678 -0.00232224 7
1849 37 C 27.4282 1.38758 19.302 -0.00109008 0.00331821 0.0014707 7
1850 38 C 28.6542 3.67013 19.4226 0.00530482 0.00188853 0.00242614 7
1851 39 C 32.5103 3.77136 19.0493 0.00621954 -0.00282441 0.000254033 7
1852 40 C 32.5854 3.90247 17.6483 -0.00351524 -0.00270269 -0.00211138 7
1853 41 C 31.4297 3.92435 16.8603 0.00105942 0.000432704 0.000565946 7
1854 42 C 30.1947 3.77423 17.5247 4.18843e-05 0.00216608 0.00140857 7
1855 43 C 30.081 3.70757 18.9136 0.000710399 -0.00115747 0.00256676 7
1856 44 C 31.2502 3.64935 19.6712 0.00160105 -0.00231122 0.00152544 7
1857 45 C 26.5842 6.86049 18.6224 -0.000652546 -0.000759545 0.000670351 7
1858 46 C 26.591 6.7987 17.1939 -0.00207009 -9.15834e-05 0.000407588 7
1859 47 C 27.3701 5.83621 16.531 -0.000511414 0.00123299 0.00314108 7
1860 48 C 28.022 4.89619 17.3058 -0.00366278 -0.0028326 -0.00305362 7
1861 49 C 28.8527 3.7535 16.7607 -0.00319921 -0.00244177 -0.00369904 7
1862 50 C 27.9135 4.85884 18.7325 -0.0028676 0.00365369 -0.00279482 7
1863 51 C 27.2185 5.89498 19.3872 -0.000715336 0.00554975 -0.00281568 7
1864 52 O 31.4739 4.21377 15.5305 0.000793092 0.00189505 0.00302644 7
1865 53 O 28.0716 1.39571 15.1681 -0.00602074 -0.00116853 -0.00230992 7
1866 54 O 27.6094 5.87173 15.1726 0.000964467 -6.05625e-05 0.00169925 7
1867 55 C 23.4923 3.29881 31.6167 0.000184098 0.00197794 -0.000564898 7
1868 56 C 24.2373 2.10883 31.0159 0.000980083 -0.00383559 -0.000634915 7
1869 57 C 31.8186 3.14949 14.6719 0.000787769 -0.000778956 -0.00017912 7
1870 58 C 31.8946 3.74905 13.2432 0.00107661 -0.00260874 -0.000102935 7
1871 59 C 30.5653 3.67863 12.4135 0.00130573 0.00181818 0.000383208 7
1872 60 C 30.5959 2.79758 11.0896 -0.00187674 -0.00112256 -0.00210465 7
1873 61 C 30.9111 3.48555 9.78229 0.00639314 -0.00103103 0.000327457 7
1874 62 C 30.4033 2.72387 8.5463 -0.00123365 0.00125095 0.00251592 7
1875 63 C 30.5596 3.56723 7.25404 -0.00148175 0.00129416 -0.000125793 7
1876 64 C 30.1972 2.74509 6.01947 0.000455554 -0.00169956 -0.000681209 7
1877 65 C 30.3739 3.50099 4.69869 0.00183297 -0.000953365 0.00123891 7
1878 66 C 30.3924 2.51109 3.5649 0.000948196 0.00651414 0.00217082 7
1879 67 C 30.2623 3.17664 2.19561 -0.00376385 -0.00227897 -6.65549e-05 7
1880 68 C 30.4959 2.19756 1.03593 0.00272862 -0.000312866 -0.00345965 7
1881 69 F 26.9123 1.08448 23.0786 -8.79335e-05 0.00184362 -0.000360359 7
1882 70 C 28.4941 0.181465 14.5576 0.000357263 -0.00134913 -0.00163699 7
1883 71 C 29.1173 0.533611 13.1733 8.65265e-05 0.0042499 -0.000335356 7
1884 72 C 29.4845 -0.730453 12.433 -0.00035623 -0.00345797 -0.00406597 7
1885 73 C 29.7433 -0.593985 10.9191 -0.000141241 -0.0036308 0.00251338 7
1886 74 C 30.4887 -1.80307 10.3269 -0.00466034 -0.000613762 0.000530817 7
1887 75 C 31.1391 -1.45964 8.9614 0.00110181 -0.00141365 -0.00244242 7
1888 76 C 30.178 -1.13773 7.79201 -0.00351251 -0.00310651 -0.00344214 7
1889 77 C 31.0683 -0.824602 6.5758 0.00541427 0.000569566 -0.000728396 7
1890 78 C 30.3166 -0.743413 5.25721 -0.00268198 -0.00132045 -0.00382532 7
1891 79 C 29.8149 -2.04303 4.72248 -5.25685e-05 0.0036584 -0.00112833 7
1892 80 C 29.1074 -1.89431 3.39861 -0.00261879 -0.00590338 0.00276544 7
1893 81 C 30.0087 -1.5009 2.23713 0.000811203 0.00226617 -0.00104767 7
1894 82 C 26.9274 4.93082 14.3318 -0.00191987 -0.0023417 0.00397849 7
1895 83 C 27.3886 5.24287 12.907 -0.00131362 -0.00177374 0.00219652 7
1896 84 C 27.0806 4.10379 11.9193 -0.000836354 -0.00207533 0.00254621 7
1897 85 C 27.5377 4.52017 10.4523 0.000878155 -0.000365358 -0.00326026 7
1898 86 C 26.4473 5.34927 9.74819 -0.000829642 0.0019435 0.0028296 7
1899 87 C 26.7946 5.47892 8.26074 -0.000765056 -0.00132792 0.00257201 7
1900 88 C 25.6598 6.03585 7.35828 -0.00229386 0.00210029 -0.000308747 7
1901 89 C 26.1442 6.34216 5.92295 0.00325919 -0.000853915 -0.000358128 7
1902 90 C 26.739 5.0902 5.23505 0.000913326 0.000405922 -0.00492028 7
1903 91 C 27.0729 5.32942 3.74609 -0.00381929 0.00563971 -0.00234011 7
1904 92 C 25.8724 5.7664 2.86788 0.00313408 0.00178525 0.000325786 7
1905 93 C 26.1413 5.44211 1.35525 -0.00223811 0.000792553 -0.00235692 7
1906 94 C 19.5136 3.37967 33.3551 0.00150741 -0.00104457 0.00150142 7
1907 95 C 19.616 3.22249 34.8604 0.00186128 -0.00255593 0.000897272 7
1908 96 C 18.3556 3.73116 35.5664 0.00617119 -0.00187606 -0.000966382 7
1909 97 C 18.4805 3.5269 37.0751 0.000196127 0.000452809 -0.000346525 7
1910 98 C 17.3365 4.08897 37.9976 0.00295564 0.00124985 -0.00271529 7
1911 99 C 17.6595 4.06951 39.5138 -0.000406203 -0.000309631 0.00112441 7
1912 100 C 17.7177 2.69588 40.1854 -0.00030183 -0.00207961 0.00160425 7
1913 101 C 18.4024 2.63758 41.5713 -0.00184753 0.000184866 0.00153338 7
1914 102 C 17.5827 3.03973 42.8344 0.0027607 0.00562393 0.00179325 7
1915 103 C 18.4291 2.81193 44.1536 0.000881577 -0.000214144 0.00294914 7
1916 104 C 17.5632 2.98101 45.4746 0.00292737 0.00195735 0.00120653 7
1917 105 C 18.3693 2.67066 46.7487 -5.26229e-05 -0.00285338 0.00384468 7
1918 106 C 25.4017 6.88528 33.795 1.88676e-05 -0.00282944 0.00187877 7
1919 107 C 25.477 6.93031 35.3278 -0.00422906 -0.00302514 -0.00095106 7
1920 108 C 26.356 8.09127 35.8012 0.000532106 -0.00112778 -0.00371143 7
1921 109 C 25.9993 8.69669 37.1428 -0.00242858 0.000292982 0.00182703 7
1922 110 C 25.9131 7.74758 38.3869 -0.0020474 -0.00432435 0.000136967 7
1923 111 C 25.7735 8.55223 39.7059 -0.000807556 0.00127253 0.00075911 7
1924 112 C 25.6774 7.66549 40.9479 0.000270803 -0.00181952 0.000860088 7
1925 113 C 25.6871 8.48443 42.2434 0.00172713 0.00137825 -0.00464014 7
1926 114 C 25.5125 7.59159 43.487 -0.00361465 0.00506276 0.00423251 7
1927 115 C 25.4189 8.43452 44.77 0.00190516 -2.19819e-05 0.00222823 7
1928 116 C 25.3877 7.50349 46.0024 -0.00242348 0.000112962 -0.000372218 7
1929 117 C 25.3203 8.30949 47.3035 0.00249407 0.000933056 -0.0015258 7
1930 118 C 25.3148 -0.274289 33.6967 0.00163065 -0.00488328 -0.000920554 7
1931 119 C 25.2384 -0.379067 35.2246 -0.00281193 0.00501212 -0.000522583 7
1932 120 C 26.0381 -1.58861 35.7786 0.00108965 0.00443889 0.00389396 7
1933 121 C 25.8536 -1.87756 37.2856 3.11876e-05 -0.00029321 0.00127321 7
1934 122 C 25.9308 -0.661811 38.2375 0.000217683 -0.0038049 -0.00195031 7
1935 123 C 25.8784 -1.12633 39.7308 -0.000154955 -0.00144125 0.0026867 7
1936 124 C 25.7195 0.103592 40.6749 -0.000984008 0.000587337 -0.00074792 7
1937 125 C 25.323 -0.313285 42.1043 -0.0013319 0.00311236 -0.00230961 7
1938 126 C 26.4166 -1.03354 42.9278 -0.00144533 -0.00102445 -0.00167083 7
1939 127 C 25.8031 -1.59329 44.2425 -0.00144674 0.00283635 -0.00157015 7
1940 128 C 25.5046 -0.462622 45.2542 -0.00104986 0.000592733 0.00118336 7
1941 129 C 25.0585 -1.0188 46.6224 0.000534891 -0.00138077 -0.000693296 7
1942 130 F 25.4027 1.10546 25.357 -0.00199512 -0.000238017 0.00156153 7
1943 131 H 25.8276 7.5224 31.5428 0.0104319 -0.00917246 0.00800561 7
1944 132 H 26.0121 7.49045 29.1771 0.00521661 -0.00746543 -0.00258443 7
1945 133 H 25.079 5.6347 27.8874 -0.00347815 0.00805529 0.0029818 7
1946 134 H 18.7576 3.2805 31.0239 -0.000328081 -0.00932602 -0.000691132 7
1947 135 H 18.9188 3.25187 28.6203 -0.00993796 -0.00366743 0.0109918 7
1948 136 H 21.128 3.28693 27.496 0.0112574 -0.00258881 -0.00099038 7
1949 137 H 25.8413 -0.908784 31.4011 -0.000235186 -0.00701163 -0.0104553 7
1950 138 H 25.9924 -0.750405 28.9434 -0.00282127 -0.00510103 0.00641132 7
1951 139 H 25.0667 1.08302 27.7892 -0.00161249 0.00785099 -0.0019602 7
1952 140 H 26.8406 5.6012 23.1211 0.00194201 -0.00109043 0.00364445 7
1953 141 H 25.1956 5.64424 25.0174 -0.00498495 -0.00503874 0.01363 7
1954 142 H 26.6732 -0.5859 19.028 0.011805 -0.000775495 0.00563345 7
1955 143 H 26.9437 -0.62597 16.5951 -0.00249156 0.00315741 -0.00758002 7
1956 144 H 27.3187 1.27925 20.377 -0.00467296 0.00457872 0.00123084 7
1957 145 H 33.3965 3.71385 19.6744 0.00410608 0.00473462 0.00394383 7
1958 146 H 33.5622 4.00197 17.1842 -0.00174722 0.00997623 0.00431561 7
1959 147 H 31.1334 3.59091 20.7493 -0.0219316 0.0145174 -4.97222e-05 7
1960 148 H 26.0728 7.64704 19.1694 0.00265117 0.00611826 -0.0061394 7
1961 149 H 26.112 7.60191 16.6418 -0.0128792 0.0043317 0.016217 7
1962 150 H 28.9982 3.69638 15.6749 -0.0150404 -0.00440386 -0.0051746 7
1963 151 H 27.1875 5.94995 20.4714 0.0138318 -0.00196999 -0.00200209 7
1964 152 H 23.3791 3.2397 32.7063 0.0123395 0.0203903 0.00168583 7
1965 153 H 32.783 2.71658 14.965 -0.000235657 -0.00242671 0.000757023 7
1966 154 H 31.0524 2.3651 14.7036 -0.000825753 0.000806715 5.08725e-05 7
1967 155 H 32.6483 3.17307 12.6921 -0.00603299 -0.00662117 -0.00564683 7
1968 156 H 32.2241 4.79542 13.2461 -0.00605413 -0.000357518 -0.00225387 7
1969 157 H 30.2245 4.70542 12.232 -0.00120231 0.002499 0.00885701 7
1970 158 H 29.8425 3.25153 13.1195 0.00277651 -0.0166767 -0.00929771 7
1971 159 H 29.597 2.35383 10.9964 -0.00283065 -1.44717e-05 0.00280293 7
1972 160 H 31.3652 2.02104 11.1821 -0.0001784 0.00187619 0.0088798 7
1973 161 H 32.0001 3.5492 9.66647 0.00567621 0.00236349 -0.00456715 7
1974 162 H 30.5521 4.52014 9.84687 0.00454687 -0.000955939 -0.0115005 7
1975 163 H 29.3584 2.40787 8.65483 -0.000189439 0.00170676 0.0138244 7
1976 164 H 30.9074 1.75246 8.47079 -0.0033629 0.000680762 -0.00439047 7
1977 165 H 31.575 3.97251 7.16294 0.0049651 -0.0119691 0.0127257 7
1978 166 H 29.8286 4.38488 7.27387 0.00117021 0.00359019 0.00255323 7
1979 167 H 29.2021 2.29521 6.12403 0.00206136 -0.00602273 -0.00395498 7
1980 168 H 30.8791 1.88627 5.9925 -0.00367999 -0.00475141 -0.00819657 7
1981 169 H 31.2519 4.15862 4.70432 -0.00321221 0.00587126 -0.00687764 7
1982 170 H 29.5133 4.16975 4.57399 0.00142157 -0.00184494 -0.000700762 7
1983 171 H 29.5892 1.77932 3.71605 0.00253471 0.00454567 0.00107157 7
1984 172 H 31.3304 1.94238 3.55123 0.00249574 0.00924895 -0.00673702 7
1985 173 H 31.0117 3.97415 2.11975 -0.00935121 0.00211855 -0.00910518 7
1986 174 H 29.3171 3.72498 2.09828 -0.00398666 -0.00272365 -0.000397145 7
1987 175 H 29.6513 1.50291 0.949417 -0.00548023 0.0110396 -0.0146816 7
1988 176 H 31.4287 1.63315 1.15735 0.000283624 -0.0040947 -0.00221684 7
1989 177 H 30.4759 2.82988 0.139725 0.00813586 0.00799262 0.00227203 7
1990 178 H 29.2087 -0.314562 15.226 -0.00442916 -0.0103167 -0.00318408 7
1991 179 H 27.6279 -0.478373 14.4245 0.000757958 -0.00029426 -0.00947825 7
1992 180 H 28.4058 1.14948 12.6095 0.00935725 0.0127997 -0.00269113 7
1993 181 H 30.0392 1.11602 13.2928 0.00695491 -0.00822574 0.00751799 7
1994 182 H 30.2829 -1.311 12.9115 -0.0014483 -0.00682831 -0.00630987 7
1995 183 H 28.6158 -1.38843 12.559 -0.0146925 0.0132721 -0.015617 7
1996 184 H 28.7428 -0.573324 10.4696 -0.000712382 0.00336182 0.00412951 7
1997 185 H 30.2919 0.313616 10.6386 0.00305797 -0.00646412 -0.000406739 7
1998 186 H 31.3443 -2.11064 10.9408 -0.000242153 -0.00683552 -0.00870918 7
1999 187 H 29.7559 -2.61534 10.2454 -0.00333376 -0.00188464 0.00132009 7
2000 188 H 31.8565 -0.640262 9.09328 -0.000222099 -0.00152022 0.00540723 7
2001 189 H 31.7281 -2.32826 8.64206 0.000200368 -0.00320944 0.000783336 7
2002 190 H 29.527 -1.99348 7.57471 -0.00192425 -0.00402623 -0.00458233 7
2003 191 H 29.5427 -0.279081 8.04194 -0.00253647 -0.00752346 0.0142487 7
2004 192 H 31.6021 0.114334 6.76766 -0.010099 0.0121661 -0.0143253 7
2005 193 H 31.8263 -1.61328 6.49364 -0.00892313 -0.0116497 -0.0156902 7
2006 194 H 29.4549 -0.0659036 5.30059 0.000766241 0.00280595 2.41539e-06 7
2007 195 H 30.9507 -0.206484 4.54098 -0.00129544 0.00175435 -0.000303812 7
2008 196 H 30.7462 -2.61064 4.60457 0.00145769 0.00573713 0.000702133 7
2009 197 H 29.1623 -2.50639 5.47267 -0.00243218 0.0123861 0.0022072 7
2010 198 H 28.6386 -2.86021 3.17355 -0.00492244 -0.00308122 -0.00453076 7
2011 199 H 28.3206 -1.14022 3.52374 -0.000576544 -0.00423774 0.00562061 7
2012 200 H 30.7263 -2.30294 2.02451 -0.00255042 9.62678e-05 -0.00425519 7
2013 201 H 29.3614 -1.46991 1.35203 0.00357767 -0.00546188 -0.00336087 7
2014 202 H 30.5005 -0.532702 2.39245 0.0281411 -0.00882745 -0.0185415 7
2015 203 H 27.093 3.89644 14.6574 0.000287303 -0.00912372 -0.0188025 7
2016 204 H 25.8498 5.12362 14.4019 -0.00154876 4.25741e-05 0.00313377 7
2017 205 H 26.895 6.16121 12.5657 -0.00356398 -0.000621777 0.0085538 7
2018 206 H 28.4483 5.52603 12.9157 -0.00160334 -0.000539998 -0.00242612 7
2019 207 H 27.5705 3.18447 12.2631 0.0216284 0.00894217 -7.4846e-05 7
2020 208 H 26.0105 3.86226 11.9241 -0.00123336 -0.000170874 0.010103 7
2021 209 H 28.4793 5.07568 10.5427 0.00136433 -0.00134177 -0.0022911 7
2022 210 H 27.7622 3.60375 9.89267 0.0067019 -0.0032909 0.00384564 7
2023 211 H 25.484 4.83034 9.82669 0.00283686 -0.00488592 0.00275045 7
2024 212 H 26.3482 6.33203 10.2254 -0.00109303 0.00189735 0.00286998 7
2025 213 H 27.6642 6.14173 8.17237 0.00355562 -0.00844986 -0.00833614 7
2026 214 H 27.1373 4.49639 7.91356 -0.0138806 9.88431e-05 -0.0143296 7
2027 215 H 24.7894 5.36982 7.31236 0.00496831 -0.00861707 0.0178814 7
2028 216 H 25.2611 6.97632 7.75817 0.0272118 0.0146589 -0.000479593 7
2029 217 H 25.3346 6.73975 5.29852 -0.00359414 0.00223822 0.0105317 7
2030 218 H 26.918 7.11816 5.97292 -0.012837 0.0151078 0.00092279 7
2031 219 H 27.6731 4.85105 5.75823 -0.00167403 -0.00738211 -0.00389018 7
2032 220 H 26.0488 4.24217 5.32394 0.0021143 0.000761108 0.00779947 7
2033 221 H 27.8942 6.05153 3.66043 0.00141056 -0.00135372 -0.0111907 7
2034 222 H 27.5095 4.37867 3.41621 0.011032 0.0160423 -0.0126516 7
2035 223 H 24.9837 5.2172 3.2026 0.013448 -0.00976537 0.00883913 7
2036 224 H 25.7342 6.85066 2.96113 -0.00384933 0.000575462 0.00387528 7
2037 225 H 26.4157 4.40325 1.13426 -0.0263455 -0.00808236 0.00952888 7
2038 226 H 25.2179 5.67313 0.809888 0.000735801 0.000203509 -0.00761845 7
2039 227 H 26.9797 6.07382 1.0368 -0.00575331 0.00347697 -0.00626115 7
2040 228 H 19.0076 4.31037 33.0702 -0.0102652 -0.00811858 -0.000766077 7
2041 229 H 18.8996 2.53188 33.0269 0.0086095 -0.00786707 0.00579314 7
2042 230 H 19.7027 2.1572 35.1075 -0.00892619 -0.00399551 -0.00147707 7
2043 231 H 20.5084 3.69989 35.2837 0.0116597 -0.0230975 0.00343619 7
2044 232 H 18.2654 4.79686 35.3224 0.0051365 -0.0033248 -0.00690916 7
2045 233 H 17.4417 3.25698 35.1879 0.008685 -0.00305932 -0.00554993 7
2046 234 H 18.5975 2.45458 37.2747 -0.00626953 0.0016295 0.00977409 7
2047 235 H 19.4251 4.00738 37.3586 0.000703086 -0.00405124 0.00557999 7
2048 236 H 17.1075 5.117 37.6908 -0.0135189 -0.00496886 -0.0113099 7
2049 237 H 16.4197 3.52039 37.799 -0.00078055 0.00492249 0.00401686 7
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2305 191 H 31.6919 7.10388 6.10177 0.00494464 0.00642183 0.000273513 8
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2309 195 H 29.7486 9.17559 4.87613 -0.0133573 -0.000798288 0.0252909 8
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2326 212 H 34.3231 15.4871 9.83962 -0.00358944 0.00610544 0.0110864 8
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2328 214 H 33.4516 12.7202 8.82135 0.00142654 -0.00287056 -0.00689311 8
2329 215 H 32.9275 14.4841 7.22102 -0.00207796 -0.00139932 0.00816394 8
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2333 219 H 33.2875 13.9427 4.78736 -0.00155474 0.0185873 0.00507196 8
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2340 226 H 35.8154 12.695 1.34372 0.000673898 0.000673446 0.00327055 8
2341 227 H 35.2881 14.0849 0.403616 -0.0052587 0.00151651 0.0037476 8
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2347 233 H 21.3321 10.5918 34.5987 -0.00900921 -0.000833845 0.00402176 8
2348 234 H 20.5485 10.6264 36.9208 0.00404662 0.00555414 -0.0173101 8
2349 235 H 21.1493 9.05811 36.5086 2.81884e-05 -0.00585256 0.00322 8
2350 236 H 23.1663 9.35597 37.9336 0.0157094 0.0125263 0.00710867 8
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2353 239 H 20.8753 8.96874 39.13 -0.0131828 0.00855976 -0.00689286 8
2354 240 H 22.8984 8.90563 40.6111 0.00554044 0.000208769 -0.0102082 8
2355 241 H 22.8048 10.6903 40.701 0.000677434 -0.00320108 0.00893278 8
2356 242 H 20.5 10.4809 41.6152 -0.00327162 -0.00181595 -0.00815013 8
2357 243 H 20.6723 8.73659 41.6034 -0.0243412 0.0101173 0.000296307 8
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2360 246 H 20.1455 10.3116 44.0813 0.0079987 0.0077783 -0.00189393 8
2361 247 H 20.2456 8.5894 44.0277 0.00506817 -0.00770558 0.00145001 8
2362 248 H 20.651 9.19797 46.2905 0.00132939 0.00726914 0.0105613 8
2363 249 H 22.2288 8.70473 45.685 -0.00422547 -0.00180971 0.00615504 8
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2365 251 H 22.2914 10.7848 47.1224 0.000491242 -0.00411895 0.00262588 8
2366 252 H 22.8845 11.0833 45.4607 0.00131178 0.00960444 0.00460015 8
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2369 255 H 27.9947 13.0632 35.5206 0.00139666 0.00424297 -0.0038812 8
2370 256 H 29.7894 13.0432 35.2447 0.00301097 0.00357159 0.0064367 8
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2379 265 H 29.023 16.4028 41.2538 0.00289063 0.00405512 -0.0170851 8
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2381 267 H 30.0153 13.8857 42.6972 -0.000461441 -0.00143425 0.00552545 8
2382 268 H 30.6619 15.5095 42.8779 0.00150174 -0.00175941 -0.00651376 8
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2384 270 H 27.8785 14.5381 43.7286 0.0101143 -0.0151194 0.00595395 8
2385 271 H 29.657 13.8685 45.2704 0.0131156 0.00376165 0.0115706 8
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2399 285 H 29.1778 7.28751 36.9251 0.00209454 0.00453774 0.013979 8
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2401 287 H 30.407 4.9081 38.3191 -0.0203752 -0.0079805 -0.0065348 8
2402 288 H 28.3438 5.55972 39.5061 -0.00787761 0.00966918 -0.0116376 8
2403 289 H 28.7832 7.2168 39.554 -0.00278192 -0.00242424 0.0104895 8
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2405 291 H 30.5331 5.0717 40.8417 -0.0100098 -0.00153411 0.0016662 8
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2407 293 H 28.4287 6.98189 42.003 3.30802e-05 0.00160463 -0.00773783 8
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2409 295 H 30.4068 5.06934 43.5179 0.0026378 0.00257176 0.0135343 8
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2418 2 C 33.2591 6.53174 29.4407 -0.000248201 -0.00761597 0.00383 9
2419 3 C 32.7798 5.41769 28.8078 -0.00432518 0.00010207 0.00191004 9
2420 4 C 32.1459 4.38364 29.5305 0.00724119 0.00383945 -0.00120144 9
2421 5 C 31.9797 4.502 30.9523 -0.00277929 -0.00169616 -0.00170833 9
2422 6 C 32.5243 5.65756 31.6294 0.00159894 0.000619718 -0.00391922 9
2423 7 C 27.505 3.25265 30.402 -0.00897788 -0.00240762 0.00312078 9
2424 8 C 27.7206 3.2148 29.0001 -0.000180224 -0.000741826 -0.00637487 9
2425 9 C 29.0141 3.226 28.4925 -0.00393722 0.000703169 0.00193282 9
2426 10 C 30.1045 3.23039 29.3992 -0.000576944 0.00224196 -0.0013835 9
2427 11 C 29.8945 3.3099 30.7965 2.92665e-05 0.000158459 0.00422837 9
2428 12 C 28.5743 3.26437 31.3322 0.000522231 -0.000941823 0.00138381 9
2429 13 C 33.3415 0.00645981 31.2855 0.00262756 -0.00168393 0.00259089 9
2430 14 C 33.5164 0.00214968 29.9049 0.00264253 0.00128406 -0.000942802 9
2431 15 C 32.9119 0.952708 29.1156 -0.000254111 0.00539623 -0.00387132 9
2432 16 C 32.2245 1.99919 29.7339 -0.000272601 -0.00507912 -0.00293859 9
2433 17 C 31.54 3.13096 28.9271 0.000705877 0.00327444 -0.00474904 9
2434 18 O 32.3014 0.866806 33.2834 0.00319932 0.000444832 0.00381413 9
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2436 20 O 32.4316 5.89668 33.0289 0.00267515 -0.000191043 0.000167836 9
2437 21 C 32.5562 0.99366 31.9219 0.00219526 -0.00340966 -0.00117259 9
2438 22 C 31.8136 3.07158 27.4773 0.00229191 0.00160822 -0.000164394 9
2439 23 C 32.2553 3.02831 26.3534 3.56951e-05 -0.000314803 0.0015424 9
2440 24 C 32.9601 3.03217 25.1241 -0.000549053 -0.000598851 -0.00160528 9
2441 25 C 34.0931 2.19426 24.9734 0.0045032 0.00365068 -0.00468655 9
2442 26 C 34.9831 2.33294 23.863 0.00296145 0.00340193 -0.00106882 9
2443 27 C 34.6817 3.29759 22.902 0.00261072 0.000482898 0.000983561 9
2444 28 C 33.5471 4.10106 23.0282 0.00194294 -0.00338523 -0.000278063 9
2445 29 C 32.725 4.02963 24.1695 -0.00276034 -0.00150892 0.00315233 9
2446 30 C 35.4622 3.4 21.6704 0.00229056 -0.00129999 -0.00121928 9
2447 31 C 36.0029 3.4304 20.5755 0.0018526 0.00222971 -0.000991338 9
2448 32 C 34.7968 0.0945386 18.124 -0.0012554 0.00109632 -0.00516557 9
2449 33 C 35.1778 0.0669001 16.7612 0.00182775 0.00146004 -0.00286745 9
2450 34 C 35.8746 1.18871 16.2058 0.00135997 -0.000849817 -0.00146169 9
2451 35 C 36.1511 2.3004 17.0098 0.000925926 -0.00196095 -0.000511696 9
2452 36 C 35.8673 2.23134 18.3884 -0.000194769 -0.00172527 -0.00117465 9
2453 37 C 35.105 1.16809 18.9421 0.00128729 -0.000663836 -0.00321531 9
2454 38 C 36.3667 3.47189 19.155 0.0038363 0.000646648 0.000104208 9
2455 39 C 40.2489 3.95848 19.2105 -0.00230066 0.00233414 0.00265267 9
2456 40 C 40.4606 4.09842 17.8238 0.00236975 -0.000430799 -0.00346676 9
2457 41 C 39.4228 4.00748 16.9307 -0.00269783 -1.89682e-05 -0.000701273 9
2458 42 C 38.1406 3.62424 17.3859 0.00039114 -0.000646211 0.000885159 9
2459 43 C 37.8833 3.58183 18.8116 -0.00234928 -0.00131981 0.00230072 9
2460 44 C 38.9489 3.73967 19.6962 0.00042664 -0.00321213 -0.00211423 9
2461 45 C 34.6515 6.81397 18.2212 -0.00025316 0.00207754 -0.00309118 9
2462 46 C 34.8289 6.79256 16.816 -0.00483483 -0.00460602 0.00381057 9
2463 47 C 35.5889 5.75937 16.2422 0.000148026 -0.00121388 -0.000832627 9
2464 48 C 36.0518 4.69203 17.0168 0.00380372 -0.00255667 -0.00152851 9
2465 49 C 36.882 3.53536 16.5511 0.00184378 9.10158e-05 -0.00230957 9
2466 50 C 35.7899 4.68415 18.4329 -0.00560802 0.00255409 -0.00325632 9
2467 51 C 35.1025 5.77479 19.0175 0.000235661 0.00121733 0.00542521 9
2468 52 O 39.5377 4.37511 15.5773 -0.000102995 -0.00138611 -0.0014825 9
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2472 56 C 32.0702 2.06035 31.1343 0.00194427 0.00382637 0.00644854 9
2473 57 C 39.5804 3.39534 14.5391 0.000743444 -0.00155788 0.0028969 9
2474 58 C 39.2074 4.12056 13.2632 0.00175971 -0.00131914 0.00203193 9
2475 59 C 38.7327 3.19047 12.1217 -0.000235133 -0.00115354 0.00401178 9
2476 60 C 38.6931 3.87708 10.7533 -0.00392336 0.000612222 -0.00115851 9
2477 61 C 38.372 2.91054 9.57337 -0.000458995 -0.00449046 1.01165e-05 9
2478 62 C 38.3447 3.63093 8.19881 -0.0045629 0.00151011 -0.00377764 9
2479 63 C 37.9255 2.72456 7.02314 -0.00115208 0.00454898 0.00181425 9
2480 64 C 38.02 3.32456 5.57176 -0.00238684 -6.86505e-05 -0.000780058 9
2481 65 C 37.4745 2.34823 4.49618 -0.00204165 0.00141086 -0.00315833 9
2482 66 C 38.3034 2.27215 3.19687 5.49972e-05 0.00149953 -0.00203 9
2483 67 C 38.5447 3.71504 2.62123 0.000607164 -0.000249666 -0.00265107 9
2484 68 C 38.872 3.63355 1.08762 0.0012151 -0.00207299 -0.00319372 9
2485 69 F 36.0622 1.52221 23.7376 0.000387566 -0.000571895 0.00232751 9
2486 70 C 37.3761 0.535875 14.3635 -0.000747128 0.00271665 0.00160307 9
2487 71 C 37.2159 -0.986735 14.1084 -3.80663e-05 -0.00286074 -0.00174795 9
2488 72 C 38.1278 -1.50183 12.9216 8.40556e-05 0.0014096 0.000914941 9
2489 73 C 37.707 -1.05506 11.51 -0.00136247 -0.00225871 -0.000392596 9
2490 74 C 38.5672 -1.79119 10.4265 0.00355361 -0.00258614 -0.000784599 9
2491 75 C 37.9152 -1.73408 9.01759 -0.000512634 0.00133765 -0.00326751 9
2492 76 C 38.3823 -0.550576 8.16051 -0.00204738 -0.000585797 0.00178587 9
2493 77 C 38.8093 -0.86025 6.70799 -0.000392237 0.00239981 -0.00105272 9
2494 78 C 37.6951 -1.33916 5.77794 0.000735787 0.000511895 0.00226662 9
2495 79 C 38.3173 -1.64934 4.40477 0.0060457 -0.000457579 0.000917562 9
2496 80 C 37.3303 -1.68168 3.19303 -0.00127385 -0.000820225 -0.000440796 9
2497 81 C 38.0603 -2.06901 1.90518 -0.00446788 -0.00128871 0.00152634 9
2498 82 C 34.9115 4.65143 14.2396 -0.0010325 0.00132465 0.00239434 9
2499 83 C 35.2379 4.57118 12.7286 0.000590433 0.00306323 -0.00178281 9
2500 84 C 34.7418 5.79764 11.9406 0.000887712 0.0027047 -0.000257068 9
2501 85 C 33.8697 5.53166 10.6586 0.000458099 0.00397506 -0.00124446 9
2502 86 C 34.6082 4.82946 9.46894 0.000637829 0.00296832 -0.00151856 9
2503 87 C 34.1713 5.38262 8.08303 0.0057956 -0.00140654 -0.000436495 9
2504 88 C 34.5908 4.59128 6.83818 -0.000568895 -0.000846984 0.00107196 9
2505 89 C 33.9694 5.28411 5.56547 -0.00306486 0.00172063 0.0070838 9
2506 90 C 34.223 4.51494 4.29927 -0.00144348 0.00311674 -0.0028984 9
2507 91 C 33.6184 5.14443 3.05261 -0.000323849 -0.000505919 0.00300121 9
2508 92 C 33.6999 4.19042 1.80389 0.0021398 -0.000539578 0.00313384 9
2509 93 C 35.1564 3.87912 1.3726 -0.00167229 0.00179405 -0.00133426 9
2510 94 C 26.994 3.54141 33.1892 0.00109887 0.000702267 0.00116627 9
2511 95 C 26.7979 3.30061 34.7035 -0.00821771 -0.000704683 0.00131478 9
2512 96 C 25.3798 3.3698 35.2766 0.00166499 0.000659567 0.000431314 9
2513 97 C 25.3277 2.9573 36.7708 0.00221711 -0.00233758 0.00200225 9
2514 98 C 25.6937 3.97609 37.8458 -0.00446473 -0.00426816 -0.00468587 9
2515 99 C 25.449 3.31409 39.2159 -0.00309579 -0.00337881 -0.000153062 9
2516 100 C 25.6492 4.20291 40.4362 0.0013141 -5.36473e-05 -0.00414268 9
2517 101 C 25.4975 3.31037 41.7183 -0.00193801 -0.00173177 0.000548829 9
2518 102 C 25.8511 3.98163 43.0573 0.00124259 0.00143825 0.00426961 9
2519 103 C 25.5551 3.01123 44.2626 -0.000358628 0.00494992 -0.0035798 9
2520 104 C 25.8905 3.62398 45.6223 -4.90295e-05 0.00298236 0.00323796 9
2521 105 C 25.7178 2.72771 46.8462 0.00324612 0.00533625 -0.00320971 9
2522 106 C 32.9844 7.1424 33.56 -0.000437132 0.00609341 -0.00016684 9
2523 107 C 32.9601 7.33055 35.1212 0.00515573 -0.00299705 0.00157102 9
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2525 109 C 33.8584 9.09355 36.9248 0.00121029 -0.000433496 0.00111734 9
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2527 111 C 33.8637 8.75187 39.4704 -0.000416958 0.00546414 -0.00304695 9
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2530 114 C 34.2802 8.96818 42.8636 -0.000623778 0.000231583 0.00242152 9
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2538 122 C 33.9186 -1.03047 39.0806 -0.0021031 -0.00157507 0.00553128 9
2539 123 C 34.1351 -0.0491571 40.2336 -0.00619118 0.00167428 0.0019733 9
2540 124 C 33.1692 -0.234582 41.4314 0.000315726 -0.00115498 -0.00453623 9
2541 125 C 33.3365 -1.55875 42.2055 -0.00318529 -0.00295304 -9.29513e-07 9
2542 126 C 32.9881 -1.5075 43.7378 -0.000655982 -0.00490511 4.38181e-05 9
2543 127 C 34.0552 -0.814713 44.6196 -0.0038548 9.66637e-05 0.00116551 9
2544 128 C 33.9267 -1.17761 46.1147 0.0058195 0.00275647 -0.00271771 9
2545 129 C 32.6931 -0.561496 46.7949 -0.00312633 0.000130667 0.00309017 9
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2605 189 H 36.821 -1.7196 9.0937 -0.000460245 0.00621906 -0.00344752 9
2606 190 H 37.5932 0.208832 8.09715 -0.00410092 -0.00235131 0.00638739 9
2607 191 H 39.211 -0.0349858 8.66124 -0.00104193 0.00317776 -0.00375063 9
2608 192 H 39.3338 -0.00191691 6.27036 -0.00302416 0.00458825 9.44136e-05 9
2609 193 H 39.5724 -1.64827 6.71393 0.0153948 0.0178014 0.0119956 9
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2614 198 H 36.5653 -2.4411 3.39675 -0.00483937 0.00520464 0.00861487 9
2615 199 H 36.8529 -0.708199 3.02628 -0.00760265 -0.00218043 0.00980794 9
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2621 205 H 36.3259 4.49673 12.6098 4.91864e-05 0.00966012 -0.0108772 9
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2623 207 H 34.1865 6.44286 12.6326 0.00195237 0.00142193 0.00179558 9
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2630 214 H 34.4944 6.42164 7.94367 -0.00189404 0.00192637 0.00658609 9
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2637 221 H 32.5507 5.30692 3.24517 -0.0022791 0.00564595 -0.0130234 9
2638 222 H 34.0613 6.12377 2.83332 0.00227966 0.00100686 0.0150478 9
2639 223 H 33.2673 3.20424 2.01295 -0.00951323 0.00592249 0.00935972 9
2640 224 H 33.1126 4.50827 0.933576 -0.00739344 -0.00606965 0.00753081 9
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2642 226 H 35.2025 3.12976 0.572761 0.00456908 0.00928578 -0.00799084 9
2643 227 H 35.7164 4.76203 1.04054 -0.00263545 0.00411655 0.00322605 9
2644 228 H 26.6932 4.55442 32.8947 -0.00156679 -0.00510023 -0.0161337 9
2645 229 H 26.2966 2.85357 32.6953 -0.00458682 0.00506657 0.00311021 9
2646 230 H 27.0272 2.23535 34.8302 -0.00066714 0.00238043 0.0135072 9
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2649 233 H 24.7276 2.72119 34.6788 -0.00725365 0.0025773 0.00808802 9
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2652 236 H 26.751 4.26767 37.8246 -0.00327964 -0.0070454 0.0146487 9
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2667 251 H 24.6723 2.41734 46.9652 0.00732032 -0.00590338 0.00333969 9
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2669 253 H 34.0661 7.13133 33.378 0.00183227 0.00401842 0.0131691 9
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2675 259 H 34.6856 9.80581 37.0339 0.00149649 -0.00126491 0.00438842 9
2676 260 H 32.9657 9.70254 37.1134 0.00199296 0.00104812 3.16807e-05 9
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2703 287 H 33.6924 -2.03725 39.4529 -0.00326642 -0.00112697 0.00603349 9
2704 288 H 34.0494 0.992482 39.9003 -0.00127138 0.000734113 -0.00221646 9
2705 289 H 35.1758 -0.171916 40.558 -0.0049326 0.00137281 -0.00216271 9
2706 290 H 32.116 -0.117031 41.1476 -0.00273892 -0.0102821 0.00298315 9
2707 291 H 33.4189 0.575235 42.128 -0.0083775 -0.0010094 -0.00160161 9
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2709 293 H 32.7519 -2.35812 41.7337 -0.000954301 0.00324318 -0.0132352 9
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2713 297 H 35.0686 -1.11799 44.3292 -0.00059405 0.00459151 0.00780768 9
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2719 1 C 36.9144 13.5722 31.0413 0.00062632 -0.00317026 0.00256997 10
2720 2 C 37.0314 13.4024 29.6702 0.00219301 0.00217976 0.000477362 10
2721 3 C 36.562 12.2603 29.1032 0.00060966 -0.00350702 0.00131042 10
2722 4 C 35.983 11.2537 29.8395 -0.00191729 -0.00284244 0.000843676 10
2723 5 C 35.8874 11.3811 31.2676 0.00109606 -0.00115205 0.000573061 10
2724 6 C 36.331 12.6019 31.8689 0.00206713 -0.000419424 -0.0030714 10
2725 7 C 31.3512 10.1618 30.8089 -0.00108416 0.00220658 -0.00184912 10
2726 8 C 31.5336 9.98181 29.4421 0.00321952 0.00211134 0.000678603 10
2727 9 C 32.7954 9.88906 28.8958 0.00362866 8.22969e-06 0.00116016 10
2728 10 C 33.8902 9.9735 29.75 0.00184554 -0.00195736 0.00420772 10
2729 11 C 33.7599 10.1064 31.1672 0.00255883 -0.00220362 0.000924177 10
2730 12 C 32.4245 10.2285 31.725 0.00257754 0.00220204 -0.00232973 10
2731 13 C 37.1016 6.70294 31.4724 -0.00295613 0.00127924 -0.00105563 10
2732 14 C 37.2097 6.64999 30.0811 -0.000448922 0.00439296 -0.00232388 10
2733 15 C 36.6867 7.72704 29.3441 0.00300773 0.000655406 0.00435905 10
2734 16 C 36.0395 8.82259 29.9629 0.00355811 -0.00311668 0.000968428 10
2735 17 C 35.3447 9.96075 29.2776 -0.00201467 0.00240243 -0.000365383 10
2736 18 O 36.3339 7.667 33.5051 -0.000115708 -0.000456595 -0.000695055 10
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2738 20 O 36.3807 12.8263 33.2599 0.00012858 0.00157906 -0.00194911 10
2739 21 C 36.4575 7.75164 32.1326 0.00595886 -0.00422437 -0.00185057 10
2740 22 C 35.5689 9.95679 27.8061 -0.00132421 0.000600366 0.00344398 10
2741 23 C 36.0117 9.92548 26.672 -0.0011812 -0.000320939 -0.00201116 10
2742 24 C 36.7556 10.036 25.4651 -0.000803622 0.00351237 0.00147374 10
2743 25 C 36.3979 9.35517 24.2737 -0.00623647 -0.00220366 0.000152175 10
2744 26 C 37.2567 9.34071 23.1749 -0.0024505 -0.00163361 0.00343316 10
2745 27 C 38.4814 10.0452 23.2237 -0.000520672 -0.00249562 0.00223769 10
2746 28 C 38.8353 10.7209 24.3865 -0.0033035 -0.00315455 0.00147711 10
2747 29 C 37.9711 10.7504 25.4796 0.00357278 -0.00372338 0.000572758 10
2748 30 C 39.3142 10.1832 22.0472 5.7936e-05 -0.00559334 0.00218634 10
2749 31 C 39.8678 10.276 20.9963 0.00305303 0.00216962 0.000104382 10
2750 32 C 38.3679 7.09582 18.4674 0.0060528 -0.00078139 0.00275664 10
2751 33 C 38.6255 7.20035 17.0926 -0.000997162 0.00296439 -0.0018842 10
2752 34 C 39.4232 8.21206 16.5446 0.000299468 0.00434081 0.00209577 10
2753 35 C 40.0226 9.10886 17.444 -0.000858921 -0.00240855 -0.00118896 10
2754 36 C 39.7542 9.08914 18.8278 -0.000100268 0.00167216 0.000226333 10
2755 37 C 38.9308 8.0393 19.3607 0.00119791 0.000632519 0.00118669 10
2756 38 C 40.3112 10.2966 19.5942 0.00063367 -0.00206244 -0.0039484 10
2757 39 C 44.2106 10.3279 19.8237 -0.00647554 0.00489844 0.000875079 10
2758 40 C 44.4373 10.3209 18.423 -0.00375923 0.000556405 0.00297258 10
2759 41 C 43.3728 10.3334 17.5174 -0.00168366 -0.00170952 -0.000996502 10
2760 42 C 42.0659 10.3488 17.9523 0.000587733 -0.00125424 -0.00204737 10
2761 43 C 41.7956 10.3478 19.3185 -0.00340826 0.00606745 -0.00146606 10
2762 44 C 42.8498 10.2478 20.2444 0.00130155 0.00118269 0.00245032 10
2763 45 C 38.593 13.6641 18.5834 0.000686331 0.00202506 0.00216893 10
2764 46 C 39.0218 13.6646 17.2351 0.000624059 0.00148639 -0.00214527 10
2765 47 C 39.7348 12.5788 16.6754 -0.000439069 0.00142241 -9.18736e-06 10
2766 48 C 40.0225 11.4865 17.4943 0.00322717 -0.00229209 0.00399266 10
2767 49 C 40.8498 10.2785 17.0282 0.0032083 0.0028004 -0.000536195 10
2768 50 C 39.6706 11.5004 18.8598 0.000534719 -3.99619e-05 -0.00108138 10
2769 51 C 38.9283 12.5583 19.3929 0.00113505 -0.00172589 -0.00310192 10
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2772 54 O 40.0972 12.4614 15.3791 -0.00273652 0.00184471 -0.00299044 10
2773 55 C 35.1388 10.1233 31.9076 0.00272601 0.00125672 -0.00181426 10
2774 56 C 35.9282 8.85164 31.3874 -0.00226795 0.000414742 0.00312743 10
2775 57 C 44.8287 9.74537 15.5555 -0.000117626 -0.000265669 -0.0023541 10
2776 58 C 44.7187 9.9366 14.0255 0.000451469 0.00126949 0.00014135 10
2777 59 C 44.0334 8.76867 13.2969 -0.00141847 -0.00333548 -0.000797716 10
2778 60 C 42.5691 8.96202 12.9546 0.00224051 0.000992031 0.00135539 10
2779 61 C 42.2597 9.8872 11.7796 0.00185113 -0.000207703 0.000523033 10
2780 62 C 42.6782 9.37075 10.3878 -0.0047669 0.00438365 0.00194983 10
2781 63 C 41.9634 10.2154 9.289 -0.000516247 -0.00138965 -0.00315625 10
2782 64 C 42.5666 10.2607 7.87982 -0.00115126 0.00186339 0.00421007 10
2783 65 C 41.453 10.6484 6.86092 0.00170357 0.00112779 0.000447923 10
2784 66 C 41.9789 11.0413 5.45897 0.00337176 -8.71285e-05 -0.00284356 10
2785 67 C 42.3767 9.8244 4.58003 -0.00310851 0.00148936 0.000230782 10
2786 68 C 42.6459 10.3127 3.13842 0.00118859 0.000956792 -0.000999916 10
2787 69 F 36.9077 8.74463 22.0198 0.000111957 -0.000372896 0.00176783 10
2788 70 C 39.0728 7.42244 14.2305 0.00188644 -0.00238508 0.000172423 10
2789 71 C 39.1096 8.0963 12.8332 0.00361487 0.000447784 -0.00203055 10
2790 72 C 38.6751 7.17839 11.6981 0.000220965 -0.00380394 0.00109079 10
2791 73 C 38.5835 7.87789 10.3571 -0.00114383 -0.000940951 -0.00258737 10
2792 74 C 38.2778 6.96924 9.16717 -0.00214999 -0.00251601 0.00183159 10
2793 75 C 38.1891 7.80889 7.87261 -0.00133391 0.000294505 -0.00147105 10
2794 76 C 37.8159 6.98857 6.61016 -0.00200021 -0.00147552 -0.00516078 10
2795 77 C 38.1678 7.75768 5.33777 0.000721714 -0.00612952 0.00212529 10
2796 78 C 38.3078 6.76072 4.13542 -0.00191518 0.00173997 -0.00255069 10
2797 79 C 38.9332 7.4045 2.82425 0.000889494 0.00314868 0.00242131 10
2798 80 C 37.932 8.17076 1.93777 -0.00109558 -0.00223103 0.00180493 10
2799 81 C 36.8435 7.22613 1.38251 -0.000382545 -0.00230907 -0.00169016 10
2800 82 C 40.5118 13.5597 14.6013 0.0029983 -0.00229563 0.00217407 10
2801 83 C 41.0346 13.0877 13.2688 -0.0012244 0.000777226 0.00051336 10
2802 84 C 41.3488 14.3364 12.4664 0.000576336 0.00112333 -0.00294853 10
2803 85 C 41.536 14.1855 10.9307 -0.000531292 -0.00168194 -0.00207623 10
2804 86 C 41.8692 15.4903 10.1906 0.00145985 0.001992 0.00526088 10
2805 87 C 42.2225 15.3068 8.67191 0.00339371 -0.00162069 -0.00216274 10
2806 88 C 41.445 14.2301 7.8561 0.00562265 -0.000556414 5.82371e-05 10
2807 89 C 41.3376 14.522 6.30741 -0.00122469 -0.00156164 -0.000222683 10
2808 90 C 42.6825 14.7157 5.54775 -0.00045322 7.50645e-05 0.00129499 10
2809 91 C 42.5268 14.491 4.00229 -0.00355913 -0.00296673 -0.00599118 10
2810 92 C 41.2805 15.072 3.31757 0.00230101 0.00149028 -0.00127596 10
2811 93 C 41.2088 14.5859 1.83464 0.00274712 -0.000244424 0.00263261 10
2812 94 C 30.7761 10.5039 33.6475 0.00298911 0.00177341 -0.00287763 10
2813 95 C 30.9286 10.5292 35.1942 0.00240918 -0.0010173 0.00276001 10
2814 96 C 29.7582 10.3804 36.1549 -0.00157342 0.00340263 -0.00381141 10
2815 97 C 30.3889 9.99871 37.4932 0.00104742 0.0033217 -0.00182097 10
2816 98 C 29.4128 9.98896 38.7101 -3.35972e-05 -0.000435027 0.000351944 10
2817 99 C 30.2924 9.69224 39.893 -0.00015622 0.00182028 0.00225578 10
2818 100 C 29.5374 9.60924 41.2366 -0.00043648 0.00211732 0.00117125 10
2819 101 C 29.1874 10.9659 41.8629 0.000201352 -0.00491976 0.000508782 10
2820 102 C 29.5676 11.0246 43.3475 -0.000697485 0.00190219 0.00301429 10
2821 103 C 28.6395 10.2204 44.2652 -0.00132296 -0.00300998 0.000572876 10
2822 104 C 28.853 10.5179 45.7596 -0.00318438 -0.00247888 -0.00488825 10
2823 105 C 30.1207 9.93699 46.355 -0.00330278 0.00429629 0.000706283 10
2824 106 C 36.8068 14.1119 33.7499 -0.00125615 0.00371005 0.00086091 10
2825 107 C 36.9031 14.219 35.2519 0.00252443 0.00343297 -0.00106373 10
2826 108 C 37.6583 15.4814 35.7349 0.00225939 -0.0016482 0.00077235 10
2827 109 C 37.4245 15.7985 37.2572 -0.0018484 -0.00131692 0.00345249 10
2828 110 C 37.4273 14.6123 38.2086 0.00203266 -6.15737e-05 -0.0056338 10
2829 111 C 36.7376 14.8768 39.5865 -0.00326646 0.00532034 0.00114128 10
2830 112 C 37.5582 15.7598 40.5526 -0.00432304 0.00175641 -0.00175737 10
2831 113 C 36.8654 15.9241 41.9383 -0.00221766 -0.000876057 0.00262046 10
2832 114 C 36.982 14.6504 42.8631 -0.00235292 0.00079728 0.00363499 10
2833 115 C 36.5199 14.8628 44.3389 0.00319527 -0.00129744 -0.000175636 10
2834 116 C 37.5417 15.574 45.1883 0.0017079 0.00101135 0.00238034 10
2835 117 C 37.2039 15.6593 46.6796 -0.00413235 -3.02216e-05 0.0045674 10
2836 118 C 36.8505 6.54675 34.1976 -0.00210232 0.002207 -0.00729639 10
2837 119 C 36.7612 6.59905 35.7207 -0.00367825 -0.00299935 0.00427028 10
2838 120 C 37.5654 5.54331 36.4737 -0.00323069 0.00564573 0.00490256 10
2839 121 C 37.3684 5.50211 38.0291 0.000450259 0.00265475 0.00361773 10
2840 122 C 38.1043 6.64488 38.7313 -0.00209681 -0.00106061 0.000378247 10
2841 123 C 37.6633 6.9101 40.2115 0.000355477 0.00132834 -0.000962197 10
2842 124 C 37.8911 5.71306 41.1609 -0.0030677 -0.000647607 0.00122851 10
2843 125 C 36.9782 5.67492 42.4118 0.00139294 0.000628991 0.000584038 10
2844 126 C 37.4223 6.55551 43.5695 0.0010008 -0.00396459 -0.0030358 10
2845 127 C 36.7284 6.08832 44.873 0.00138708 -0.00559364 0.00224966 10
2846 128 C 36.8243 7.0384 46.0627 -0.0054183 0.000128488 0.00183686 10
2847 129 C 38.2792 7.11213 46.5365 0.000462254 -0.00166705 -0.00411242 10
2848 130 F 35.2808 8.58736 24.2593 0.00139931 0.00212337 0.00203122 10
2849 131 H 37.1932 14.5637 31.3854 0.00629489 0.000170925 -0.0115865 10
2850 132 H 37.3599 14.1928 29.0018 0.00362235 -0.00290555 -0.00484287 10
2851 133 H 36.6232 12.2137 28.0199 0.007222 0.0129206 0.000974719 10
2852 134 H 30.332 10.2739 31.1667 -0.00186594 -0.00654855 -0.00132051 10
2853 135 H 30.6653 9.95023 28.7906 0.00485132 -0.0098489 -0.000907604 10
2854 136 H 32.9731 9.67492 27.8461 0.00197803 0.0143043 -0.00200771 10
2855 137 H 37.5753 5.8663 31.9774 0.00772151 0.00757641 -0.000615431 10
2856 138 H 37.6931 5.7937 29.6201 -0.000655976 0.000709297 0.00426988 10
2857 139 H 36.7824 7.60478 28.2693 0.0170747 0.00374104 0.00525305 10
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2859 141 H 38.3468 11.2004 26.3938 -0.00559329 0.00699719 -0.000967385 10
2860 142 H 37.6944 6.35742 18.8923 -0.0140541 0.0219584 0.0105321 10
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2862 144 H 38.6884 7.91109 20.4115 0.0105913 0.00625065 0.00401885 10
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2864 146 H 45.4559 10.3781 18.0509 0.00270437 0.0086698 0.0218758 10
2865 147 H 42.5983 10.2494 21.3009 -0.00304106 0.00248184 0.00141963 10
2866 148 H 37.9941 14.4976 18.9385 -0.0024146 -0.000778186 0.00351542 10
2867 149 H 38.8751 14.5691 16.6522 -0.00597757 0.000845528 -0.00146226 10
2868 150 H 41.1362 10.255 15.9695 0.00268088 0.00236624 -0.000668749 10
2869 151 H 38.5933 12.5836 20.4256 0.00310055 -0.0133159 -0.00219859 10
2870 152 H 35.0729 10.2207 32.9982 0.00249125 -4.71923e-05 -0.00171392 10
2871 153 H 45.6523 10.4084 15.8478 -0.00471138 0.00571623 -0.00293594 10
2872 154 H 45.0523 8.72026 15.8758 0.000274397 -0.00218751 -0.00879472 10
2873 155 H 45.7421 10.0563 13.6489 -0.00392539 -0.0010992 -0.0124895 10
2874 156 H 44.1987 10.8707 13.7796 -0.00847431 -0.00282598 0.00347243 10
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2878 160 H 42.1374 7.96438 12.807 0.00428801 -0.000341173 0.00435948 10
2879 161 H 42.7664 10.8443 11.9549 -0.00958674 0.0038462 0.0113575 10
2880 162 H 41.1728 10.0334 11.8027 0.00353854 0.013085 -0.00567787 10
2881 163 H 42.3981 8.31654 10.2711 -0.00386099 0.00385563 0.00457358 10
2882 164 H 43.7491 9.43313 10.1583 -0.00444776 -0.00366511 0.00125288 10
2883 165 H 41.8612 11.2662 9.58698 0.00775024 -0.00567269 0.0147114 10
2884 166 H 40.9342 9.83861 9.24219 0.00292883 -0.0125855 0.0109626 10
2885 167 H 43.0465 9.32948 7.55432 -0.00385407 0.000533392 0.00403681 10
2886 168 H 43.3466 11.0296 7.81929 -0.000346661 0.000792824 0.000880804 10
2887 169 H 40.8336 11.4763 7.22747 -0.00897757 -0.00593889 -0.00159105 10
2888 170 H 40.7638 9.80025 6.76492 0.00635834 -0.00374819 0.0102224 10
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2890 172 H 41.2157 11.6441 4.95141 -0.00321933 -0.00381701 0.00265494 10
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2892 174 H 43.2718 9.33417 4.98228 -0.0042511 0.00278186 0.0043468 10
2893 175 H 43.023 9.50354 2.50084 0.00673062 0.00213064 0.000799341 10
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2899 181 H 40.1471 8.37865 12.6155 0.00145136 0.00505403 -0.00633835 10
2900 182 H 39.4271 6.3873 11.588 -0.00322055 -0.0065553 -0.00266543 10
2901 183 H 37.707 6.71817 11.9316 -0.00286975 -0.00257619 -0.00928006 10
2902 184 H 37.8039 8.6459 10.4333 -0.00462093 -0.0048577 0.00131833 10
2903 185 H 39.5242 8.38493 10.1094 0.00805576 -0.00675198 0.0206814 10
2904 186 H 39.0491 6.19205 9.10017 0.00849423 0.0084996 -0.00334899 10
2905 187 H 37.2923 6.50565 9.29869 -0.00668936 0.00742537 0.00293754 10
2906 188 H 37.4498 8.61379 7.96703 -0.00166227 -0.00113109 0.00807291 10
2907 189 H 39.1515 8.33182 7.81095 0.00224063 -0.00513978 0.00788469 10
2908 190 H 38.3826 6.04951 6.58924 -0.013388 -0.0087244 0.0124015 10
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2910 192 H 37.4047 8.51544 5.12149 0.012484 0.00586424 0.00260691 10
2911 193 H 39.1118 8.30969 5.42473 -0.00282537 -0.00150803 0.011152 10
2912 194 H 39.0039 5.97401 4.4515 0.0095022 0.0125685 -0.000695916 10
2913 195 H 37.3228 6.30987 3.96234 -0.00325389 0.00085167 0.0073513 10
2914 196 H 39.7806 8.04529 3.09758 -0.00263929 0.00799427 0.00199435 10
2915 197 H 39.3016 6.57763 2.20459 0.00372639 -0.00815867 0.019199 10
2916 198 H 37.5083 8.99409 2.52601 0.00071982 0.00547288 -0.00766248 10
2917 199 H 38.4518 8.65246 1.10041 -0.00619217 0.00585762 0.00328409 10
2918 200 H 37.3452 6.43775 0.807889 -0.000778114 -0.00410231 0.000431913 10
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2920 202 H 36.2248 7.78541 0.669953 0.00534757 -0.00780363 -0.0109808 10
2921 203 H 39.6641 14.2389 14.4479 0.00955775 0.00373141 -0.00740334 10
2922 204 H 41.2813 14.1357 15.1299 -0.0103526 0.00820436 0.0101912 10
2923 205 H 41.8761 12.3984 13.4103 -0.00469373 -0.00662006 -0.0148141 10
2924 206 H 40.284 12.4912 12.7356 0.00634345 -0.010149 0.00207462 10
2925 207 H 40.5037 15.0168 12.6287 -0.00526021 -0.00517563 -0.00696818 10
2926 208 H 42.2542 14.8444 12.8208 0.00177527 -0.0110426 0.0112992 10
2927 209 H 42.3083 13.4343 10.7246 0.00803647 0.00534815 0.00450512 10
2928 210 H 40.6596 13.6872 10.4982 -0.000914443 0.0012709 -0.00468199 10
2929 211 H 41.018 16.1792 10.2545 -0.00596432 -0.00684955 0.001772 10
2930 212 H 42.7522 15.9498 10.6516 0.00597783 0.00179533 -0.00315867 10
2931 213 H 42.1577 16.2747 8.15976 -0.00603006 0.00341291 0.00855126 10
2932 214 H 43.244 14.9319 8.53229 0.00433864 0.00271459 -0.00687624 10
2933 215 H 41.9561 13.2772 8.04077 -0.0128717 -0.0110777 -0.00316078 10
2934 216 H 40.433 14.1389 8.26957 0.00751878 -0.00422744 0.00389418 10
2935 217 H 40.8233 13.6702 5.84552 -0.00125717 -0.00451459 0.0052529 10
2936 218 H 40.7211 15.4213 6.18659 -0.00171149 -0.0016214 0.00180112 10
2937 219 H 43.0244 15.7334 5.77317 0.0120439 -0.00210914 -0.00788539 10
2938 220 H 43.4605 14.0438 5.93065 0.00666695 0.00265514 -0.00862228 10
2939 221 H 43.4315 14.8195 3.47601 0.00350943 -0.000498118 0.00771286 10
2940 222 H 42.6063 13.4161 3.79805 -0.00477702 -0.00388736 -0.00158516 10
2941 223 H 40.3601 14.6975 3.78246 0.0102755 0.000137199 0.0133662 10
2942 224 H 41.2659 16.1619 3.44092 -0.00613608 0.00186859 -0.00560968 10
2943 225 H 41.9757 15.0082 1.17356 0.00480014 0.00949181 0.0112631 10
2944 226 H 41.3615 13.4997 1.81891 0.00573703 3.43721e-05 0.0119249 10
2945 227 H 40.2173 14.7642 1.40033 -0.00339614 -0.000147548 0.0166802 10
2946 228 H 30.205 11.3469 33.2392 -0.0122029 -0.0072462 -0.000178134 10
2947 229 H 30.3254 9.55398 33.3346 0.00267935 0.00249675 -0.00462539 10
2948 230 H 31.6463 9.73852 35.4457 0.0028853 -0.00460059 -0.00990843 10
2949 231 H 31.4013 11.4862 35.4474 0.00469354 -0.00385392 0.00920091 10
2950 232 H 29.1805 11.3044 36.2803 -0.0110323 -0.00442984 0.0103953 10
2951 233 H 29.0239 9.62418 35.8511 -0.0101307 0.011432 -0.00313569 10
2952 234 H 30.8192 9.00367 37.3254 0.00158721 0.000631832 0.0157782 10
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2954 236 H 28.9287 10.9683 38.8102 -0.0118502 -0.00695153 0.00693752 10
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3022 2 C 41.3446 6.46875 29.7696 0.00142946 -0.00263325 -0.003972 11
3023 3 C 40.8245 5.38057 29.11 0.00344259 -0.000631927 -0.00145452 11
3024 4 C 40.0686 4.37584 29.7477 0.00028908 0.0014109 -0.00123826 11
3025 5 C 39.8404 4.49329 31.1527 -0.0040798 -0.00124285 0.00386161 11
3026 6 C 40.3283 5.66428 31.8508 0.00108637 -0.00276564 0.000768706 11
3027 7 C 35.3487 3.28224 30.3685 -6.36611e-05 -0.000403279 0.00338516 11
3028 8 C 35.5931 3.14333 28.9656 0.000674998 0.001826 -0.00318714 11
3029 9 C 36.9056 3.11315 28.4814 -0.000792678 -0.0051947 0.00319939 11
3030 10 C 37.9786 3.19296 29.4052 0.00243668 0.000626152 -0.00160007 11
3031 11 C 37.7238 3.27733 30.8274 -0.00136159 0.00242787 -0.00110683 11
3032 12 C 36.4032 3.38727 31.3 -0.00144911 -0.000545192 0.00160515 11
3033 13 C 40.873 -0.189284 31.3418 -0.000351266 -0.000161198 0.000350599 11
3034 14 C 41.1221 -0.160755 29.9644 0.000856377 -0.000867833 -0.000465752 11
3035 15 C 40.6468 0.896116 29.1951 0.000455004 0.00224142 -0.00200288 11
3036 16 C 39.9893 1.97518 29.7929 -0.0014375 -0.00313724 -0.002846 11
3037 17 C 39.436 3.18168 29.061 0.00156037 0.005844 0.00244859 11
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3041 21 C 40.1969 0.862008 31.9628 0.00204775 0.00348996 1.62603e-05 11
3042 22 C 39.8123 3.17636 27.66 -0.0011598 -0.000755402 0.00254555 11
3043 23 C 40.2422 3.21727 26.5178 0.000545522 0.000217061 -0.00204591 11
3044 24 C 41.0199 3.3851 25.3138 0.0011747 0.000957986 -8.64332e-05 11
3045 25 C 40.7267 4.42629 24.3894 -0.00207043 0.00249712 0.000261572 11
3046 26 C 41.5719 4.5567 23.2664 -0.00106991 0.00368952 -0.0015489 11
3047 27 C 42.742 3.73484 23.0865 0.000400985 -0.000523146 4.62522e-05 11
3048 28 C 43.0431 2.79424 24.0755 0.000399098 -0.00206598 -5.3276e-05 11
3049 29 C 42.1943 2.58519 25.1858 0.00230453 0.00242915 0.000688275 11
3050 30 C 43.4962 3.80479 21.8866 0.000406759 0.001083 0.00108747 11
3051 31 C 44.0538 3.81307 20.7974 0.00405884 -0.00309613 0.00458164 11
3052 32 C 42.8027 0.240791 18.7859 0.00132122 -0.000423618 -0.00272771 11
3053 33 C 43.098 0.086439 17.4251 -0.00291317 0.00140319 -0.00101266 11
3054 34 C 43.6858 1.12277 16.7065 -0.0049455 0.000209695 -0.000948851 11
3055 35 C 44.0142 2.30758 17.3858 0.00305876 0.000884417 0.000345303 11
3056 36 C 43.7922 2.43964 18.7562 -0.00369948 0.00577272 -0.000378306 11
3057 37 C 43.2086 1.38616 19.4809 0.00401979 -0.00169283 -0.00367957 11
3058 38 C 44.3581 3.74084 19.3738 -0.00373468 -0.00138273 0.00245218 11
3059 39 C 48.1769 3.72822 19.2311 0.00147816 0.00211509 -0.000376368 11
3060 40 C 48.3856 3.72459 17.8318 0.00080626 -0.00184744 0.00563192 11
3061 41 C 47.256 3.712 16.9448 0.00104484 -0.00326205 0.00180814 11
3062 42 C 45.9933 3.60811 17.5261 0.00870228 0.00136905 0.00114713 11
3063 43 C 45.8178 3.68526 18.943 -0.000660693 0.00576189 0.0028963 11
3064 44 C 46.9053 3.72614 19.8086 -0.000111941 -0.000728365 -0.0020712 11
3065 45 C 42.6014 7.00585 18.0489 -0.000425262 0.00128366 0.000653167 11
3066 46 C 42.8664 6.87905 16.6785 0.000179602 -0.00331136 -0.00335243 11
3067 47 C 43.5836 5.74966 16.2511 0.00255597 0.000229806 0.00220737 11
3068 48 C 43.9757 4.74593 17.1379 0.000351324 0.00458255 0.00149532 11
3069 49 C 44.7046 3.5138 16.7365 0.000363985 -0.0013142 0.000973515 11
3070 50 C 43.7117 4.86741 18.5221 -0.000940224 0.00129727 0.000100263 11
3071 51 C 43.0602 6.02278 18.9773 0.00185371 -0.00189175 0.00450792 11
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3079 59 C 47.0764 2.88817 12.0526 0.00178377 -0.000288639 -0.00184971 11
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3081 61 C 46.7723 2.78231 9.50039 0.00144693 0.00836312 0.000892348 11
3082 62 C 46.2091 3.4053 8.22848 -0.00194918 0.00145008 0.000838059 11
3083 63 C 47.0728 3.02114 7.02269 0.00219408 0.00184766 0.00160297 11
3084 64 C 46.8223 3.73091 5.63988 0.00214101 0.00340693 -0.00413012 11
3085 65 C 45.5879 3.29916 4.8768 -0.00329404 -0.00389405 -0.00403248 11
3086 66 C 45.8443 2.77032 3.43151 0.000591904 0.0018569 0.000957575 11
3087 67 C 46.258 3.82978 2.43064 0.00290628 0.0026337 0.000782909 11
3088 68 C 46.2936 3.31439 1.03128 0.00321468 -0.00452433 2.40261e-06 11
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3092 72 C 45.3592 -1.81943 13.0507 0.00363609 -0.0019271 -0.00298318 11
3093 73 C 46.0308 -2.13641 11.6897 0.00306062 -0.00174388 0.00114633 11
3094 74 C 45.5058 -1.22672 10.5879 -0.0038749 0.00119943 -0.00259705 11
3095 75 C 46.0892 -1.64617 9.22235 0.00290282 0.00300728 -0.00275833 11
3096 76 C 45.4832 -0.856141 8.03969 0.00289805 0.00464709 -0.00112733 11
3097 77 C 45.9485 -1.27354 6.61732 0.00087188 0.0047738 0.00194567 11
3098 78 C 45.0478 -0.497554 5.57659 -0.00300869 -0.00284225 -0.00264209 11
3099 79 C 45.6576 -0.478746 4.17142 -0.00280868 0.000440634 0.000245402 11
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3101 81 C 45.9068 -1.75616 1.99221 0.00323822 -0.000411267 0.00121286 11
3102 82 C 42.7569 5.23588 14.0515 -0.00239972 -0.00321818 -0.00280588 11
3103 83 C 43.3483 5.054 12.6521 0.00189527 0.000105534 -0.00204381 11
3104 84 C 42.416 5.19715 11.4435 0.00107051 0.00147736 -0.00089324 11
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3107 87 C 41.9845 6.57475 8.23237 -0.00122185 0.00189377 1.93219e-06 11
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3109 89 C 42.6073 6.19327 5.78313 0.000719988 -0.000154982 -0.00464969 11
3110 90 C 42.0858 6.13871 4.32085 0.000236929 -0.000973254 0.00148247 11
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3112 92 C 42.7545 6.65792 1.83037 0.00112794 -0.000889141 0.000157775 11
3113 93 C 42.1665 5.31693 1.22096 0.000522914 -0.00399419 0.00160299 11
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3115 95 C 34.5192 3.94423 34.595 -0.000508969 -0.00237753 0.00254793 11
3116 96 C 33.3065 3.31148 35.2617 -0.00401085 -0.0028397 -0.0047974 11
3117 97 C 32.8109 3.83433 36.6372 0.00182583 0.00413688 0.00503434 11
3118 98 C 33.795 3.6696 37.7843 -0.00328336 -0.00155616 0.000165256 11
3119 99 C 33.1947 4.16252 39.0987 0.00566142 -0.00211887 0.000350321 11
3120 100 C 34.0922 4.02407 40.3398 0.00333912 -0.00216386 -0.00138504 11
3121 101 C 33.3015 4.354 41.623 0.0023752 -0.00250318 0.00279607 11
3122 102 C 33.84 3.70532 42.8823 -0.00377592 -0.00460536 0.00143253 11
3123 103 C 33.0606 4.08797 44.1742 -0.000680609 0.00258735 0.000428302 11
3124 104 C 33.6626 3.43908 45.4433 0.00126862 -0.000739357 0.00097754 11
3125 105 C 32.9823 3.90501 46.7359 0.00169639 0.000776617 0.00145907 11
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3129 109 C 41.1698 8.71893 37.4485 1.82857e-05 0.00423412 -0.0015323 11
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3131 111 C 42.2787 8.24766 39.6822 -0.00325123 -0.00269753 -0.00123319 11
3132 112 C 40.9602 8.07886 40.4155 -0.0016972 0.00144434 -1.06227e-05 11
3133 113 C 41.1374 7.91976 41.947 -4.88327e-05 -0.00115976 -0.000665755 11
3134 114 C 41.9097 9.10234 42.5584 -0.00333626 0.00403494 0.00210774 11
3135 115 C 41.8267 9.25153 44.0989 0.000222932 0.000557214 -0.000975886 11
3136 116 C 42.0187 7.94078 44.877 -0.00287827 0.00265832 -0.000408253 11
3137 117 C 41.8756 8.0983 46.3987 -0.000393774 0.000452354 0.00172647 11
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3141 121 C 40.8846 -0.391371 38.0096 0.000249633 -0.00167848 0.00203149 11
3142 122 C 41.4639 -1.30812 39.0605 -0.000735021 -0.000778734 -0.000800692 11
3143 123 C 41.5076 -0.535386 40.3987 0.0022874 0.00113989 -0.000775788 11
3144 124 C 41.8373 -1.38369 41.6416 -0.00082073 -0.00118393 0.00555554 11
3145 125 C 41.3811 -0.619901 42.8894 0.00199736 -0.00316873 0.00445406 11
3146 126 C 41.767 -1.26532 44.2448 0.00288501 -0.00260351 0.000720216 11
3147 127 C 40.9195 -0.762082 45.4581 0.0020323 0.0036611 -0.000694925 11
3148 128 C 41.4534 -1.30592 46.8044 0.00301245 -0.000313621 -8.03239e-05 11
3149 129 C 40.8225 -0.560761 48.0053 0.00257615 0.000224069 0.00116882 11
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3181 161 H 46.719 1.68885 9.43034 0.00206422 0.00835339 0.000574972 11
3182 162 H 47.8275 3.07187 9.57839 0.000830757 0.010219 0.00240882 11
3183 163 H 46.198 4.49933 8.30838 -0.00741687 0.00167152 -0.00278716 11
3184 164 H 45.1463 3.18296 8.07232 -0.00269724 0.00146686 0.00591514 11
3185 165 H 46.9502 1.939 6.891 0.00855282 0.00145267 -0.00101816 11
3186 166 H 48.1196 3.21919 7.28416 0.00410559 -0.00833015 0.00163527 11
3187 167 H 47.7015 3.59614 4.99782 0.00651159 0.00784787 0.000914206 11
3188 168 H 46.7886 4.8157 5.79956 -0.00333167 0.00225175 0.00252648 11
3189 169 H 44.9332 4.17679 4.80876 0.0126757 0.00739113 -0.0126426 11
3190 170 H 45.0661 2.48785 5.39923 -0.00170506 -0.00275283 -0.000686342 11
3191 171 H 44.9189 2.32048 3.05115 0.00759868 -0.00760822 -0.00487638 11
3192 172 H 46.6457 2.02171 3.40148 0.0144329 0.0168131 -0.00345874 11
3193 173 H 47.2094 4.29404 2.71827 -0.000868803 0.01501 -0.0066678 11
3194 174 H 45.5193 4.63971 2.38944 0.00431891 0.00399495 0.00225026 11
3195 175 H 45.2848 3.10373 0.655455 0.00368136 -0.0164223 0.00541769 11
3196 176 H 46.9439 2.44148 0.895016 0.00515429 -0.000200704 -0.0187868 11
3197 177 H 46.782 4.08122 0.417373 0.00492562 0.000834294 0.00805219 11
3198 178 H 44.8615 -0.953575 15.6236 0.000254292 0.0142571 0.00614087 11
3199 179 H 43.3532 -0.900837 14.7215 -0.0039094 0.00261653 0.00423367 11
3200 180 H 44.5642 0.242883 12.7396 0.00278731 0.00761442 -0.00129414 11
3201 181 H 45.9679 0.242397 13.7651 0.000726362 -0.00253293 0.00273476 11
3202 182 H 45.8173 -2.42662 13.8412 -0.00473524 0.00566921 0.00771248 11
3203 183 H 44.3684 -2.28736 12.9967 0.000285984 0.00479794 0.000216243 11
3204 184 H 47.1258 -2.08605 11.7325 0.00365236 -0.0043508 -0.0107328 11
3205 185 H 45.8427 -3.1493 11.3128 -0.00905806 0.000145974 0.00218659 11
3206 186 H 44.4116 -1.28591 10.5369 -0.00317079 -0.00515852 -0.0104791 11
3207 187 H 45.789 -0.18128 10.7619 0.00244256 0.0010822 -0.0120904 11
3208 188 H 47.1837 -1.57111 9.2254 0.00289476 0.00348904 -0.0115434 11
3209 189 H 45.8745 -2.71375 9.0897 -0.0113439 0.00438453 0.00916634 11
3210 190 H 44.4024 -1.03784 8.0872 0.00283099 0.00453534 -0.00307076 11
3211 191 H 45.6163 0.229703 8.12115 0.00285191 0.00514088 -0.00748041 11
3212 192 H 46.9976 -1.00045 6.44909 0.00263576 -0.00655248 -0.0054486 11
3213 193 H 45.849 -2.36288 6.53456 0.00235229 0.00395341 0.0108089 11
3214 194 H 44.0188 -0.87373 5.52102 -0.00447255 -0.00076314 0.0105665 11
3215 195 H 44.9815 0.545298 5.91048 -0.00354961 -0.00193524 -0.00558127 11
3216 196 H 45.1017 0.214873 3.52858 -0.00695526 0.00236591 0.00591784 11
3217 197 H 46.6374 0.0109471 4.23214 0.00772928 -0.01899 -0.0129235 11
3218 198 H 46.8125 -2.35911 3.82776 -0.00210129 0.00602664 0.00496182 11
3219 199 H 45.0793 -2.5832 3.81696 -0.01248 0.00681477 -0.0145068 11
3220 200 H 46.7788 -1.19075 1.64116 0.00454159 -0.00277674 0.000643075 11
3221 201 H 45.9454 -2.73877 1.50601 -0.00328319 -0.00390983 0.00778055 11
3222 202 H 45.0516 -1.1943 1.59668 -0.00824203 -0.00813828 0.015139 11
3223 203 H 42.3469 4.30976 14.473 -0.00656114 0.00289418 0.00662439 11
3224 204 H 41.9917 6.02191 14.0514 -0.000955554 -0.00181754 -0.0135718 11
3225 205 H 44.2428 5.68156 12.5555 0.00713636 -0.00358056 0.0221918 11
3226 206 H 43.7646 4.03939 12.6268 0.00767585 0.00224572 0.0069415 11
3227 207 H 41.7473 4.33209 11.3544 0.00424491 -0.00142301 0.00351652 11
3228 208 H 41.7923 6.08196 11.6213 0.0044241 0.00341582 0.00124823 11
3229 209 H 43.8089 6.26863 10.153 0.00558882 -0.00174065 -0.00737988 11
3230 210 H 43.9862 4.55347 10.0588 -0.00865974 -0.0141383 0.0107218 11
3231 211 H 43.0433 4.71165 8.1652 0.0135156 0.00597233 0.00802711 11
3232 212 H 41.501 4.59925 8.95265 -0.00376756 0.00396625 -0.00389914 11
3233 213 H 41.1983 7.04246 8.83769 -0.00748402 0.0068446 -0.0119605 11
3234 214 H 42.8518 7.24545 8.27006 0.00543136 -0.00721667 0.00938534 11
3235 215 H 40.7755 5.56257 6.73778 -0.00581822 0.00311033 0.00724915 11
3236 216 H 40.9862 7.3177 6.48299 0.00924314 0.0135067 0.00940197 11
3237 217 H 43.2917 7.04985 5.81984 -0.00517472 0.00449496 -0.00345889 11
3238 218 H 43.2224 5.31101 5.99922 -0.00614256 -0.00250653 0.00523643 11
3239 219 H 41.6044 5.18396 4.07553 -0.00549132 0.00371071 -0.00552918 11
3240 220 H 41.3456 6.93712 4.18646 0.00240435 0.00217983 0.00825786 11
3241 221 H 43.7199 7.4028 3.60556 0.0126171 -0.0096901 0.000594204 11
3242 222 H 43.9467 5.64842 3.35513 -0.00889918 -0.00734744 -0.00414555 11
3243 223 H 41.9819 7.43167 1.74196 0.00540813 0.00353597 0.00154945 11
3244 224 H 43.6238 7.03382 1.2767 0.00506662 -0.00856082 0.00113942 11
3245 225 H 41.8544 5.40482 0.172949 -0.00246793 0.00940558 0.00363499 11
3246 226 H 42.9313 4.53075 1.23968 -0.00568087 -0.0100552 0.000276413 11
3247 227 H 41.2585 4.96144 1.72354 -0.00498775 0.00484146 -0.00208814 11
3248 228 H 34.0403 4.01653 32.5407 -0.0103685 -0.00446166 -0.00603184 11
3249 229 H 34.3942 2.39328 33.1358 0.00753989 0.00163699 -0.00745421 11
3250 230 H 35.3811 3.80726 35.2596 -0.00758907 -0.00593506 0.0110093 11
3251 231 H 34.3712 5.0312 34.5938 -0.00172491 -0.00255612 -0.00245974 11
3252 232 H 32.4335 3.31636 34.5974 -0.006045 0.000275796 -0.00210328 11
3253 233 H 33.5975 2.25752 35.3508 0.00378829 0.00025163 0.00608168 11
3254 234 H 32.3947 4.84791 36.5835 -0.00676303 0.000566971 0.00385211 11
3255 235 H 31.9491 3.21769 36.921 0.000102004 0.00587433 0.00356679 11
3256 236 H 34.0587 2.61133 37.9023 -0.00646833 -0.00280141 -0.0039255 11
3257 237 H 34.7425 4.18516 37.5849 -0.00424021 -0.00519864 -0.0137599 11
3258 238 H 32.9433 5.22138 38.9609 -0.00966963 -0.00552247 0.00217316 11
3259 239 H 32.2394 3.6413 39.2365 0.00278549 0.00107123 -0.00743627 11
3260 240 H 34.5289 3.01781 40.3511 -0.00747618 -0.00678577 0.00346076 11
3261 241 H 34.9416 4.70541 40.207 -0.00464909 0.00704344 -0.00526753 11
3262 242 H 33.2841 5.44577 41.7286 0.00616493 -0.00221798 0.000525832 11
3263 243 H 32.2642 4.02651 41.481 0.0012448 0.000168833 0.00490103 11
3264 244 H 33.8863 2.61346 42.7868 0.000128459 -0.00424558 -0.000789252 11
3265 245 H 34.8665 4.06324 43.0292 -0.00259511 -0.00548247 -0.00471637 11
3266 246 H 32.9927 5.17358 44.3165 -0.00311534 0.00175388 0.0056564 11
3267 247 H 32.0494 3.70867 43.9819 0.00501142 -0.0152697 0.00567851 11
3268 248 H 33.5969 2.3497 45.3322 -0.0156493 0.000661885 -0.00289923 11
3269 249 H 34.7123 3.74247 45.5409 0.0018773 -8.30508e-05 -0.00768439 11
3270 250 H 33.5156 3.41556 47.5601 -0.00401502 0.00821364 0.00955201 11
3271 251 H 33.019 4.99022 46.892 -0.0120367 0.00189978 -0.00312862 11
3272 252 H 31.9424 3.55556 46.7359 0.000495358 0.00433862 -0.00678459 11
3273 253 H 41.8602 6.88264 33.6779 -0.00386987 -0.017636 0.0014161 11
3274 254 H 40.4257 7.88179 33.3711 -0.000330738 -0.00204655 -0.00226303 11
3275 255 H 39.486 7.37207 35.5914 -0.00183839 -0.017278 0.00888939 11
3276 256 H 40.9267 6.36579 36.0183 0.0147448 0.0095757 0.0108595 11
3277 257 H 42.2823 8.58348 35.4899 0.00343825 -0.0062652 0.00074062 11
3278 258 H 40.7059 9.33519 35.415 0.0054024 -0.000221361 -0.00933389 11
3279 259 H 41.3561 9.76892 37.7059 0.00498268 0.00258262 0.00161769 11
3280 260 H 40.1486 8.48972 37.7771 -0.000958135 -0.00320322 -0.00973216 11
3281 261 H 41.9397 6.8394 38.0546 -0.00906846 0.00191646 -0.00557562 11
3282 262 H 43.1335 8.07892 37.6782 0.00511614 -0.00737845 0.0066245 11
3283 263 H 43.0221 7.53288 40.0561 -0.0066652 -0.0142418 -0.0164179 11
3284 264 H 42.6837 9.25431 39.8434 -0.0124241 -0.000242757 0.00646448 11
3285 265 H 40.3197 8.947 40.2164 -0.00610025 0.00110359 0.0126222 11
3286 266 H 40.4619 7.15136 40.1075 0.00381596 -0.00354329 0.00605425 11
3287 267 H 40.1163 7.86891 42.3445 0.00406211 -0.00150746 0.00979933 11
3288 268 H 41.6438 6.98745 42.2259 0.00800251 0.00279503 -0.00208064 11
3289 269 H 42.9828 9.00714 42.3513 -0.00224655 0.0134883 0.00331625 11
3290 270 H 41.6497 10.0667 42.1047 0.000251165 0.00518913 0.00248723 11
3291 271 H 42.519 10.0394 44.4205 0.00384976 -0.00117319 -0.00454224 11
3292 272 H 40.8085 9.62035 44.2736 -0.00271073 -0.0100564 0.00429026 11
3293 273 H 41.2948 7.18023 44.5594 0.00597727 -0.00140642 -0.0107616 11
3294 274 H 43.0705 7.69901 44.6802 -0.00241629 0.00832191 -0.00499756 11
3295 275 H 40.9023 8.50997 46.6932 0.00235317 -0.00115844 0.013083 11
3296 276 H 41.9976 7.11998 46.8797 0.00531116 0.00332074 0.00610867 11
3297 277 H 42.6199 8.78577 46.819 -0.00770793 3.43919e-05 0.0154033 11
3298 278 H 39.4863 -1.12633 34.0159 -0.00166986 0.000558616 0.00033244 11
3299 279 H 41.2463 -0.835734 33.8955 -0.00297589 -0.00324985 -0.00514878 11
3300 280 H 39.3089 0.387361 35.8511 0.00213121 -0.0173852 0.0235036 11
3301 281 H 41.0083 0.864757 35.7341 -0.00296613 0.00318014 -0.00447783 11
3302 282 H 41.7746 -1.43713 36.3406 0.00459627 0.00635245 0.00349074 11
3303 283 H 40.0626 -1.88574 36.6194 0.00182477 -0.00307018 0.00626124 11
3304 284 H 39.8682 -0.0810252 38.2818 -0.000551216 0.0022917 -0.00543311 11
3305 285 H 41.5123 0.503627 37.918 -0.00130562 -0.000920875 -0.00126923 11
3306 286 H 42.441 -1.57548 38.6397 0.00153316 0.0136841 -0.00476372 11
3307 287 H 40.8871 -2.23781 39.1409 -0.00619269 0.00416325 0.0169852 11
3308 288 H 40.5256 -0.068115 40.5426 0.00726768 0.00491519 0.0208773 11
3309 289 H 42.2028 0.310298 40.3288 -0.00239399 0.00512807 0.000887556 11
3310 290 H 42.9042 -1.63224 41.6998 -0.00178319 -0.00438473 0.00955192 11
3311 291 H 41.2383 -2.30112 41.5877 0.01578 -0.011326 -0.00563319 11
3312 292 H 40.2885 -0.562762 42.8095 0.00186656 -0.0100095 0.00123758 11
3313 293 H 41.7559 0.410392 42.9272 0.00716647 -0.00467462 -0.00635175 11
3314 294 H 42.8212 -1.03365 44.4409 0.007501 -0.00768927 -0.0181262 11
3315 295 H 41.6413 -2.35247 44.1693 0.0154222 -0.00447459 0.00698987 11
3316 296 H 39.8588 -1.01093 45.3304 -0.00173057 0.0103006 0.0176091 11
3317 297 H 40.9271 0.334482 45.4881 -0.0013079 0.00401766 -0.0128227 11
3318 298 H 42.5434 -1.18526 46.8333 0.00246131 0.00622294 -0.00653329 11
3319 299 H 41.255 -2.38232 46.8779 0.000859097 0.000556153 0.00681258 11
3320 300 H 41.142 -0.969501 48.9718 -0.00862895 -0.00178889 0.00402353 11
3321 301 H 39.7285 -0.582791 47.9277 0.00309255 -0.0115344 -0.00266804 11
3322 302 H 41.0926 0.50175 48.0442 0.005885 -0.00111503 0.0151995 11
3323 1 C 44.8273 13.6457 31.1004 -0.00317527 0.00101583 -0.000398535 12
3324 2 C 44.9745 13.5421 29.7256 0.00431746 -0.00327093 -0.00302442 12
3325 3 C 44.5245 12.4059 29.0536 -0.0042452 0.00331196 -0.000139811 12
3326 4 C 43.911 11.3476 29.7794 -0.00329498 -0.00114767 0.00136864 12
3327 5 C 43.7525 11.4608 31.1741 0.000577655 -0.000766013 -0.000202323 12
3328 6 C 44.1889 12.6305 31.8453 -0.0013089 0.00114588 -0.0024919 12
3329 7 C 39.3279 10.2738 30.74 -0.00296423 -0.00141627 0.000187913 12
3330 8 C 39.4371 10.1858 29.3318 -0.00194651 0.000160967 -0.00181341 12
3331 9 C 40.7242 10.1078 28.7563 -0.00480962 0.00186122 -0.0012777 12
3332 10 C 41.8448 10.1084 29.6147 -0.000794296 0.00166501 -0.00152904 12
3333 11 C 41.721 10.149 31.0224 -0.00466902 -0.000468018 0.00274184 12
3334 12 C 40.448 10.2992 31.5752 -0.00356918 0.000702548 0.000377815 12
3335 13 C 44.885 6.77468 31.364 -0.0039271 -0.0038751 -0.00366722 12
3336 14 C 45.1148 6.80735 30.007 -0.000444088 0.000413655 -0.0025891 12
3337 15 C 44.6496 7.88809 29.2211 0.00352965 0.00106719 0.00194387 12
3338 16 C 43.9282 8.92654 29.8596 0.00125314 0.00296339 0.00182075 12
3339 17 C 43.2809 10.1223 29.1366 -0.00246937 0.004182 0.00109352 12
3340 18 O 43.9798 7.73382 33.398 0.00506469 -0.00389612 0.000717369 12
3341 19 O 40.3353 10.3948 32.9198 -0.0023831 0.00525029 0.0015505 12
3342 20 O 44.1024 12.78 33.2357 0.00352648 -0.00126165 0.0015146 12
3343 21 C 44.2369 7.84949 32.0126 -0.000559232 -0.00081106 0.000967452 12
3344 22 C 43.5194 10.0732 27.6797 -0.00171365 0.00289424 -0.000182467 12
3345 23 C 43.9334 10.1169 26.5476 -0.00591569 -0.00244099 0.00103488 12
3346 24 C 44.6799 10.1784 25.3539 0.00142662 -0.000892691 0.000958452 12
3347 25 C 44.5508 11.2641 24.4565 0.00160216 0.00575303 -0.000350875 12
3348 26 C 45.4465 11.3403 23.3643 -0.0018927 0.000856679 -0.000403 12
3349 27 C 46.5464 10.4666 23.2745 -0.00109107 0.00586544 -0.00511551 12
3350 28 C 46.6706 9.37585 24.156 -0.000437168 -0.00198217 -0.00260207 12
3351 29 C 45.7327 9.25541 25.1973 0.00240466 -0.000382236 0.000267974 12
3352 30 C 47.336 10.5263 22.1219 -0.000592207 -2.1309e-05 -0.00281487 12
3353 31 C 47.8833 10.5807 21.0548 -0.00198408 0.00385454 0.000617375 12
3354 32 C 46.4259 7.21879 18.7817 0.0023268 0.00111436 -0.00283777 12
3355 33 C 46.7343 7.16257 17.4129 0.000263432 -0.00280614 -0.00222216 12
3356 34 C 47.4545 8.18632 16.7742 0.00265507 -0.00113097 -0.00145013 12
3357 35 C 47.9071 9.25037 17.5507 0.00637351 0.000620673 0.00370853 12
3358 36 C 47.6286 9.30093 18.9272 -9.64381e-05 -0.00172472 0.00157361 12
3359 37 C 46.8007 8.30964 19.5503 -0.00511735 0.000297604 -0.00126876 12
3360 38 C 48.2222 10.5767 19.638 0.00129343 0.000599432 0.00252254 12
3361 39 C 52.0862 10.6231 19.5589 -0.0012811 -0.00363719 0.00552411 12
3362 40 C 52.2989 10.4724 18.1698 0.000948713 -0.000414026 0.00175564 12
3363 41 C 51.1951 10.476 17.3086 0.000890824 -0.0020328 0.00104108 12
3364 42 C 49.905 10.5187 17.8656 -0.00460425 0.00600305 -0.00255389 12
3365 43 C 49.7084 10.5982 19.2584 -0.00401632 -9.42743e-05 0.00255535 12
3366 44 C 50.82 10.7603 20.1247 -0.00229685 0.00319696 -0.00371267 12
3367 45 C 46.5288 13.8456 18.5389 0.00379508 -0.000295061 -0.00143247 12
3368 46 C 46.7562 13.7784 17.1468 -0.000723983 -0.00411429 0.00251116 12
3369 47 C 47.461 12.6864 16.6049 0.000621221 -0.00059691 0.00105095 12
3370 48 C 47.8831 11.6668 17.4522 0.000328695 -0.00013803 -0.00307586 12
3371 49 C 48.6734 10.4667 16.9993 -0.00248602 -0.00191493 0.00496277 12
3372 50 C 47.5794 11.7078 18.8147 0.0024905 0.00296395 -0.000165396 12
3373 51 C 46.9148 12.8009 19.3686 6.28563e-05 -0.008257 0.00101558 12
3374 52 O 51.3567 10.5015 15.9519 0.00172673 0.000541206 -0.000239906 12
3375 53 O 47.6987 8.14854 15.4236 -0.0035703 -0.00500074 0.000354576 12
3376 54 O 47.6395 12.5763 15.2489 0.00161557 -0.00117593 0.000319045 12
3377 55 C 43.0681 10.2125 31.7691 -0.00338412 0.000406035 0.00305991 12
3378 56 C 43.7743 8.94133 31.2484 0.00151555 -0.000413897 -0.00108846 12
3379 57 C 52.4487 9.87534 15.2423 0.000132967 0.000539129 -0.00204527 12
3380 58 C 51.9908 9.54165 13.7553 -0.00425822 0.00263402 -0.00128316 12
3381 59 C 50.6033 10.0207 13.3349 -0.00373644 0.00042928 -9.08777e-05 12
3382 60 C 50.1472 9.51479 11.9651 -0.00386148 -0.00204935 0.00198459 12
3383 61 C 50.6685 10.2541 10.7208 -0.00102564 0.00234017 0.000974871 12
3384 62 C 49.9936 9.70032 9.47266 0.00295387 0.00446919 0.00200585 12
3385 63 C 50.701 10.1393 8.18963 0.00161392 -0.0027038 -0.00272891 12
3386 64 C 49.9631 9.64732 6.93997 -0.00226379 0.00220645 0.0034711 12
3387 65 C 50.7057 9.9157 5.58521 -0.00251668 -0.00175758 -0.000330837 12
3388 66 C 49.8524 9.63581 4.32392 -0.00107024 -0.000314766 0.0035861 12
3389 67 C 50.6049 9.89505 3.02701 -0.0048465 -0.00224232 0.00301866 12
3390 68 C 49.7013 9.83276 1.76118 0.00401908 -0.00137841 -0.00159766 12
3391 69 F 45.2445 12.2923 22.4012 -0.000136644 7.79724e-06 -0.00170632 12
3392 70 C 47.1177 7.18489 14.5171 0.00106001 0.00101566 0.00109717 12
3393 71 C 47.6055 7.64845 13.1385 0.00307966 -0.00225802 0.00262903 12
3394 72 C 46.9515 6.96271 11.9111 0.00280916 -0.00160245 0.00228844 12
3395 73 C 47.4174 7.62866 10.6128 -0.00220625 -0.000142034 0.00146918 12
3396 74 C 46.4271 7.32571 9.5122 -0.00274895 -0.00340738 0.00148707 12
3397 75 C 46.9286 7.76104 8.10336 0.00163554 0.0048372 -0.00382806 12
3398 76 C 45.8391 7.35533 7.06959 -0.000909553 -0.00604542 0.00691521 12
3399 77 C 46.2406 7.43329 5.569 -0.000563153 0.0035924 -0.00110045 12
3400 78 C 46.2673 8.8372 4.984 1.27605e-05 -0.0027313 0.00368267 12
3401 79 C 46.2734 8.91545 3.39814 -0.0032236 0.000855913 0.00433991 12
3402 80 C 46.8413 7.72613 2.62575 -0.00145261 -0.000852651 -0.0010199 12
3403 81 C 46.6836 7.90809 1.10086 0.00253412 -0.000601209 -0.00306072 12
3404 82 C 48.7883 13.0087 14.5478 9.76276e-05 -0.000399508 -0.00554396 12
3405 83 C 48.4641 13.1146 13.0525 -0.00165361 -0.00170523 0.000546973 12
3406 84 C 49.5892 13.6035 12.1124 0.00204394 0.00260432 -0.00150927 12
3407 85 C 49.1973 13.5579 10.6173 -0.00370986 -0.00321171 0.000128115 12
3408 86 C 50.4021 14.0442 9.75689 0.00187329 -0.00272941 0.00350431 12
3409 87 C 50.0309 14.7165 8.40296 -0.0023184 -0.00210019 0.00108963 12
3410 88 C 50.0703 13.7547 7.20834 0.00296672 0.00101757 -0.000570354 12
3411 89 C 49.9718 14.4419 5.82208 -0.00426469 -0.00131639 0.00134804 12
3412 90 C 50.2352 13.5025 4.6522 0.00338244 -0.00269097 0.00554785 12
3413 91 C 50.1345 14.2779 3.32801 -0.000258814 0.000220526 0.00521635 12
3414 92 C 50.3238 13.3975 2.09432 0.00334354 -0.00167211 0.00416239 12
3415 93 C 49.9662 14.1623 0.818901 0.00343414 0.00357826 0.00450331 12
3416 94 C 39.2654 11.0135 33.6033 -0.0015718 0.000377168 -0.00326923 12
3417 95 C 38.2102 10.0174 33.936 -0.000425648 -0.000491122 -0.000720474 12
3418 96 C 37.3929 10.4104 35.1764 -0.000664351 -0.00399116 -0.0033275 12
3419 97 C 38.1282 10.2785 36.5312 0.000592666 -0.00306264 0.00126285 12
3420 98 C 37.4437 10.9665 37.7281 -0.00155334 -0.000445268 0.000917349 12
3421 99 C 37.6595 10.2403 39.0599 -0.00383462 -3.18616e-05 0.00220101 12
3422 100 C 37.3883 11.0858 40.3258 0.00183495 -0.00254255 0.00755128 12
3423 101 C 37.7006 10.3281 41.6352 0.00234942 0.00155074 -0.00015722 12
3424 102 C 37.349 11.1746 42.8498 0.000538076 0.00371782 -0.00110026 12
3425 103 C 37.5379 10.433 44.2005 -0.00336578 -0.000623308 -0.00909089 12
3426 104 C 37.2499 11.351 45.3963 -0.00347694 -0.00128662 -0.00478721 12
3427 105 C 37.6658 10.7184 46.729 -0.00362682 -0.000162476 -0.00144936 12
3428 106 C 45.0103 13.7393 33.8758 0.00442024 4.05793e-05 -0.000562485 12
3429 107 C 44.7382 13.9149 35.3734 -0.00192268 0.00153112 0.000193808 12
3430 108 C 45.8271 14.7656 36.0078 -0.00559888 0.00105445 -0.00465501 12
3431 109 C 46.0876 14.4476 37.4749 0.0005562 -0.00468676 -0.00264594 12
3432 110 C 45.125 15.0096 38.485 -0.00474159 -0.00285151 0.0023665 12
3433 111 C 45.5821 14.6691 39.9297 0.00195127 -0.000429591 -0.00298107 12
3434 112 C 44.6342 15.2696 41.0107 0.00203756 0.00141184 -0.00480105 12
3435 113 C 45.2259 15.2286 42.4407 -0.00267215 0.00125326 0.00233079 12
3436 114 C 45.3456 13.8619 43.1058 -0.00237694 -0.00532945 0.000762871 12
3437 115 C 44.9704 13.831 44.5974 0.00123151 -0.00138355 0.00509962 12
3438 116 C 46.013 14.3998 45.5914 0.000342381 -0.000599725 0.000131788 12
3439 117 C 46.0008 15.9481 45.6237 0.0011421 0.000488531 -0.00411755 12
3440 118 C 44.831 6.84379 34.1999 -0.00112347 0.000885013 0.000642473 12
3441 119 C 44.444 6.63111 35.7236 0.00239594 -0.00148002 0.00276854 12
3442 120 C 45.1137 5.39521 36.4417 -0.00135238 0.000187473 0.00361009 12
3443 121 C 45.1752 5.63435 37.982 0.00318341 -0.00252411 -0.00316704 12
3444 122 C 45.6139 4.36036 38.7621 -0.00259162 -0.00159088 0.00367953 12
3445 123 C 46.5437 4.66336 39.9888 0.0023642 -0.00169767 0.00201209 12
3446 124 C 45.9045 5.67633 40.9513 -0.00192868 0.0019138 0.0020297 12
3447 125 C 44.7573 5.12038 41.8149 -0.00182545 -0.00188358 0.00259163 12
3448 126 C 44.3261 6.03556 42.9596 -0.000361366 -0.00101057 -0.00062626 12
3449 127 C 45.3048 6.12176 44.1198 0.00238387 -0.00302539 -0.000210946 12
3450 128 C 45.1404 5.05008 45.2669 -0.000356173 0.000628744 0.00647565 12
3451 129 C 44.1878 5.53257 46.3777 0.00114778 -0.00213025 -0.000433471 12
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3455 133 H 44.5712 12.435 27.969 0.00852608 -0.0229111 -0.000252122 12
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3470 148 H 46.0306 14.7115 18.9647 0.00197855 0.00353669 -0.0113319 12
3471 149 H 46.4339 14.5723 16.4795 -0.00663178 0.00144179 0.0120144 12
3472 150 H 48.8722 10.4729 15.9205 -0.0175946 -0.0186784 0.00210624 12
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3487 165 H 51.7043 9.70219 8.26447 0.00303615 0.00160857 0.00348255 12
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3490 168 H 49.7694 8.56858 6.9872 -0.0055438 0.00316876 0.0117064 12
3491 169 H 51.5912 9.2686 5.56219 0.00670863 0.0106037 0.00652548 12
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3493 171 H 48.9838 10.305 4.35673 -0.00631888 -0.00669761 -0.00548272 12
3494 172 H 49.5178 8.59185 4.28456 0.00908734 -0.00361682 0.00460355 12
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3496 174 H 51.0958 10.876 3.01732 0.00994994 -0.00967279 0.000123126 12
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3498 176 H 49.5698 8.80222 1.40887 0.00830727 0.00102767 -0.0103049 12
3499 177 H 50.1826 10.3272 0.908419 0.00105884 0.00524525 0.000578699 12
3500 178 H 47.3987 6.15211 14.7576 -0.00161147 0.00560937 0.024014 12
3501 179 H 46.0265 7.28669 14.5654 0.00135696 0.00830022 -0.00734754 12
3502 180 H 47.4376 8.72838 13.0438 -0.00704179 -0.00499398 -0.0108067 12
3503 181 H 48.6836 7.44572 13.142 0.0012711 -0.0121143 -0.0151241 12
3504 182 H 47.2582 5.90947 11.9151 -0.0181312 -0.00772799 -0.00972528 12
3505 183 H 45.8588 6.99171 12.0038 0.00187224 -0.000370014 -0.0092194 12
3506 184 H 47.4405 8.72069 10.7145 -0.00377146 -0.00134139 0.0146667 12
3507 185 H 48.4138 7.23889 10.3703 -0.00393531 -0.000150221 -0.00560627 12
3508 186 H 46.1674 6.25995 9.52395 -0.00331766 -0.00330919 -0.00205902 12
3509 187 H 45.4755 7.83523 9.70769 -0.00976243 -0.0155878 -0.000839615 12
3510 188 H 47.1505 8.83509 8.07955 0.00811256 0.00352556 -0.00319065 12
3511 189 H 47.9167 7.32228 7.91764 0.00500528 0.0035306 0.0170222 12
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3513 191 H 44.9538 7.99734 7.15614 -0.00483967 -0.011358 0.00612149 12
3514 192 H 47.2035 6.9261 5.43095 -0.00448835 -0.00632097 0.00777347 12
3515 193 H 45.5073 6.82206 5.02848 -0.0125062 0.0144686 0.00281894 12
3516 194 H 45.4394 9.42772 5.39538 0.00198691 0.00992722 -0.010508 12
3517 195 H 47.183 9.32055 5.34645 -0.00185771 0.0073501 -0.00500958 12
3518 196 H 45.2304 9.08105 3.10141 -0.00367738 -0.0091029 0.000442839 12
3519 197 H 46.7522 9.83571 3.04137 0.00474132 -0.00603827 -0.00271296 12
3520 198 H 47.9134 7.60287 2.82279 -0.00303059 -0.00757943 0.003343 12
3521 199 H 46.3369 6.81259 2.96395 -0.00396439 -0.00467381 -0.0151453 12
3522 200 H 47.0263 6.97927 0.628415 -0.00322829 -0.00702388 0.00533008 12
3523 201 H 45.6301 8.03156 0.82089 0.00519348 -0.00913965 -0.0168478 12
3524 202 H 47.2138 8.79159 0.724389 0.00176679 -8.61937e-05 -0.00293584 12
3525 203 H 49.0947 13.9979 14.9096 -0.00196091 -0.00340999 0.00442775 12
3526 204 H 49.5784 12.2756 14.752 -0.00205739 -0.00227917 -0.00394774 12
3527 205 H 48.2089 12.1146 12.6805 0.00702364 -0.00716443 0.00922108 12
3528 206 H 47.6523 13.8434 12.9372 -0.00281777 -0.00521847 -0.0133629 12
3529 207 H 49.9219 14.6042 12.4144 0.00239186 0.000791512 0.00413056 12
3530 208 H 50.4833 12.9857 12.2616 -0.00644006 -0.00642946 0.0119199 12
3531 209 H 48.8573 12.5597 10.3149 0.00717334 -0.0023965 -0.0147822 12
3532 210 H 48.3257 14.1965 10.4279 0.00767282 0.0124903 0.000763056 12
3533 211 H 50.9934 14.7805 10.3152 -0.00271327 -0.000863061 0.00589161 12
3534 212 H 51.064 13.2089 9.49698 -0.00167264 -0.000191832 -0.0138657 12
3535 213 H 49.067 15.2079 8.58427 -0.00539146 -0.00280166 -0.0136649 12
3536 214 H 50.782 15.4969 8.22872 0.00658846 -0.0146107 -0.0163959 12
3537 215 H 51.0355 13.2341 7.23565 0.00111555 -0.00214305 0.00457347 12
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3541 219 H 51.2547 13.1018 4.71023 0.00527346 0.000564449 -0.00493464 12
3542 220 H 49.5145 12.6762 4.61869 -0.00730453 0.00704973 -0.00538992 12
3543 221 H 49.1829 14.8231 3.30313 0.00061471 0.00235078 0.0176319 12
3544 222 H 50.865 15.0944 3.38255 0.00841212 -0.00711459 -0.00179352 12
3545 223 H 51.367 13.0594 2.06415 0.00396208 0.000769649 -0.00173447 12
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3547 225 H 50.6147 15.037 0.685971 -0.000854843 0.00320105 -0.0190321 12
3548 226 H 50.1416 13.5271 -0.0581283 -0.00454917 0.00203479 0.00402795 12
3549 227 H 48.9161 14.4792 0.803992 0.00191797 -0.00112351 0.0117321 12
3550 228 H 39.6948 11.381 34.5435 -0.00225642 0.00736174 -0.00569008 12
3551 229 H 38.8265 11.8376 33.0275 -0.00438407 0.00634599 0.00742462 12
3552 230 H 37.5017 10.0439 33.0989 0.00308432 -0.0106586 -0.00400479 12
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3556 234 H 38.2415 9.20912 36.7482 -0.00526678 -0.00372165 0.00110626 12
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3558 236 H 37.933 11.9449 37.8102 0.00714997 -0.00397114 -0.00876039 12
3559 237 H 36.369 11.0874 37.5444 -0.00594473 -0.00952555 0.0206072 12
3560 238 H 37.05 9.32915 39.0995 -0.00889002 0.00356236 0.00692846 12
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3562 240 H 38.0115 11.9849 40.2442 -0.00514663 0.000360777 -0.0142279 12
3563 241 H 36.3569 11.4567 40.2814 0.00288387 0.000912329 0.0120951 12
3564 242 H 37.1004 9.40991 41.6442 -0.0124694 0.011242 -0.00191694 12
3565 243 H 38.7297 9.94811 41.6304 0.00293725 0.00319913 -0.00524432 12
3566 244 H 37.9392 12.0988 42.8179 0.00292923 0.00248382 0.00752526 12
3567 245 H 36.2907 11.4635 42.8432 -0.000162764 0.000725084 -0.0151099 12
3568 246 H 36.8556 9.57507 44.2431 0.0113969 -0.0113829 0.0099191 12
3569 247 H 38.5901 10.1334 44.2812 -0.00624074 -0.00970445 -0.00559306 12
3570 248 H 37.8819 12.244 45.3154 -0.00143066 -0.00223056 0.000668223 12
3571 249 H 36.1966 11.6553 45.4336 -0.000763362 0.00480217 0.0224225 12
3572 250 H 38.589 10.137 46.6152 -0.00769381 -0.00510174 -0.009301 12
3573 251 H 37.8171 11.5244 47.4576 0.00390578 -0.00225824 -0.000703333 12
3574 252 H 36.8703 10.0419 47.0653 -0.00960809 0.00690434 -0.00137864 12
3575 253 H 46.0059 13.3243 33.6758 0.00274995 -0.00607077 0.00383029 12
3576 254 H 45.0643 14.7351 33.4188 -0.0236538 0.000748781 -0.00224911 12
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3578 256 H 44.6936 12.9121 35.816 0.00967382 0.000738076 -0.000466496 12
3579 257 H 46.7719 14.6357 35.4657 -0.00413808 0.00255226 -0.00247241 12
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3583 261 H 45.0928 16.1024 38.394 -0.0113565 -0.00249306 0.00890827 12
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3586 264 H 46.6256 14.9504 40.1178 0.00114755 -0.000904589 0.00221848 12
3587 265 H 44.4634 16.3066 40.6963 0.006303 0.00224533 -0.00438391 12
3588 266 H 43.6465 14.7959 41.0702 0.00881807 -0.0121233 -7.42378e-05 12
3589 267 H 46.1959 15.7377 42.4979 0.0028724 -0.00826466 -0.00718996 12
3590 268 H 44.5468 15.8161 43.0709 -0.00214722 0.00934089 -0.00465992 12
3591 269 H 44.721 13.1369 42.5696 -0.0205824 0.00514375 0.00785315 12
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3594 272 H 44.7807 12.7948 44.9035 -0.00588376 -0.00762917 -0.0205223 12
3595 273 H 45.8619 14.0156 46.6077 -0.00312715 0.00507205 0.0017604 12
3596 274 H 47.0211 14.1001 45.2794 0.00324272 0.0136307 -0.00421964 12
3597 275 H 44.9991 16.2641 45.94 0.00730786 0.0169917 -0.00115635 12
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3599 277 H 46.2699 16.3393 44.6348 -0.014032 -0.00103703 -0.0088452 12
3600 278 H 44.7991 5.83904 33.7608 0.00532083 0.00570979 -0.0108827 12
3601 279 H 45.883 7.14108 34.1076 -0.00378116 0.00978374 -0.000838398 12
3602 280 H 43.3589 6.53928 35.8563 0.000861197 0.0126378 -0.000198202 12
3603 281 H 44.8649 7.48527 36.2682 0.00816089 -0.0143092 0.0184566 12
3604 282 H 46.1468 5.2932 36.087 0.00208066 -0.0126512 0.0172988 12
3605 283 H 44.6561 4.41531 36.2579 0.0152054 -0.00473615 -0.0113672 12
3606 284 H 44.2293 5.99912 38.4011 -0.00788402 -0.0146034 -0.017671 12
3607 285 H 45.9027 6.44612 38.1047 -0.00174375 -0.000837215 0.0146743 12
3608 286 H 46.1523 3.64619 38.1268 0.00547769 0.00171427 0.00679857 12
3609 287 H 44.7438 3.80616 39.135 -0.00685671 -0.00130862 -0.00588539 12
3610 288 H 47.5229 5.04713 39.6769 0.00219536 -0.0131966 -0.0126339 12
3611 289 H 46.6856 3.71943 40.5294 -0.00243887 -0.00266126 0.00161162 12
3612 290 H 45.5844 6.58434 40.4256 -0.0176196 -0.00491137 -0.000196904 12
3613 291 H 46.6563 6.00456 41.6797 0.0025901 0.00182756 -0.00261949 12
3614 292 H 44.9709 4.12954 42.2344 0.0010564 0.00118829 0.00837394 12
3615 293 H 43.9265 5.00584 41.1078 -0.00190033 -0.00656408 0.00344169 12
3616 294 H 43.3551 5.67565 43.3213 -0.0045419 0.011566 0.000662759 12
3617 295 H 44.1204 7.04891 42.5933 -0.00373457 -0.000647374 0.00225302 12
3618 296 H 45.1935 7.12615 44.5466 -0.00865912 -0.00636033 0.00480459 12
3619 297 H 46.327 5.98672 43.7451 0.000571462 0.00574176 -0.00826694 12
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3621 299 H 44.7888 4.11197 44.82 -0.00609547 0.00435057 0.00317201 12
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3625 1 C 1.79546 20.4358 30.5579 0.00297329 1.81424e-05 0.000767693 13
3626 2 C 1.77256 20.3698 29.1545 0.00238845 0.0020533 0.00190907 13
3627 3 C 1.18098 19.2765 28.5266 0.000575768 0.00154545 0.0008729 13
3628 4 C 0.663282 18.2141 29.2528 -0.000196713 0.0011991 0.00228448 13
3629 5 C 0.638197 18.2699 30.6759 0.00226057 0.000758671 0.00266688 13
3630 6 C 1.13711 19.4046 31.3318 0.00167806 0.00251754 0.00165394 13
3631 7 C -3.88023 17.0204 30.5188 0.00281959 -0.000710938 0.000614268 13
3632 8 C -3.82617 16.991 29.1057 -0.00183488 -0.00521916 -0.00159434 13
3633 9 C -2.59479 16.9545 28.4425 -0.00311383 -0.00127618 0.00260047 13
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3635 11 C -1.47228 17.0273 30.6323 0.00459498 -0.000587665 0.00255786 13
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3651 27 C 3.11547 17.3179 22.739 0.000829899 -0.00158107 -0.00473683 13
3652 28 C 2.36727 18.4603 23.1352 0.006336 -0.00551735 -0.000246815 13
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3723 99 C -5.25212 17.023 38.9446 -0.000652741 0.00247228 -0.00205288 13
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3726 102 C -6.70055 16.7017 42.641 -0.00328558 0.00247853 0.00131263 13
3727 103 C -6.40404 17.1717 44.0437 0.00316271 -0.00276418 0.00137006 13
3728 104 C -4.90576 17.113 44.4476 -0.000388609 0.00262079 -0.00201094 13
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3929 3 C 5.38296 26.0989 29.1741 0.00281736 -0.00202594 0.00252078 14
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3931 5 C 4.58219 25.0568 31.2343 -0.0039298 -0.000162784 0.00491945 14
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3933 7 C 0.139406 24.3001 30.3876 -0.000789011 0.00133134 0.00398344 14
3934 8 C 0.360048 24.2732 29.0075 -0.00243359 -9.1303e-05 0.00105208 14
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3949 23 C 5.03004 23.6544 26.6222 0.001335 0.00371411 0.00370384 14
3950 24 C 5.80374 23.6399 25.4432 -0.00320193 -0.000701845 -0.00483462 14
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3954 28 C 6.17988 24.5375 23.2292 0.000409763 -0.00100919 -0.00197358 14
3955 29 C 5.38491 24.4243 24.3776 -0.000791064 -0.00419209 0.000122913 14
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4016 90 C 9.65057 27.168 6.39435 -0.00334981 0.000391062 0.000554882 14
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4021 95 C -1.1889 24.2517 34.3078 0.00339769 -0.000236016 0.00168781 14
4022 96 C -0.691846 23.8972 35.6894 -0.00113012 0.000300354 -0.0057637 14
4023 97 C -1.58201 24.2565 36.9131 0.00372013 0.00212089 0.000575235 14
4024 98 C -1.07818 23.6688 38.2667 -0.00255536 0.00240352 -0.00335342 14
4025 99 C -1.78964 24.1501 39.549 -0.000542594 -0.000919923 -0.00110755 14
4026 100 C -1.09675 23.6711 40.8093 -0.00183391 -0.000332568 0.00436836 14
4027 101 C -1.82798 24.035 42.1121 0.000955353 2.14599e-05 -0.00175529 14
4028 102 C -1.00346 23.501 43.3156 -0.000297133 -0.00373503 -0.00113901 14
4029 103 C -1.60219 23.9908 44.6855 0.00334195 -6.25896e-05 0.000613276 14
4030 104 C -0.720628 23.4406 45.8746 -0.00187336 -0.00271301 0.00147399 14
4031 105 C -1.17937 23.894 47.2575 0.00121016 -0.00131841 -0.00252028 14
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4033 107 C 5.56477 28.3409 34.4348 0.00170465 -0.000236085 0.00163666 14
4034 108 C 6.04361 28.9452 35.8055 -0.0019982 0.00312637 0.00165443 14
4035 109 C 5.47555 28.2704 37.0622 -0.00485386 -0.00114982 -0.000822439 14
4036 110 C 5.94509 29.0098 38.2909 -0.0019625 -0.000572681 -0.0016574 14
4037 111 C 5.6734 28.2318 39.5802 -0.000150647 -0.00175147 0.000461286 14
4038 112 C 6.36632 28.9026 40.8038 0.00254959 -0.000779044 0.00155714 14
4039 113 C 6.54332 28.0707 42.0899 0.00348758 -0.00308933 5.78768e-05 14
4040 114 C 6.77745 29.068 43.2821 0.000347014 -0.000321196 -0.00342651 14
4041 115 C 7.28507 28.4754 44.566 -0.00469747 0.000247435 -0.00333206 14
4042 116 C 6.2516 27.7078 45.3614 0.00228188 0.00231011 0.00494296 14
4043 117 C 5.17942 28.6131 45.9926 0.00207547 0.00202368 0.000578264 14
4044 118 C 4.93111 20.3349 34.3027 0.00233709 -0.00379284 0.000192214 14
4045 119 C 6.34202 19.9427 34.779 -0.00412554 0.00535959 -0.00302425 14
4046 120 C 6.29335 18.7413 35.7349 0.00169622 -0.00222046 -0.00156471 14
4047 121 C 5.58262 18.9948 37.069 -0.000888287 -0.0024698 0.000206785 14
4048 122 C 6.46414 19.7577 38.0141 -0.00132203 0.000206832 0.000968341 14
4049 123 C 5.7524 20.0129 39.3745 -0.00206925 -0.00356765 0.00187376 14
4050 124 C 6.01218 18.8735 40.3764 -0.00335241 0.000658545 -0.000795322 14
4051 125 C 5.53172 19.3286 41.781 -0.00193671 0.00330337 -0.00162341 14
4052 126 C 6.0816 18.4296 42.9283 0.00106628 -0.00128435 -0.000297167 14
4053 127 C 5.99779 19.1027 44.299 0.0023283 -0.00327797 0.00339896 14
4054 128 C 6.46672 18.1972 45.4462 -0.00450659 0.000886997 0.00123107 14
4055 129 C 6.15947 18.7908 46.8026 0.00125736 0.000400336 0.00248737 14
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4252 24 C 9.62943 16.8324 25.249 0.00136464 6.65715e-05 0.00221704 15
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4300 72 C 14.1039 12.5964 12.5817 0.00190584 -0.00131321 -0.00109385 15
4301 73 C 14.5378 12.9284 11.1239 0.00103103 -0.00767812 -0.000550764 15
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4306 78 C 14.591 12.9996 5.45003 0.00299174 0.00442498 1.07252e-06 15
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4308 80 C 14.7228 13.5121 2.98163 -0.00485126 0.00103479 -0.00359847 15
4309 81 C 14.3143 12.1338 2.36327 0.000379027 -0.00192099 0.00144047 15
4310 82 C 11.2152 18.9087 14.3009 -4.46826e-05 -0.00344721 0.000669631 15
4311 83 C 12.0073 18.8434 12.9937 -0.00183473 -0.00395973 -0.00023717 15
4312 84 C 11.0948 18.6954 11.7837 -0.000913449 -0.00244273 0.00279051 15
4313 85 C 11.9005 18.9147 10.4534 0.00342529 -0.000563677 -0.00294034 15
4314 86 C 10.959 18.6508 9.27094 -0.000772307 -0.00108423 0.00216484 15
4315 87 C 11.6889 18.8103 7.90725 -0.00122032 -0.00280019 0.00436629 15
4316 88 C 10.7045 18.6348 6.73216 0.00522827 -0.00117349 0.00168106 15
4317 89 C 11.3742 18.6238 5.35435 -0.000823592 -0.000110696 -0.00263902 15
4318 90 C 10.2284 18.6938 4.2604 -0.00466796 0.00200897 0.00161805 15
4319 91 C 10.5609 18.1743 2.86255 0.00519759 0.000239432 0.000516588 15
4320 92 C 11.611 18.9631 2.11745 -0.00309682 0.00196597 0.00160084 15
4321 93 C 11.709 18.5029 0.668744 -3.97749e-05 -0.00205386 -0.00131651 15
4322 94 C 3.29154 17.2176 32.9818 0.00345814 5.04629e-05 -0.000282729 15
4323 95 C 3.15387 17.0529 34.4835 0.0021489 0.00457213 0.00129688 15
4324 96 C 1.6522 17.2292 34.9667 0.00198674 0.00190199 0.000458348 15
4325 97 C 1.38769 16.7171 36.3681 0.00242388 -0.003083 -0.00167512 15
4326 98 C 2.21848 17.3816 37.5574 -0.00138589 0.00323868 0.00098691 15
4327 99 C 1.95914 16.6116 38.8747 0.000876068 -0.000819879 -0.000306216 15
4328 100 C 2.32291 17.3884 40.1519 -0.0016701 -0.0013651 0.00241166 15
4329 101 C 2.04907 16.5121 41.3819 0.00334607 -0.00461958 -0.00131225 15
4330 102 C 2.12237 17.3082 42.6826 -0.000394181 0.00428877 -0.000178612 15
4331 103 C 2.3264 16.4423 43.9484 0.00100817 -0.00074863 0.00285421 15
4332 104 C 2.48068 17.2455 45.2575 0.00593858 0.000824189 -0.00444352 15
4333 105 C 2.94033 16.3684 46.4117 -0.000970596 0.00303117 -0.000906291 15
4334 106 C 9.37196 20.5645 33.7778 -0.00385383 -0.00159858 -0.00182241 15
4335 107 C 9.63268 20.494 35.3087 -0.00167362 0.00329959 -0.000672478 15
4336 108 C 10.0381 21.8644 35.8948 0.0041262 0.000856963 0.00315113 15
4337 109 C 9.56337 22.1609 37.3442 0.00390753 -0.00313856 -0.00238701 15
4338 110 C 10.1477 21.2893 38.4628 -0.00176241 0.000420401 0.00123097 15
4339 111 C 10.2823 22.1261 39.7633 -0.000934894 0.00178949 0.000849072 15
4340 112 C 9.04182 22.2257 40.6004 -0.000670133 -0.00107843 -0.00112966 15
4341 113 C 8.62038 21.0588 41.5218 -0.00203665 -0.00345111 0.00302428 15
4342 114 C 9.53091 20.691 42.6859 0.00293385 -0.00158247 -0.000587226 15
4343 115 C 9.89617 21.8295 43.6266 0.000895237 -0.00588923 -0.00234327 15
4344 116 C 10.5098 21.3317 44.9378 -0.00157477 -0.00174962 -0.00488167 15
4345 117 C 9.47206 20.7336 45.9221 0.0031173 0.000522748 -0.00100336 15
4346 118 C 9.59687 13.3239 34.0387 0.00365868 -0.00017419 0.00112452 15
4347 119 C 9.03986 13.3501 35.4781 -0.00152796 -0.000807518 0.000815918 15
4348 120 C 9.88072 12.5091 36.4811 -0.000962734 0.000402077 0.00524579 15
4349 121 C 9.27631 12.7749 37.8801 -0.00529473 0.00250306 7.58699e-05 15
4350 122 C 10.2609 12.5178 39.0291 0.000976557 0.00425563 -0.00157081 15
4351 123 C 9.64814 12.6838 40.415 -0.00559873 -0.00197173 -0.00128615 15
4352 124 C 10.6136 12.394 41.6108 -0.000838822 -7.75522e-05 0.00325612 15
4353 125 C 9.84895 12.3771 42.9316 0.000763737 -0.00272915 0.00113467 15
4354 126 C 10.7504 12.0342 44.1091 0.00538796 0.00309988 -0.00413532 15
4355 127 C 9.94927 12.1134 45.4221 0.0015898 -0.000570728 -0.000233975 15
4356 128 C 10.6997 11.5817 46.7206 0.000477695 -0.00109784 -0.0059626 15
4357 129 C 11.9972 12.3568 47.0966 0.00241547 -0.00238775 -0.00102859 15
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4360 132 H 10.2603 20.9851 29.023 0.00834146 0.00176871 0.0102456 15
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4366 138 H 10.1214 12.5845 29.3159 0.0102575 -0.0035171 0.012283 15
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4377 149 H 10.5804 21.3245 16.6897 -0.00766022 0.00386498 0.0135042 15
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4393 165 H 16.6322 17.7259 7.68531 0.00881297 -0.0113882 -0.00912798 15
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4395 167 H 16.5475 16.2151 5.46638 -0.00609938 0.000733661 -0.00200623 15
4396 168 H 16.6147 17.8998 5.37318 -7.6033e-05 -0.00489295 -0.016335 15
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4398 170 H 13.9549 16.2831 5.3343 0.00338709 0.0020913 0.00503224 15
4399 171 H 13.7057 16.7115 3.02696 0.00909962 -0.000605067 -0.0126558 15
4400 172 H 15.2859 15.9358 3.13992 0.0105853 0.00268719 0.00768374 15
4401 173 H 16.406 18.2061 2.93651 -0.000541358 -0.00493165 0.00813145 15
4402 174 H 14.8286 18.9702 2.71719 -0.00239851 -0.00396192 0.00423853 15
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4412 184 H 13.7212 13.4871 10.6502 0.00219751 -0.00721464 -0.00201291 15
4413 185 H 15.3882 13.6211 11.1034 -0.0104476 0.00649868 0.000885272 15
4414 186 H 15.454 10.9476 11.0436 -0.00141884 0.00578291 0.00353372 15
4415 187 H 13.8959 11.0741 10.2695 -0.00559287 0.00445022 0.00693693 15
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4417 189 H 15.9909 10.8251 8.74398 -0.0024865 -0.00442335 0.00812059 15
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4419 191 H 13.9705 13.0266 8.12994 -0.00720314 -0.00551219 0.00379193 15
4420 192 H 16.0599 13.3855 6.8894 -0.00253162 0.000660719 0.00128409 15
4421 193 H 16.0582 11.6938 6.39129 0.00455946 -0.00123935 0.00560888 15
4422 194 H 13.8702 12.2208 5.17191 0.00641975 -0.000906882 0.00607902 15
4423 195 H 13.9746 13.881 5.66608 -0.00444643 0.00169769 -0.00999821 15
4424 196 H 16.1252 14.2484 4.4299 -0.00256937 0.003533 0.00233306 15
4425 197 H 16.2752 12.536 4.15331 -0.00232559 -0.00826087 0.0126665 15
4426 198 H 13.7758 14.0365 3.1593 -0.00315621 0.00349061 -0.00186495 15
4427 199 H 15.3378 14.0526 2.25154 0.00792118 -0.00776097 0.000632385 15
4428 200 H 13.658 11.5444 3.01536 0.00290264 0.00639956 0.0114942 15
4429 201 H 13.8348 12.3203 1.3944 0.00318831 0.0090486 0.00214798 15
4430 202 H 15.2115 11.5245 2.19827 0.0072435 0.00775971 0.0030027 15
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4432 204 H 10.3227 19.525 14.1365 0.00940535 0.00994134 -0.00064726 15
4433 205 H 12.6137 19.7462 12.8502 -0.00382377 -0.00173756 0.00534897 15
4434 206 H 12.7096 18.0037 13.0652 0.00104534 -0.00108418 0.00530608 15
4435 207 H 10.6252 17.704 11.7727 -0.00523902 -0.000486957 0.0121029 15
4436 208 H 10.293 19.4422 11.836 -0.00667255 -0.00924986 0.0116014 15
4437 209 H 12.3532 19.9115 10.3836 -0.00478747 0.00308916 -0.00387564 15
4438 210 H 12.7445 18.2142 10.4784 0.00278781 -0.0010667 0.00495905 15
4439 211 H 10.5344 17.65 9.41763 -0.00248442 -0.00143489 -0.00527384 15
4440 212 H 10.1429 19.3838 9.26088 0.00121837 0.0010705 -0.0034457 15
4441 213 H 12.1553 19.7953 7.78192 -0.0137934 0.00300505 0.00314932 15
4442 214 H 12.4688 18.0421 7.83539 -0.0172858 -0.0177574 -0.0102612 15
4443 215 H 10.1501 17.6992 6.87608 -0.00677565 0.00590576 0.0014221 15
4444 216 H 9.99096 19.4671 6.7719 -0.00706564 -0.0119135 0.0056349 15
4445 217 H 12.0742 19.461 5.24241 0.0169239 -0.0118703 0.0203677 15
4446 218 H 11.9649 17.7085 5.22549 -0.0059989 -0.00443583 0.00445622 15
4447 219 H 9.35236 18.1501 4.63498 0.0047355 -0.00127786 0.0188697 15
4448 220 H 9.9047 19.7393 4.18609 0.00143825 0.00375552 -0.00038574 15
4449 221 H 10.868 17.1307 3.00358 0.0030421 -0.00163184 -0.00866934 15
4450 222 H 9.60678 18.0431 2.33743 0.011274 0.0167523 -0.0144699 15
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4453 225 H 11.8702 17.419 0.616901 0.00867125 -0.000362664 -0.00959373 15
4454 226 H 10.8057 18.7671 0.105052 -0.00506783 -0.000684748 0.00738701 15
4455 227 H 12.5609 18.9955 0.184035 -0.00706299 -0.00824303 -0.0199615 15
4456 228 H 2.97074 18.2273 32.6969 -0.00948931 -0.00796563 -0.0141176 15
4457 229 H 2.63581 16.4955 32.4798 -0.00409735 0.00372243 0.00432337 15
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4459 231 H 3.81061 17.7457 35.024 0.00359052 0.00225206 0.00252588 15
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4461 233 H 0.969253 16.7047 34.2871 -0.00238854 0.00624847 0.00149354 15
4462 234 H 0.33308 16.9427 36.5689 -0.00088702 -0.0077613 -0.0138714 15
4463 235 H 1.55487 15.6349 36.4338 -0.000467546 -0.00287902 0.00936643 15
4464 236 H 3.29158 17.3881 37.3297 0.000945722 -0.00819851 0.0116651 15
4465 237 H 1.89023 18.424 37.6519 0.000569556 0.00448872 -0.00597957 15
4466 238 H 0.885027 16.3956 38.9297 0.000180637 0.00316314 0.00178734 15
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4469 241 H 1.62526 18.227 40.2678 -0.00187181 -0.00179956 0.00437624 15
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4471 243 H 2.74868 15.6677 41.4149 -0.00394407 -0.0114748 -0.0221983 15
4472 244 H 2.92326 18.0546 42.6119 -0.00858002 0.012984 -0.0012917 15
4473 245 H 1.18889 17.8774 42.7727 0.00507634 0.0141859 -0.00602741 15
4474 246 H 1.4695 15.7713 44.0857 -0.00156137 0.00215931 0.00100222 15
4475 247 H 3.21217 15.806 43.8307 0.000610317 0.00143533 -0.0118143 15
4476 248 H 3.22438 18.0197 45.0318 0.00228437 0.00354948 -0.00715818 15
4477 249 H 1.53812 17.7259 45.5477 0.0010383 -0.00326814 -0.0136044 15
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4479 251 H 2.98666 16.9738 47.3254 -0.00684237 0.00175346 0.000240099 15
4480 252 H 2.26949 15.5153 46.5717 0.00156747 0.0008519 -0.00185128 15
4481 253 H 10.277 21.0231 33.3606 -0.00245695 -0.00184385 0.000937861 15
4482 254 H 8.585 21.3129 33.6227 -0.00468591 -0.00183402 0.00124958 15
4483 255 H 8.77633 20.0252 35.809 -0.00205791 -0.00485757 -0.00891851 15
4484 256 H 10.502 19.8307 35.3967 -0.0087367 -0.00601829 -0.00127121 15
4485 257 H 11.1251 21.9934 35.8236 0.00634082 -0.018922 0.00114315 15
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4487 259 H 9.76121 23.2251 37.5225 -0.0110968 -0.00155507 0.00487078 15
4488 260 H 8.47804 22.024 37.4262 0.00480038 -0.0113379 -0.00416833 15
4489 261 H 9.49996 20.413 38.5891 0.00138815 -0.000890049 0.00822605 15
4490 262 H 11.1462 20.9002 38.2286 -0.0017786 0.00370701 -0.004245 15
4491 263 H 11.0653 21.6766 40.3865 -0.000190014 0.00391987 0.00145437 15
4492 264 H 10.6771 23.1249 39.5398 0.00623166 0.000401802 0.00721403 15
4493 265 H 9.08314 23.1684 41.1598 0.00432404 -0.00936935 0.0124002 15
4494 266 H 8.19565 22.4099 39.927 -0.00429448 0.0104115 0.00653262 15
4495 267 H 7.65025 21.3189 41.9629 -0.00120795 0.000616378 0.00244921 15
4496 268 H 8.48166 20.1914 40.8647 -0.01149 0.000237755 0.000144274 15
4497 269 H 8.99284 19.9158 43.2455 -0.00435025 0.00417543 0.000403831 15
4498 270 H 10.4835 20.2922 42.3157 0.00321314 0.00170374 -0.0034155 15
4499 271 H 10.5513 22.496 43.0522 0.0171224 -0.0154238 0.005151 15
4500 272 H 8.97355 22.3763 43.8571 0.00362513 -0.00220759 -0.000176234 15
4501 273 H 11.2829 20.5742 44.7587 0.00983199 0.00567107 0.0127895 15
4502 274 H 11.0362 22.1459 45.451 0.00686497 -0.00790914 -0.0037427 15
4503 275 H 8.59158 21.3863 45.9685 0.00248982 -7.07243e-05 -0.00456498 15
4504 276 H 9.15007 19.7175 45.6626 -0.00325309 0.0056615 -0.0131666 15
4505 277 H 9.88589 20.6828 46.9368 -0.00727223 -0.0132493 0.00255069 15
4506 278 H 9.40999 12.337 33.5977 -0.0114563 0.00710064 -0.0087442 15
4507 279 H 10.6857 13.4566 34.0568 0.00471712 -0.00928432 0.00518783 15
4508 280 H 8.01449 12.9623 35.4374 -0.00124588 -0.00188482 0.00406623 15
4509 281 H 9.14024 14.3927 35.8043 0.0175344 -0.00438857 0.00660407 15
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4512 284 H 8.40718 12.1137 37.9841 -0.00786759 0.00747229 0.0100862 15
4513 285 H 8.9214 13.8074 37.987 -0.00325654 0.0024517 0.00738047 15
4514 286 H 11.1078 13.21 38.9459 0.00315181 0.00104037 -0.00617154 15
4515 287 H 10.6746 11.5089 38.9087 0.00672856 0.007157 -0.0061073 15
4516 288 H 8.81229 11.9737 40.4374 -0.00374223 -0.00431781 -0.00600504 15
4517 289 H 9.22098 13.6935 40.4543 -0.00347802 -0.00151026 0.00953823 15
4518 290 H 11.3627 13.1954 41.6138 -0.00336298 0.00235534 -0.00909123 15
4519 291 H 11.1597 11.4644 41.4082 0.00380721 0.00415754 -0.00375049 15
4520 292 H 9.00811 11.6745 42.879 0.0106634 -0.0144804 9.79989e-05 15
4521 293 H 9.42029 13.3625 43.1522 0.00441302 -0.00256607 0.00753458 15
4522 294 H 11.5825 12.7466 44.1693 0.006653 0.00104129 0.00281251 15
4523 295 H 11.199 11.0511 43.9201 0.0180999 0.00919501 -0.00575675 15
4524 296 H 9.0212 11.5286 45.4264 0.00159436 -0.000577943 -9.94191e-05 15
4525 297 H 9.66974 13.1623 45.5806 -0.00120383 -0.000683616 -0.00443798 15
4526 298 H 10.9504 10.5244 46.5699 -0.00667543 -0.00363486 -8.44401e-06 15
4527 299 H 9.98955 11.641 47.5546 0.014023 0.00778524 0.00492646 15
4528 300 H 12.7983 12.3092 46.3486 -0.000762767 0.00480204 -0.00489066 15
4529 301 H 12.4127 11.9553 48.0292 -0.0201644 -0.0108358 0.00538471 15
4530 302 H 11.8013 13.4219 47.2717 -0.0121978 -0.00576225 0.00310768 15
4531 1 C 13.5302 26.9174 31.4982 0.0013756 0.00048592 0.00274031 16
4532 2 C 13.8232 26.7946 30.144 -0.00254944 0.000552433 -0.00134756 16
4533 3 C 13.3054 25.7301 29.4158 0.000246368 0.000643039 0.00207542 16
4534 4 C 12.6052 24.6938 30.1068 -0.00164889 -0.00181443 0.000762613 16
4535 5 C 12.3787 24.7574 31.5114 0.000771454 0.0015868 -0.00119629 16
4536 6 C 12.878 25.8835 32.2209 -0.00240683 -0.0016374 -0.00350807 16
4537 7 C 7.87672 23.6896 30.8218 0.00414775 0.000790845 0.00257154 16
4538 8 C 8.07565 23.6594 29.4237 -0.0015226 -0.00207262 -0.000612863 16
4539 9 C 9.36838 23.6709 28.9294 -0.00034517 -0.00070336 0.00375737 16
4540 10 C 10.4313 23.6354 29.8193 -0.00118866 -0.00761865 0.00206045 16
4541 11 C 10.2365 23.6341 31.246 -0.00192068 0.00186325 -0.000132481 16
4542 12 C 8.93609 23.723 31.7543 0.00280483 0.0026273 -0.00279011 16
4543 13 C 13.5509 20.1513 31.4988 0.00506996 0.00169095 -0.0046868 16
4544 14 C 13.6044 20.1359 30.1067 0.00203542 0.00666617 -0.000937665 16
4545 15 C 13.0831 21.2028 29.4168 -0.00291669 -0.00451975 -0.00396196 16
4546 16 C 12.4182 22.2618 30.0923 -0.00344395 0.00101986 -0.00360067 16
4547 17 C 11.9079 23.5258 29.3879 -0.00147176 -0.00165007 -0.00250945 16
4548 18 O 12.8081 21.0462 33.6105 0.00285255 -1.00618e-05 -0.00123813 16
4549 19 O 8.7126 23.8986 33.1193 3.13171e-05 0.000383951 -0.00192731 16
4550 20 O 12.7085 26.0656 33.6168 0.00417376 -0.001598 0.00276316 16
4551 21 C 12.8593 21.1692 32.233 0.00385424 0.00129612 -1.22396e-05 16
4552 22 C 12.2088 23.5286 27.9369 -0.00182583 -0.00192897 -0.00225171 16
4553 23 C 12.7651 23.5235 26.8512 -0.000992124 0.000157214 0.00394616 16
4554 24 C 13.5106 23.4743 25.6314 -0.00104075 -0.00201754 0.00208204 16
4555 25 C 14.5081 22.4936 25.4054 -0.00642079 -0.00207339 -0.00388625 16
4556 26 C 15.2954 22.5833 24.2368 -0.00547799 -0.00215319 0.000862377 16
4557 27 C 15.0691 23.5772 23.2951 -7.34049e-05 0.00101295 -0.00115939 16
4558 28 C 14.0423 24.5176 23.5236 -0.00175943 -0.000386243 0.00054702 16
4559 29 C 13.2976 24.4813 24.6887 0.000366193 -0.00067287 0.000717138 16
4560 30 C 15.8125 23.629 22.0305 0.00179105 -0.00481725 0.00333832 16
4561 31 C 16.3376 23.6812 20.9367 -0.000522485 0.00137517 0.00104456 16
4562 32 C 14.8399 20.6185 18.3387 -0.00150386 0.00181669 0.00351468 16
4563 33 C 14.9443 20.765 16.9481 0.00508986 0.00178934 -0.00279174 16
4564 34 C 15.6667 21.8678 16.4215 -0.0022867 -0.00123768 0.00250115 16
4565 35 C 16.2247 22.7596 17.2981 -0.00115545 -0.000751029 0.00283275 16
4566 36 C 16.1042 22.6354 18.6962 -0.00199966 -0.00495603 0.00656428 16
4567 37 C 15.4118 21.5381 19.2107 -0.000776608 -0.000206622 0.00193009 16
4568 38 C 16.6771 23.7961 19.5049 0.00278928 -0.00110421 -0.0022966 16
4569 39 C 20.5965 23.9552 19.2702 0.00368635 -0.00151358 0.00243107 16
4570 40 C 20.744 23.9709 17.8667 -0.000242564 -0.00394221 -0.000676709 16
4571 41 C 19.6106 23.8453 17.0385 0.00413218 -0.00295942 -0.00309477 16
4572 42 C 18.3528 23.8295 17.6644 -0.0035691 -0.00277165 -0.00174832 16
4573 43 C 18.1695 23.7826 19.0751 0.000242245 0.00275511 -0.00536758 16
4574 44 C 19.3209 23.8452 19.875 -0.00174651 -0.000648922 -0.00215213 16
4575 45 C 15.1313 27.2851 18.8751 0.000126792 0.00301666 -0.00211695 16
4576 46 C 15.4517 27.4321 17.5051 -0.00207573 0.00185234 0.00154773 16
4577 47 C 16.1096 26.416 16.8316 -0.000138653 -0.000550829 -0.00109642 16
4578 48 C 16.3357 25.2013 17.5129 -0.00120425 -0.00119411 -0.00103952 16
4579 49 C 17.0248 23.9727 16.9005 0.000958543 0.000462299 0.00135159 16
4580 50 C 16.1054 25.078 18.9065 -0.00146037 0.00136077 0.000866801 16
4581 51 C 15.5068 26.1699 19.6045 0.000382088 -0.00282058 0.00134866 16
4582 52 O 19.7976 23.8819 15.7143 -0.00147214 0.00401956 -0.001177 16
4583 53 O 15.622 22.1865 15.053 -0.000305178 0.00523611 0.00086288 16
4584 54 O 16.4146 26.561 15.5427 -0.000836334 0.00102842 -0.002168 16
4585 55 C 11.5537 23.5568 32.0521 0.000863918 -0.0040873 0.00416182 16
4586 56 C 12.3168 22.2826 31.51 -0.00298558 -0.00066337 0.00376835 16
4587 57 C 19.5141 22.7374 14.9465 0.00347545 0.000738443 0.00338234 16
4588 58 C 18.6643 23.0667 13.6639 -0.00113801 -0.000967825 0.000678801 16
4589 59 C 19.4662 23.2706 12.3353 0.00509453 0.00149419 -0.0058459 16
4590 60 C 18.5301 23.3984 11.1339 -0.00151354 0.00053775 -0.000971821 16
4591 61 C 19.2487 23.6963 9.83329 -0.00327575 0.00902467 0.00042379 16
4592 62 C 18.3365 23.5925 8.58097 0.000781866 -0.00383841 -0.000921372 16
4593 63 C 19.0136 23.9783 7.26475 -0.000642179 0.000637638 -0.00329614 16
4594 64 C 18.167 23.6782 6.0431 0.000670415 -0.000143207 0.000390216 16
4595 65 C 18.8362 24.0113 4.69026 -0.00372704 0.000532852 -0.00324548 16
4596 66 C 17.9291 23.6363 3.45862 0.000126179 0.00561417 -0.00311985 16
4597 67 C 18.4056 24.2058 2.10943 -0.0052942 0.00440063 0.000371262 16
4598 68 C 19.6737 23.632 1.53531 -0.0004231 -0.00195979 -0.000236756 16
4599 69 F 16.2455 21.6357 24.012 -0.000281215 -0.00444689 0.0028835 16
4600 70 C 15.2617 21.2234 14.0127 -0.00254613 -0.000184857 0.00372325 16
4601 71 C 15.0986 21.9614 12.6573 -0.00548526 0.000339098 -0.00327675 16
4602 72 C 15.1737 21.0229 11.4352 -0.00454167 -0.00383727 0.00279273 16
4603 73 C 15.0016 21.8317 10.0949 -0.00110553 0.00235041 0.0017516 16
4604 74 C 15.1708 20.9107 8.87709 -0.00053248 0.00405058 0.00180417 16
4605 75 C 15.0029 21.5853 7.50551 -0.00466859 -0.000473597 0.00123297 16
4606 76 C 15.1307 20.5523 6.3541 0.00131475 0.00509907 -0.00119416 16
4607 77 C 15.4878 21.0827 4.97554 0.00167138 0.000431831 -0.000768407 16
4608 78 C 14.5403 22.1435 4.36697 0.0019654 -0.00440361 0.00207464 16
4609 79 C 14.1261 21.7977 2.91842 -0.00286779 0.000407538 -0.000889111 16
4610 80 C 15.2738 21.8824 1.92124 0.00117134 7.17544e-05 0.002824 16
4611 81 C 14.7198 21.4349 0.53573 0.000406262 -0.00662742 -0.000594499 16
4612 82 C 17.7878 26.6211 15.1914 -0.0015532 -0.00518649 -0.00386328 16
4613 83 C 18.0203 26.6993 13.6941 0.00021568 0.00204926 0.00464067 16
4614 84 C 17.8952 28.1467 13.1991 -0.00100279 0.000249337 0.00449676 16
4615 85 C 18.5879 28.4532 11.8693 0.000403068 0.00369992 0.00119695 16
4616 86 C 18.0809 27.6113 10.7066 0.00207349 0.00299036 0.0026654 16
4617 87 C 18.6364 28.2205 9.39679 0.00117293 -0.00133313 -0.00127838 16
4618 88 C 17.9306 27.7088 8.15547 -0.00130475 -0.00429545 0.00507023 16
4619 89 C 18.5543 28.2852 6.87453 -0.0006824 0.000855724 -0.00212486 16
4620 90 C 17.7223 27.7085 5.72478 0.00132954 0.00476118 0.000675131 16
4621 91 C 18.2569 28.1286 4.31672 -0.00161953 -0.00230095 -0.000760173 16
4622 92 C 17.2534 27.665 3.27503 0.00200606 0.000855941 0.00122005 16
4623 93 C 17.6834 27.968 1.81155 3.66379e-05 -0.00263928 0.00119794 16
4624 94 C 7.37793 23.7804 33.6248 -0.00326787 -0.00125616 0.00338417 16
4625 95 C 7.17755 23.8978 35.1376 0.00419336 0.00381105 -0.000409647 16
4626 96 C 5.69711 23.6014 35.511 -0.000759087 -0.00310282 -5.63707e-05 16
4627 97 C 5.23276 24.1462 36.9042 0.00433977 0.00127209 0.00162821 16
4628 98 C 5.86427 23.5171 38.1702 -0.000253041 0.000655362 0.00413238 16
4629 99 C 5.19661 24.1999 39.3461 -0.00265402 -0.00307793 0.00231808 16
4630 100 C 6.04287 24.4175 40.5931 -0.00208854 -0.00120141 -0.000387281 16
4631 101 C 5.58694 23.6015 41.818 0.000253194 -0.00251185 -0.00778642 16
4632 102 C 6.43275 23.9819 43.0803 -0.00292192 -0.000539239 -0.00634507 16
4633 103 C 5.92974 23.1959 44.3384 -0.0029599 0.00220555 0.000134587 16
4634 104 C 6.67973 23.6773 45.5856 0.00333834 0.00357 0.00294168 16
4635 105 C 6.31698 22.8959 46.8483 0.00124314 -0.00427346 -0.000925507 16
4636 106 C 13.3126 27.2144 34.315 0.00183214 0.000129344 0.000215739 16
4637 107 C 13.2335 27.1357 35.8557 -0.00275355 -0.000436845 0.00340564 16
4638 108 C 13.9691 28.3054 36.577 -0.00177156 -0.00131815 0.00499803 16
4639 109 C 14.4027 27.9815 38.0608 0.00144034 0.00392197 -0.00219056 16
4640 110 C 13.1924 28.0235 38.9645 -0.00366034 0.0026929 0.00282555 16
4641 111 C 13.5661 27.5904 40.4083 0.0018344 0.000594442 0.0011809 16
4642 112 C 14.1312 28.8073 41.2527 -0.000273319 -0.00130627 -0.00161059 16
4643 113 C 14.0989 28.4044 42.7375 0.00416952 -0.00157217 -0.00470238 16
4644 114 C 14.3691 29.5946 43.7262 0.00123783 -0.00358715 0.00626453 16
4645 115 C 14.2683 29.1893 45.2315 0.000828133 0.000919999 -0.00202364 16
4646 116 C 13.1954 28.11 45.5745 0.0030956 -0.00163866 -0.00504354 16
4647 117 C 12.9815 27.7936 47.076 -0.000201848 -0.000963667 -0.00501149 16
4648 118 C 13.3607 19.8639 34.3175 0.000108287 0.00455551 0.00104077 16
4649 119 C 13.411 20.1514 35.8287 0.00393261 0.00449758 -0.000535801 16
4650 120 C 13.998 19.0701 36.766 0.000984461 -2.65282e-05 0.00290631 16
4651 121 C 14.0528 19.5318 38.2349 -0.00103447 0.00347341 -0.000287666 16
4652 122 C 14.1914 18.4191 39.2642 -0.00494603 -0.000828732 0.0006385 16
4653 123 C 14.4907 18.9557 40.6647 -0.00058538 0.00432845 -0.00030322 16
4654 124 C 13.4109 19.8285 41.2901 0.0041383 -0.00415383 -0.00371778 16
4655 125 C 13.8311 20.2675 42.6928 0.00447192 0.000789058 0.000601533 16
4656 126 C 13.6827 19.1535 43.7432 -0.000933691 -0.00021633 4.69432e-05 16
4657 127 C 14.4386 19.5671 45.0177 0.00355709 -0.00143828 1.86053e-05 16
4658 128 C 14.0447 18.9121 46.3255 0.00605336 0.00203849 0.000753213 16
4659 129 C 12.6834 19.3543 46.8149 0.00310268 -0.00065777 0.00556067 16
4660 130 F 14.7562 21.5273 26.2967 0.002116 0.000789849 0.0035013 16
4661 131 H 13.9581 27.7921 31.979 -0.00899758 0.00595018 0.00199351 16
4662 132 H 14.3437 27.5656 29.5836 -0.00813623 0.0101952 0.00676338 16
4663 133 H 13.3466 25.7985 28.3327 0.0102433 -0.00936802 0.00185153 16
4664 134 H 6.83685 23.738 31.1312 0.00379823 0.0200981 -0.00158097 16
4665 135 H 7.23408 23.5866 28.7412 -0.00553529 -0.00726558 0.00487985 16
4666 136 H 9.50766 23.6431 27.8527 0.0139183 -0.0118867 0.00590651 16
4667 137 H 14.0296 19.3247 32.0156 0.00472506 -0.000809418 -0.00837397 16
4668 138 H 14.096 19.3457 29.5469 0.0099446 0.0115169 -0.000834436 16
4669 139 H 13.2353 21.1875 28.3416 0.00138719 0.000726411 -0.00342941 16
4670 140 H 13.9112 25.3132 22.7962 -0.00316497 -0.00171412 -0.000648158 16
4671 141 H 12.4655 25.1602 24.8504 -0.000910342 -0.00396458 0.00804255 16
4672 142 H 14.2486 19.807 18.7525 -0.00317648 0.000604439 -0.00124285 16
4673 143 H 14.5008 20.0313 16.2814 -0.00101956 -0.000846178 0.00419354 16
4674 144 H 15.2317 21.4259 20.2758 -0.00491914 -0.00719384 0.000492723 16
4675 145 H 21.4435 24.1338 19.926 -0.00132642 -0.00490065 0.00984002 16
4676 146 H 21.7312 24.1447 17.4489 -0.00066669 0.0108087 0.00442682 16
4677 147 H 19.2288 23.8681 20.9569 -0.0120381 0.00507717 -0.00314919 16
4678 148 H 14.7583 28.1352 19.4387 -0.0015191 0.00128738 -0.000602045 16
4679 149 H 15.2577 28.3797 17.0113 0.002437 0.00708339 0.00979703 16
4680 150 H 17.1341 24.0486 15.8116 0.017248 0.0111699 0.00372438 16
4681 151 H 15.3358 26.1708 20.677 -0.00430703 0.00186802 0.00060043 16
4682 152 H 11.5085 23.6046 33.1471 0.0152209 0.0125588 0.00407779 16
4683 153 H 20.3866 22.1152 14.7122 0.00324233 -0.00377095 0.0145161 16
4684 154 H 18.8371 22.1328 15.5625 0.00580064 -0.00828647 -0.00293791 16
4685 155 H 18.1243 24.0046 13.8429 0.00460242 0.00185033 0.00325661 16
4686 156 H 17.8682 22.3271 13.5136 -0.00729596 0.00548876 0.00144118 16
4687 157 H 20.127 22.4072 12.1898 0.00670848 0.000323578 0.00836478 16
4688 158 H 20.0916 24.1706 12.3828 0.00881292 -0.00134016 -0.00105535 16
4689 159 H 17.7695 24.1639 11.3309 0.00188454 -0.000249924 0.0152414 16
4690 160 H 18.0272 22.4249 11.082 -0.0024282 0.00109967 -0.00256884 16
4691 161 H 20.0956 23.0162 9.67911 -0.00965649 0.000309035 0.00388601 16
4692 162 H 19.6636 24.709 9.9087 -0.00389234 0.00944921 -0.00190462 16
4693 163 H 17.5574 24.3543 8.70771 0.005303 0.0025981 -0.0115379 16
4694 164 H 17.9488 22.5726 8.46678 -0.00891611 -0.000465801 0.00208778 16
4695 165 H 19.9667 23.4467 7.15388 0.00136338 0.00329583 0.00122968 16
4696 166 H 19.1659 25.0643 7.29655 0.00778968 -0.000919287 0.00920344 16
4697 167 H 17.1907 24.1748 6.10405 -0.00830843 -0.018885 0.00923253 16
4698 168 H 17.9984 22.5947 6.07347 -0.00862382 0.000901096 -0.0142447 16
4699 169 H 19.7811 23.4625 4.59277 -0.00253517 0.000627362 0.0078704 16
4700 170 H 19.103 25.0746 4.6506 -0.00878289 0.00157483 -0.00931312 16
4701 171 H 16.9051 24.0049 3.59648 -0.00180904 0.00194737 -0.00765255 16
4702 172 H 17.8673 22.5411 3.47267 -0.00388722 0.00576409 -0.01107 16
4703 173 H 18.5895 25.2787 2.24513 -0.00137642 0.00330095 0.00376137 16
4704 174 H 17.6205 24.1304 1.34692 -0.0073786 -0.0123435 0.00419422 16
4705 175 H 20.5341 23.7735 2.20089 -0.00349698 0.00654538 0.00191552 16
4706 176 H 19.9889 24.0739 0.582021 -0.00614329 0.00393827 0.000631242 16
4707 177 H 19.5371 22.5563 1.36925 0.00562931 -0.00263303 -0.000852572 16
4708 178 H 16.0314 20.4471 13.9221 -0.0117797 -0.00851285 -0.00335583 16
4709 179 H 14.3242 20.7545 14.3362 -0.00450294 -0.00158369 -0.00404776 16
4710 180 H 14.1539 22.5173 12.6146 -0.000946625 0.00857511 0.00351384 16
4711 181 H 15.8901 22.7165 12.5757 -0.00452283 -0.000218294 0.000878846 16
4712 182 H 16.1577 20.5379 11.427 0.00115144 0.00778187 -0.00143761 16
4713 183 H 14.4423 20.2066 11.4809 0.00214937 -0.00951075 0.00858403 16
4714 184 H 13.992 22.2582 10.0489 -0.00631136 -0.0106084 -0.0042631 16
4715 185 H 15.6954 22.6812 10.1139 0.00350943 -0.00167683 0.0143403 16
4716 186 H 16.1814 20.4904 8.9514 -0.004298 -0.00738125 -0.0119146 16
4717 187 H 14.4289 20.1155 9.02117 0.0044127 -0.00151003 -0.00356989 16
4718 188 H 14.0412 22.1007 7.39176 -0.0072382 -0.00923783 -0.0169947 16
4719 189 H 15.755 22.3697 7.35565 -0.00393043 0.000306533 0.00909937 16
4720 190 H 15.9084 19.8205 6.60498 -0.0033201 0.00280057 0.00645042 16
4721 191 H 14.1801 20.014 6.25458 -0.000294216 0.00626059 0.00794611 16
4722 192 H 16.4982 21.5012 5.06154 0.00473375 -0.00676153 -0.00175644 16
4723 193 H 15.5409 20.2004 4.32582 -0.001883 0.0144032 -0.0200182 16
4724 194 H 13.5991 22.1554 4.93039 0.00566028 -0.00155398 0.0081555 16
4725 195 H 15.0081 23.1354 4.33924 0.0105934 -0.0089427 -0.0162084 16
4726 196 H 13.5928 20.8401 2.96119 -0.00767957 0.00317289 0.0013508 16
4727 197 H 13.3772 22.547 2.6336 0.00536329 0.0123285 0.00884547 16
4728 198 H 15.6562 22.9101 1.88799 0.01029 -0.00320379 0.00632413 16
4729 199 H 16.1018 21.2242 2.21218 0.00211464 2.9069e-06 -1.43215e-05 16
4730 200 H 15.4486 21.7143 -0.235186 -0.00569877 0.0188037 0.00281488 16
4731 201 H 14.5504 20.3511 0.540961 0.00204255 -0.00691543 -0.00885034 16
4732 202 H 13.7698 21.9277 0.294694 0.00407918 0.000566358 -0.000362809 16
4733 203 H 18.1745 27.54 15.6492 0.00457531 -0.0104445 0.00148171 16
4734 204 H 18.2753 25.729 15.6035 0.0177387 0.00656827 -0.00135397 16
4735 205 H 19.0192 26.3313 13.4293 -0.00109796 0.00691631 -0.00713534 16
4736 206 H 17.2625 26.0692 13.2122 -0.000539824 -0.00474674 0.0146995 16
4737 207 H 16.8373 28.4362 13.2204 0.005405 0.0229417 0.0164156 16
4738 208 H 18.4324 28.8033 13.8946 0.0147436 -0.00152113 -0.00595416 16
4739 209 H 18.3816 29.5106 11.6627 0.00145833 0.00417074 0.00254355 16
4740 210 H 19.6807 28.3687 11.9146 0.000239086 0.00687206 0.010817 16
4741 211 H 18.3424 26.5483 10.7775 -0.0137117 -0.00111192 -0.000661521 16
4742 212 H 16.9976 27.7467 10.5984 0.00327018 0.009855 -0.000954251 16
4743 213 H 18.5443 29.3133 9.4235 -0.00772352 -0.00198527 -0.00534914 16
4744 214 H 19.7062 27.9985 9.29849 -0.00162781 -0.0135196 -0.00430987 16
4745 215 H 18.0209 26.6202 8.05446 0.00563181 -0.00360964 0.00377711 16
4746 216 H 16.8648 27.9614 8.21673 -0.00012759 0.00306352 -0.00480089 16
4747 217 H 18.5395 29.3821 6.88127 0.00506493 0.000985869 -0.0105234 16
4748 218 H 19.6009 27.9785 6.75603 -0.00394418 -0.0143929 0.00861773 16
4749 219 H 17.7058 26.6145 5.80404 0.0046322 0.0041743 -0.00674799 16
4750 220 H 16.6763 28.0361 5.76875 -0.00947603 -0.0307442 0.00835835 16
4751 221 H 18.3863 29.2084 4.17275 0.00339026 -0.00287052 -0.000511407 16
4752 222 H 19.2121 27.6286 4.11409 0.0028375 0.0154881 -0.0236115 16
4753 223 H 17.119 26.5828 3.39425 -0.00817222 0.00232479 0.00311072 16
4754 224 H 16.2756 28.1077 3.50136 -0.00234053 -0.00688772 -0.00237161 16
4755 225 H 16.8949 27.6205 1.13268 -0.00395026 0.0142146 -0.00278931 16
4756 226 H 17.8773 29.034 1.64015 0.00459065 -0.0033783 0.00172405 16
4757 227 H 18.6376 27.4572 1.6326 -0.00157185 -0.0103435 0.0144899 16
4758 228 H 6.77731 24.5765 33.1678 0.00502535 -0.00738733 -0.01817 16
4759 229 H 6.94796 22.8243 33.3017 0.00758171 -0.00803212 0.0090354 16
4760 230 H 7.77525 23.1872 35.7217 0.00142854 -0.0053064 -0.00869707 16
4761 231 H 7.48122 24.8959 35.4766 -0.0144924 0.00676966 0.00759784 16
4762 232 H 4.97131 24.0052 34.7944 0.000746096 0.00311241 0.00192832 16
4763 233 H 5.47152 22.5278 35.5165 -0.0185131 0.000570828 -0.00271737 16
4764 234 H 5.52289 25.2041 36.9146 -0.00710001 0.00427737 0.011279 16
4765 235 H 4.14303 24.0309 36.9553 0.00524079 -0.00841775 -0.000702675 16
4766 236 H 5.68217 22.4365 38.2225 -0.00293603 0.00129785 0.00807108 16
4767 237 H 6.94699 23.6879 38.2144 -0.000894356 0.00364546 0.0084677 16
4768 238 H 4.8885 25.2132 39.0606 0.0213244 -0.00128911 -0.0171548 16
4769 239 H 4.25368 23.6691 39.5267 -0.00483139 0.00220078 0.00642245 16
4770 240 H 7.10314 24.2277 40.3853 -0.00255737 0.0028865 -0.0065032 16
4771 241 H 6.04349 25.4766 40.879 -0.00410938 -0.00301823 0.00635398 16
4772 242 H 4.53653 23.8772 41.973 -0.000317358 -0.000646314 -0.0149009 16
4773 243 H 5.62445 22.5392 41.5468 0.0126057 -0.00423963 0.000775445 16
4774 244 H 7.48056 23.7165 42.8931 0.000806904 -0.00420599 0.0197179 16
4775 245 H 6.46632 25.0668 43.2389 -0.000172343 -0.000414221 -0.00774525 16
4776 246 H 4.85196 23.3012 44.5136 -0.00470258 0.00310141 -0.0111811 16
4777 247 H 6.03163 22.1127 44.1985 -0.00587483 -0.000260566 0.0170368 16
4778 248 H 7.75946 23.6459 45.3943 0.00283857 0.00532226 -0.000194894 16
4779 249 H 6.50568 24.751 45.7281 0.00286522 0.00480814 -0.0069078 16
4780 250 H 6.60371 21.837 46.8542 -0.00190424 -0.0051024 0.00640812 16
4781 251 H 6.83214 23.3306 47.7137 0.00292927 0.00284949 -0.00551283 16
4782 252 H 5.242 22.9359 47.0632 0.00111797 -0.00720334 -0.000998568 16
4783 253 H 14.3757 27.3215 34.0667 -0.00105822 0.0136894 -0.0062369 16
4784 254 H 12.7177 28.0981 34.0533 -0.0129267 -0.00770222 0.00712479 16
4785 255 H 12.1689 27.1206 36.1201 -0.00101874 0.0164494 0.0113245 16
4786 256 H 13.6929 26.1945 36.1817 0.00525924 0.00528206 0.00862307 16
4787 257 H 14.8536 28.6098 36.0041 -0.0160389 0.00795781 -0.0120772 16
4788 258 H 13.3258 29.1901 36.6607 0.00282233 0.00194382 0.00587189 16
4789 259 H 14.9086 27.0081 38.0658 -0.00792423 -0.000972705 -0.00792368 16
4790 260 H 15.1297 28.6846 38.4856 -0.00197635 0.00486872 0.00208873 16
4791 261 H 12.6682 28.986 39.0114 -0.0107677 -0.000591432 -0.00909125 16
4792 262 H 12.4296 27.3464 38.5606 -0.000163989 0.00242681 -0.00332427 16
4793 263 H 12.6728 27.2471 40.9447 -0.00527366 0.00670625 -0.00676395 16
4794 264 H 14.2309 26.7182 40.4332 0.0127199 0.00875033 -0.00415199 16
4795 265 H 15.1145 29.1195 40.8797 -0.000688391 0.00525226 0.00279204 16
4796 266 H 13.4887 29.6903 41.1486 0.0066347 0.00612702 0.0186682 16
4797 267 H 13.0831 28.0598 42.9673 0.00682122 -0.00158859 0.00705019 16
4798 268 H 14.7863 27.5681 42.9149 0.00639838 0.00194282 0.00322414 16
4799 269 H 15.3676 30.026 43.5836 -0.000940199 0.000918281 0.00469945 16
4800 270 H 13.6041 30.3564 43.5315 0.00217563 -0.00352229 0.00284542 16
4801 271 H 15.2433 28.7804 45.524 -0.00151626 -0.00944465 -0.00867628 16
4802 272 H 14.0628 30.0534 45.8753 -0.00213161 -0.00123246 -6.70437e-05 16
4803 273 H 12.2213 28.4447 45.1972 0.00173292 0.00327721 0.00281267 16
4804 274 H 13.4489 27.1825 45.0464 0.0104538 0.00406781 -0.0115448 16
4805 275 H 12.4991 26.8271 47.2668 -0.000795186 0.00316254 0.0145074 16
4806 276 H 13.9174 27.8757 47.6424 -0.00565511 0.00612753 0.00297085 16
4807 277 H 12.2403 28.5249 47.4214 0.00548257 -0.00634161 0.0184308 16
4808 278 H 12.7405 18.9807 34.1207 -0.00183076 0.00987093 -0.0167294 16
4809 279 H 14.3735 19.5547 34.0311 -0.00326677 -0.0024003 -0.00342242 16
4810 280 H 12.4033 20.4086 36.1779 0.00325893 0.00356854 -0.00179366 16
4811 281 H 14.0377 21.0384 35.9832 0.00375253 0.00301936 0.00866425 16
4812 282 H 14.99 18.7637 36.4118 0.00091623 0.00400348 -0.000767817 16
4813 283 H 13.4219 18.1368 36.7871 0.00782249 -0.00373614 0.0289814 16
4814 284 H 13.0907 20.0016 38.4737 0.00432651 0.0121052 0.00429985 16
4815 285 H 14.8196 20.3076 38.3518 -0.00937025 0.0116524 0.000163862 16
4816 286 H 14.9395 17.6983 38.9118 -0.00362304 -0.00261098 0.00711404 16
4817 287 H 13.2271 17.9037 39.3529 0.00114184 -0.0118766 0.00260452 16
4818 288 H 15.4419 19.5018 40.6803 -0.000514317 0.00482259 -0.0231869 16
4819 289 H 14.6165 18.0975 41.3363 -0.00825097 -0.00188471 -0.00681155 16
4820 290 H 12.4216 19.3589 41.3545 0.0105205 -0.0164291 0.00477336 16
4821 291 H 13.3281 20.7414 40.6876 -0.0101745 -0.00167241 0.00202372 16
4822 292 H 13.1825 21.0959 43.0035 0.00948126 0.00523748 -0.000769866 16
4823 293 H 14.8421 20.6921 42.724 0.00440121 0.00060938 0.00558012 16
4824 294 H 14.1041 18.1924 43.4237 -0.0066641 -0.00242939 -0.000838248 16
4825 295 H 12.6193 19.0174 43.9758 0.000797443 -0.00879291 0.0029284 16
4826 296 H 14.3502 20.6492 45.1748 0.0129841 -0.00127944 0.00432566 16
4827 297 H 15.5198 19.4526 44.8719 0.000525836 -0.0166239 -0.0102049 16
4828 298 H 14.8217 19.1191 47.0717 0.000637833 0.0189901 0.0016682 16
4829 299 H 14.0108 17.8224 46.2041 -0.00555686 0.00330143 -0.00739628 16
4830 300 H 12.439 18.853 47.7596 -0.0199045 0.000437896 0.000183265 16
4831 301 H 11.8842 19.0868 46.1126 -0.00356076 0.0197083 0.00536086 16
4832 302 H 12.6417 20.441 46.9584 -0.00469285 -0.0016765 0.0110259 16
4833 1 C 17.7398 19.981 31.2417 -0.000211908 -0.00220959 -0.00406586 17
4834 2 C 17.8116 19.9508 29.865 -0.00195841 -9.58293e-05 0.0023958 17
4835 3 C 17.2001 18.923 29.1489 0.00252605 -0.00204487 0.00123353 17
4836 4 C 16.5396 17.897 29.8337 -0.00342509 0.0023262 -0.00054182 17
4837 5 C 16.3609 17.9794 31.2385 -0.00185907 0.00271011 0.00190668 17
4838 6 C 16.9366 19.0501 31.9452 0.000217615 -0.00196424 0.00175021 17
4839 7 C 11.8569 17.0169 30.4261 -0.000860284 0.00238063 -0.00203324 17
4840 8 C 12.0707 16.9174 29.0483 -0.00158514 0.00171499 -0.00132678 17
4841 9 C 13.3735 16.8273 28.6088 0.00257044 -0.0052671 0.000506299 17
4842 10 C 14.4698 16.7763 29.5408 -0.0032132 -0.000307718 -0.000478989 17
4843 11 C 14.2254 16.8047 30.9492 0.00314982 -0.00220927 0.00545694 17
4844 12 C 12.8791 16.9581 31.3801 0.00199277 0.00276285 -0.000119137 17
4845 13 C 17.5061 13.4072 31.527 -0.00294774 0.00285189 -0.00337854 17
4846 14 C 17.6209 13.3567 30.1063 -0.00424601 0.00261837 0.00349379 17
4847 15 C 17.1207 14.3739 29.3022 -0.00207642 0.000926597 -0.00331503 17
4848 16 C 16.4294 15.4507 29.9548 0.00240922 -0.000725898 0.00387605 17
4849 17 C 15.9107 16.6974 29.1701 0.000923574 -0.00179283 0.00370392 17
4850 18 O 16.5969 14.3289 33.567 -0.00184496 0.0026773 -0.00281209 17
4851 19 O 12.5993 16.963 32.7622 -0.00288563 -0.00198459 -1.34483e-05 17
4852 20 O 16.7552 19.1914 33.2989 0.000699931 -0.00298029 -0.00358326 17
4853 21 C 16.7635 14.4001 32.1647 0.00565038 -0.00124087 -0.0011973 17
4854 22 C 16.2438 16.6684 27.7476 -0.000510503 0.00148138 0.00187335 17
4855 23 C 16.7406 16.6791 26.635 -0.0034386 -0.00266138 -0.00212426 17
4856 24 C 17.533 16.7185 25.4744 0.00337594 -0.00154039 -0.000909819 17
4857 25 C 18.0011 15.54 24.8537 -0.000624499 0.00108135 0.00108929 17
4858 26 C 18.9198 15.5941 23.7969 0.00142598 -0.00326119 0.00522917 17
4859 27 C 19.3779 16.8662 23.363 0.000649288 -0.00382068 2.39559e-05 17
4860 28 C 18.9328 18.0329 23.9818 -7.80961e-05 -0.00159404 -0.0022772 17
4861 29 C 18.0062 17.9851 25.0358 -0.00448246 0.00750026 0.001648 17
4862 30 C 20.1514 16.973 22.178 -0.00156707 0.00135589 -0.00370456 17
4863 31 C 20.6156 17.0214 21.0808 0.00363037 6.75259e-05 9.14764e-06 17
4864 32 C 19.1763 13.803 18.6012 -0.000399106 0.00235251 0.000869661 17
4865 33 C 19.3517 13.9255 17.2126 -0.0031018 -0.00502358 -0.00515855 17
4866 34 C 19.8679 15.0726 16.6322 0.00131359 -0.00281193 -0.00280723 17
4867 35 C 20.3041 16.1026 17.473 -0.00211032 -0.000419268 -0.000954524 17
4868 36 C 20.1698 16.009 18.8683 0.000948487 -0.00209315 0.00227943 17
4869 37 C 19.558 14.8829 19.4252 0.00124674 -0.00223551 0.00177745 17
4870 38 C 20.8108 17.1651 19.6589 -0.000788104 -0.00285194 0.00422477 17
4871 39 C 24.6742 16.8785 19.2597 -0.00351445 0.00165024 -0.00056758 17
4872 40 C 24.7585 16.8898 17.8474 0.000744309 0.00114128 -0.000675751 17
4873 41 C 23.5725 17.0995 17.1061 -0.0002405 0.00343039 -0.00182031 17
4874 42 C 22.3799 17.2853 17.7615 -0.00575453 -0.000407482 0.00577256 17
4875 43 C 22.2772 17.2393 19.1725 -0.00277234 -0.00473391 -0.00130509 17
4876 44 C 23.4274 17.0433 19.9358 0.00148416 0.00574406 0.000300973 17
4877 45 C 18.7191 20.4193 19.1615 -0.00423841 0.00417029 0.00175661 17
4878 46 C 18.8175 20.496 17.7693 -0.00742889 -0.000777369 -0.00451215 17
4879 47 C 19.6036 19.5862 17.0513 -0.00176911 0.00253099 0.003385 17
4880 48 C 20.2383 18.5318 17.7336 -0.000740332 -0.00218393 0.00118351 17
4881 49 C 21.0341 17.4014 17.0371 0.003083 0.00236913 -0.00141556 17
4882 50 C 20.1124 18.3956 19.1088 0.000991623 -0.00277674 0.000514245 17
4883 51 C 19.3843 19.3636 19.8291 -0.00214698 4.23467e-05 0.00286168 17
4884 52 O 23.5616 16.9418 15.7123 0.00574017 6.5627e-05 0.000804809 17
4885 53 O 20.0349 15.1376 15.2789 -0.00477166 0.00196352 0.0010058 17
4886 54 O 19.7241 19.7376 15.6784 -0.000764399 0.00526523 -0.000765157 17
4887 55 C 15.5428 16.796 31.7708 0.00174173 0.00557478 -0.00206006 17
4888 56 C 16.2519 15.4836 31.3603 0.00122003 0.000266241 0.000401479 17
4889 57 C 24.4274 17.7433 14.9411 -0.000995831 0.0013429 -0.00590648 17
4890 58 C 23.9751 17.9233 13.4556 -0.00158397 0.000918926 -0.000716096 17
4891 59 C 22.7965 17.069 12.9446 0.00392574 0.00281629 -0.00119319 17
4892 60 C 22.3494 17.4904 11.4988 0.00412045 -0.000206216 -0.00454358 17
4893 61 C 23.0475 16.8374 10.3115 -0.00148566 0.00299199 -0.00192892 17
4894 62 C 22.7165 17.6434 9.02137 -0.000235625 -0.00113566 -0.000800635 17
4895 63 C 23.1538 16.9272 7.73821 -0.000635453 0.00282677 -0.00199331 17
4896 64 C 22.9589 17.7709 6.47726 -0.00138605 0.000211806 0.00221953 17
4897 65 C 23.1913 16.9639 5.18161 0.00397569 0.00111518 -0.000993417 17
4898 66 C 23.2945 17.906 3.95248 0.00134509 0.0018325 0.00366927 17
4899 67 C 23.5414 17.0778 2.69911 0.003492 1.87532e-05 -0.000204069 17
4900 68 C 22.2708 16.7098 1.93623 0.00224605 0.000717496 0.0022644 17
4901 69 F 19.3357 14.4805 23.1759 0.00099486 -0.000161003 0.00522912 17
4902 70 C 21.1993 14.6035 14.5908 0.00309781 -0.00430951 -0.0040931 17
4903 71 C 21.1767 13.0258 14.6055 0.00239321 0.00326714 -0.00219729 17
4904 72 C 22.1389 12.4027 13.6004 0.00123413 0.00118694 0.000176714 17
4905 73 C 21.9754 12.6209 12.0716 -0.00235276 -0.00510456 0.00226123 17
4906 74 C 22.9493 11.74 11.2765 -0.00411118 -0.000235015 0.00448429 17
4907 75 C 22.6102 11.5178 9.80606 -0.000297411 0.00171673 0.0008869 17
4908 76 C 22.8279 12.7004 8.86337 0.00133652 0.000985466 -0.000403523 17
4909 77 C 22.6604 12.2141 7.41047 0.00155551 0.00300358 -0.00197096 17
4910 78 C 22.8183 13.2586 6.27128 -0.00134225 -0.00241681 -0.00500032 17
4911 79 C 22.491 12.6059 4.92707 0.000971317 -0.00124626 -0.00239055 17
4912 80 C 22.572 13.6038 3.77532 0.00152622 0.00190636 -0.000677997 17
4913 81 C 22.41 12.8467 2.43329 0.000961795 0.000762105 -0.0036463 17
4914 82 C 18.5258 19.4597 14.9345 -0.00305658 0.000624886 0.0030275 17
4915 83 C 18.7612 19.7581 13.4583 -0.00600258 0.000209939 -0.00201296 17
4916 84 C 19.3055 18.5933 12.6589 -0.00305902 0.000376234 -2.03115e-05 17
4917 85 C 18.7536 18.4911 11.2375 0.00022449 0.00239535 -0.000162987 17
4918 86 C 19.3815 19.4647 10.2827 -0.000220966 0.00693939 -0.00149332 17
4919 87 C 18.9302 19.2026 8.83942 0.00334094 -0.000343568 -0.000933357 17
4920 88 C 19.6188 20.0194 7.72658 -0.00217907 0.000835475 -0.00428039 17
4921 89 C 19.0143 19.663 6.33866 -0.00226052 0.000259624 0.000664802 17
4922 90 C 19.8087 20.3279 5.17358 0.00452825 1.33207e-05 -0.000142449 17
4923 91 C 19.0899 20.2433 3.80437 -0.00477539 0.00277001 -0.00335458 17
4924 92 C 19.372 18.9128 3.0526 0.00434353 -0.000349556 -0.000430738 17
4925 93 C 19.0852 19.0707 1.52809 -0.00220336 -0.00123576 -0.000340157 17
4926 94 C 11.2453 17.2705 33.2654 -0.000319466 -0.00194628 -0.00211753 17
4927 95 C 11.0813 16.9189 34.7674 0.00291204 -0.000154407 0.00285911 17
4928 96 C 9.64406 16.9527 35.3874 -0.0024865 0.00217509 0.00409598 17
4929 97 C 9.6205 16.6284 36.8971 0.000766501 -0.000961033 0.00443028 17
4930 98 C 10.2672 17.7432 37.7467 -0.003333 -0.00230854 0.00273485 17
4931 99 C 9.91101 17.7483 39.2925 -0.000360616 0.00353122 0.000842815 17
4932 100 C 9.68866 16.3406 39.9032 -0.000696784 0.00288053 -0.00149185 17
4933 101 C 9.61202 16.378 41.4722 -0.00209654 -0.000700823 -0.00451592 17
4934 102 C 10.8849 16.9101 42.1412 -0.00191614 -0.0025804 -0.00134686 17
4935 103 C 11.0425 16.4616 43.6159 -0.0086386 -0.00305885 -0.00058568 17
4936 104 C 10.0462 17.0773 44.5951 0.000645589 -0.00270895 0.00270547 17
4937 105 C 10.3024 16.6865 46.079 -0.00254494 -0.0014187 -0.00432221 17
4938 106 C 17.4187 20.2784 33.9777 0.00321118 -0.000897981 -0.00329277 17
4939 107 C 16.9667 20.4956 35.4003 -0.00153353 0.00347049 0.000947223 17
4940 108 C 17.7451 21.6146 36.0553 0.00119221 0.000607591 0.000710976 17
4941 109 C 17.4456 21.8307 37.5417 0.00174201 0.00445295 0.00190198 17
4942 110 C 17.7869 20.6261 38.4196 -0.000899221 -0.00488189 -0.000363643 17
4943 111 C 18.1227 20.9138 39.9025 0.00603093 -0.00314795 -0.00111361 17
4944 112 C 17.1986 21.906 40.6277 0.00364704 -0.00147795 0.00199193 17
4945 113 C 17.659 22.0999 42.1169 0.00271831 0.00499891 -0.00345261 17
4946 114 C 17.8831 20.8192 42.9035 0.00171814 0.00472899 -0.00111962 17
4947 115 C 18.5309 21.0539 44.3109 -0.00367073 0.00197705 -0.00542892 17
4948 116 C 17.6083 21.7477 45.293 0.00157619 0.000145362 0.00586722 17
4949 117 C 18.3312 21.7432 46.6814 0.00148111 0.000284765 0.00463126 17
4950 118 C 17.3886 13.408 34.3711 0.00478823 0.00421896 -0.000464778 17
4951 119 C 16.8658 13.3444 35.8318 -0.000571459 -0.000553548 -0.00069388 17
4952 120 C 17.7589 12.5778 36.8144 -6.63746e-05 -0.00306655 0.00215806 17
4953 121 C 17.0905 12.3795 38.2054 -0.00224677 0.000564057 0.00288108 17
4954 122 C 18.0535 12.1941 39.3814 -0.00259497 0.00131271 -0.000496737 17
4955 123 C 17.2478 11.9474 40.6619 0.000902261 -0.00219047 0.00303537 17
4956 124 C 18.0584 12.3756 41.9123 -0.000579069 0.00546994 0.00288057 17
4957 125 C 17.3702 11.9667 43.2161 -0.00382114 0.000288756 -0.00162096 17
4958 126 C 18.1172 12.4739 44.4689 -0.000107431 0.00196692 -0.00268096 17
4959 127 C 17.4396 11.8913 45.6718 0.00114886 -0.000264612 0.00161293 17
4960 128 C 18.2672 12.0716 46.9641 0.000404828 -0.00444819 -0.0026706 17
4961 129 C 17.5826 11.4032 48.1973 -0.00177901 -0.00300451 -0.00202312 17
4962 130 F 17.5478 14.3514 25.2731 -0.000573075 0.000356703 0.00165075 17
4963 131 H 18.2703 20.7885 31.7377 -0.0102789 -0.000195721 0.0034223 17
4964 132 H 18.3063 20.7358 29.3007 0.000854652 -0.00465124 -0.00148 17
4965 133 H 17.2471 18.9604 28.0646 0.00549128 -0.0112497 0.0010484 17
4966 134 H 10.8198 17.1935 30.6957 -0.00291511 0.0113648 -0.015663 17
4967 135 H 11.2454 17.0521 28.3555 -0.0104204 -0.00138432 0.00858986 17
4968 136 H 13.4851 16.7712 27.53 0.00330991 -0.00741238 0.000694766 17
4969 137 H 17.8955 12.5519 32.0712 -0.00488317 0.00875025 0.00725558 17
4970 138 H 18.1992 12.582 29.6116 0.0067336 0.0031012 0.0155722 17
4971 139 H 17.3644 14.3624 28.2439 -0.00958467 -0.000560589 -0.0050164 17
4972 140 H 19.2444 18.9969 23.5908 0.00863328 -0.00627798 -0.00687458 17
4973 141 H 17.689 18.9393 25.4461 -0.00350706 0.0064096 0.00492123 17
4974 142 H 18.7266 12.9244 19.0543 -0.00405341 0.00452688 0.00146715 17
4975 143 H 19.1303 13.0538 16.6039 -0.00916971 0.00832762 -0.0220443 17
4976 144 H 19.4448 14.818 20.5034 0.0154949 -0.00183755 0.00330777 17
4977 145 H 25.578 16.5747 19.7796 -0.00544587 -0.0090392 -0.00340065 17
4978 146 H 25.7055 16.7392 17.3376 0.00109323 0.00658968 -0.00165478 17
4979 147 H 23.401 16.988 21.0201 -0.00201023 0.00762202 0.000308552 17
4980 148 H 18.1365 21.1209 19.7513 -0.00110325 0.00500669 0.00386345 17
4981 149 H 18.3043 21.3039 17.2562 0.00188614 0.00422345 -0.005971 17
4982 150 H 21.1084 17.5714 15.9559 -0.00633035 0.00580851 -0.00152832 17
4983 151 H 19.2375 19.2952 20.9029 -0.00431948 0.00515387 0.00289608 17
4984 152 H 15.364 16.857 32.8514 -0.00357094 -0.0121832 -0.00193156 17
4985 153 H 24.3692 18.7317 15.4134 -0.00363625 -0.00245858 0.00174196 17
4986 154 H 25.4717 17.409 14.9746 0.00111644 0.00858353 0.000595448 17
4987 155 H 24.8315 17.7258 12.7991 4.76388e-05 0.00118355 0.00133365 17
4988 156 H 23.7932 18.9912 13.2828 -0.00505385 -0.00251686 -0.0183018 17
4989 157 H 21.902 17.2308 13.5586 -0.0023845 -0.00594218 -0.00805133 17
4990 158 H 23.0746 16.0091 12.9954 0.00928796 0.00434153 0.0014155 17
4991 159 H 22.3357 18.5806 11.3773 -0.0129037 0.000668909 0.005119 17
4992 160 H 21.303 17.1722 11.4144 0.00226352 0.00211238 0.00963015 17
4993 161 H 22.7349 15.7957 10.1682 -0.0110524 0.00369622 0.0140334 17
4994 162 H 24.1359 16.8291 10.4485 -0.00176412 0.0115361 0.000739773 17
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4996 164 H 21.6327 17.8129 9.01398 -0.000184129 0.000510804 0.0243077 17
4997 165 H 22.6426 15.9615 7.63999 0.00419309 0.000207022 -0.00143213 17
4998 166 H 24.2214 16.6825 7.79891 -0.00249817 -0.00114222 0.0146607 17
4999 167 H 23.6275 18.6406 6.4702 -0.0135277 0.00957993 0.0041031 17
5000 168 H 21.9366 18.1677 6.50633 -0.000813874 0.00309036 -0.0177753 17
5001 169 H 22.3454 16.2711 5.09332 0.00502431 8.45995e-05 -0.00291599 17
5002 170 H 24.1129 16.3699 5.21819 0.000723676 -0.00430078 -0.00679272 17
5003 171 H 24.0935 18.6474 4.07577 0.00531366 0.00216855 -0.023899 17
5004 172 H 22.3858 18.5142 3.86391 -0.00415586 -0.00751781 -0.00395491 17
5005 173 H 24.0644 16.1468 2.95025 0.016866 0.0102413 0.00976841 17
5006 174 H 24.1553 17.6237 1.97208 -0.00709462 0.00875559 -0.00259326 17
5007 175 H 21.6458 16.0518 2.55253 -0.00515872 -0.00186999 -0.00799816 17
5008 176 H 22.486 16.131 1.02953 -0.010558 -0.000270055 -0.00015441 17
5009 177 H 21.6714 17.6025 1.71893 -0.00133435 -0.00532844 -0.0125682 17
5010 178 H 21.2492 14.925 13.5432 0.00246033 -0.0177494 -0.00826684 17
5011 179 H 22.1324 14.9049 15.0828 0.00382395 -0.00677779 -0.00394791 17
5012 180 H 21.4091 12.6856 15.6223 -0.00544125 -0.00424418 -0.00291511 17
5013 181 H 20.155 12.663 14.4382 0.00168268 0.00592497 -0.00362404 17
5014 182 H 23.1641 12.7086 13.8432 0.00467915 -0.00710845 -0.00386443 17
5015 183 H 22.154 11.3234 13.7962 -0.000777757 -0.00092039 -0.0112912 17
5016 184 H 20.9621 12.3486 11.7513 0.00193153 -0.0166304 -0.00150938 17
5017 185 H 22.1335 13.6764 11.8178 -0.0049024 -0.00304202 0.00925053 17
5018 186 H 23.9495 12.1839 11.3538 0.000695276 -0.00751415 -0.0162375 17
5019 187 H 23.0036 10.7733 11.7923 -0.00866918 0.00151911 0.00826525 17
5020 188 H 23.3112 10.745 9.46743 0.00143133 0.00206488 0.00367595 17
5021 189 H 21.6253 11.0474 9.69604 -0.00658682 0.015745 -0.00256069 17
5022 190 H 22.163 13.547 9.07431 0.00256507 6.68216e-06 0.00738021 17
5023 191 H 23.8531 13.0725 8.98105 0.00214106 -0.000934227 -0.00134531 17
5024 192 H 23.3787 11.4165 7.18389 -0.00312321 -0.00122688 -0.00191671 17
5025 193 H 21.6885 11.7117 7.33094 0.00162446 0.00342223 -0.00543455 17
5026 194 H 22.1017 14.0688 6.45409 -0.00741489 -0.0115525 0.0117653 17
5027 195 H 23.8208 13.704 6.27095 -0.00468062 0.00514184 0.00714431 17
5028 196 H 23.1794 11.7724 4.74069 0.00566391 0.0051552 -0.0137003 17
5029 197 H 21.4903 12.1573 4.90113 -0.00223857 0.0060602 -0.00495799 17
5030 198 H 21.7845 14.3403 3.97733 -0.00140655 -0.00371314 0.00848471 17
5031 199 H 23.5059 14.1713 3.87064 0.00435777 -0.00157565 -0.00793917 17
5032 200 H 22.4915 13.533 1.5814 0.0116781 -0.000933875 -0.0039856 17
5033 201 H 23.1588 12.0598 2.27991 0.0023905 0.00483241 -0.0175825 17
5034 202 H 21.4203 12.3756 2.38984 -0.000854972 0.00342225 0.00880194 17
5035 203 H 18.337 18.39 15.088 -0.00450359 0.0016291 0.008258 17
5036 204 H 17.7167 20.0603 15.368 0.00627257 0.00649586 0.0123756 17
5037 205 H 17.7738 19.9765 13.0332 -0.00873364 0.0115377 0.0101759 17
5038 206 H 19.4133 20.628 13.3118 0.00194234 -0.00414939 0.00751085 17
5039 207 H 20.4011 18.6466 12.6708 -0.00348804 0.0140171 -0.0242922 17
5040 208 H 19.0895 17.6493 13.1744 -0.00572128 0.0076256 0.012138 17
5041 209 H 18.9081 17.464 10.8845 0.00203356 0.00337166 -0.00220913 17
5042 210 H 17.6741 18.6828 11.2026 0.000686224 0.006231 0.0067204 17
5043 211 H 19.1714 20.4895 10.6126 -0.00763735 0.00509272 -0.000516439 17
5044 212 H 20.476 19.4064 10.3286 -0.00100098 -0.00449365 0.00217308 17
5045 213 H 19.032 18.1339 8.6135 -0.00177718 -0.00562582 0.021684 17
5046 214 H 17.8734 19.4924 8.78955 0.00115841 -0.00956909 -0.0077652 17
5047 215 H 19.5516 21.1044 7.87388 0.00391552 0.000383399 0.00180055 17
5048 216 H 20.6908 19.7867 7.71936 -0.0048975 -0.0119855 0.00676152 17
5049 217 H 18.9165 18.5899 6.13316 -0.00478133 0.00023254 0.00201647 17
5050 218 H 18.0161 20.1177 6.32728 0.00291917 0.0119225 0.0104275 17
5051 219 H 19.9593 21.3783 5.45173 0.00884501 -0.00355807 0.011071 17
5052 220 H 20.8472 19.9812 5.10572 0.00589305 0.00412354 -0.000406674 17
5053 221 H 17.9979 20.2801 3.90202 -0.00386693 0.00651266 0.00526072 17
5054 222 H 19.4948 21.0495 3.18022 -0.00173331 0.00944936 0.00725133 17
5055 223 H 20.3953 18.5405 3.18552 0.00368877 -0.00133357 0.00185072 17
5056 224 H 18.7259 18.1491 3.50289 -0.0049135 -0.00171929 -0.0160684 17
5057 225 H 18.0253 19.3342 1.42502 -0.00163002 -0.00117374 -0.00598619 17
5058 226 H 19.6349 19.9112 1.08668 -0.0105196 -0.00114789 -0.0105453 17
5059 227 H 19.3287 18.1384 1.00377 -0.0127821 -0.000209411 -0.00705162 17
5060 228 H 11.0651 18.3449 33.1367 -0.00897349 -0.00215159 0.00819814 17
5061 229 H 10.51 16.6608 32.726 -0.0104197 0.0101112 -0.00194031 17
5062 230 H 11.4334 15.8915 34.9215 0.00780466 0.00114118 0.00028998 17
5063 231 H 11.6727 17.6345 35.3517 0.00553877 0.00628743 -0.00768594 17
5064 232 H 9.19704 17.941 35.224 0.00603011 0.00471984 -0.00379518 17
5065 233 H 9.00709 16.2559 34.8286 -0.00498111 0.00549534 0.00280465 17
5066 234 H 8.5857 16.4597 37.2198 0.00162515 0.00102564 0.00822589 17
5067 235 H 10.1668 15.7111 37.1489 0.00150248 0.000405007 0.00783816 17
5068 236 H 11.3506 17.6312 37.6162 -0.00573033 -0.00759051 -0.0127414 17
5069 237 H 10.0623 18.743 37.3446 -0.0119356 -0.00444637 0.00183176 17
5070 238 H 10.7006 18.2759 39.8417 0.000578572 -0.000960134 0.00381723 17
5071 239 H 8.96125 18.2654 39.477 0.00719204 0.0180214 -0.00107715 17
5072 240 H 8.76081 15.9076 39.5095 0.00144103 -0.00356407 0.000560297 17
5073 241 H 10.5089 15.6881 39.5795 -0.00336752 -0.0036244 0.00487065 17
5074 242 H 8.69376 16.9203 41.7294 -0.00685431 -0.00759133 -0.00686542 17
5075 243 H 9.40064 15.3482 41.7855 0.0013104 -0.00135775 -0.00439344 17
5076 244 H 11.7946 16.6091 41.6071 0.00159062 0.0019649 0.00204172 17
5077 245 H 10.8989 18.007 42.1386 0.0125158 -0.00274849 -0.000929916 17
5078 246 H 10.9248 15.3763 43.7249 0.0101115 -0.00441731 0.00601647 17
5079 247 H 12.0533 16.7355 43.9422 -0.00967678 0.00575599 -0.00475385 17
5080 248 H 10.1439 18.168 44.5298 -0.00554957 -0.00210912 0.0035554 17
5081 249 H 9.04429 16.7633 44.2772 -0.00529193 0.0158277 0.00317878 17
5082 250 H 9.50994 17.0763 46.7296 -0.00392545 0.0123039 -0.0142344 17
5083 251 H 10.2739 15.5914 46.1369 -0.00965509 -0.00133602 -0.00619292 17
5084 252 H 11.2576 17.02 46.503 -0.00392145 0.00738518 -0.00815761 17
5085 253 H 18.4821 20.0094 33.9816 -0.000206157 -0.0144171 -0.000390065 17
5086 254 H 17.3077 21.2477 33.4761 0.00872953 -6.07784e-05 -0.00290941 17
5087 255 H 15.915 20.7896 35.296 -0.00427121 -0.00820476 -0.00447372 17
5088 256 H 17.0552 19.5643 35.9733 -0.00447005 -0.00201559 -0.00751655 17
5089 257 H 18.822 21.4599 35.9148 -0.00102747 -0.00882684 -0.00591561 17
5090 258 H 17.5487 22.5404 35.5006 -0.0113245 -0.00354786 -0.00179758 17
5091 259 H 18.0909 22.6748 37.8143 0.00994439 -0.00129127 0.000311536 17
5092 260 H 16.415 22.1646 37.7147 0.00495744 0.0114591 0.00758134 17
5093 261 H 16.9597 19.9067 38.379 -0.0079695 0.0029329 0.00514144 17
5094 262 H 18.6735 20.0968 38.0492 -0.000115646 -0.00859117 0.00676999 17
5095 263 H 18.113 19.9321 40.3919 -0.00517573 -5.23149e-05 0.00483465 17
5096 264 H 19.1567 21.2612 40.0185 0.00603722 -0.00563557 0.00635683 17
5097 265 H 17.1546 22.8775 40.1201 -0.000183252 0.000205824 0.00554147 17
5098 266 H 16.1923 21.4696 40.6467 0.00377623 -0.00160515 0.00616022 17
5099 267 H 18.6094 22.647 42.0877 0.00953074 -0.00693413 -0.00568842 17
5100 268 H 16.8795 22.7327 42.5589 -0.00727431 -0.00961931 -0.000152521 17
5101 269 H 16.9291 20.2779 42.9206 0.00394703 0.000704735 -0.00420599 17
5102 270 H 18.611 20.1815 42.3868 0.00560653 0.00328546 0.00613371 17
5103 271 H 18.7354 20.0558 44.7177 -0.00629031 -0.00207678 -0.0140184 17
5104 272 H 19.4917 21.5794 44.2464 -0.00172228 -0.00159398 -0.00561055 17
5105 273 H 17.4342 22.7524 44.8883 -0.00127348 0.00130787 0.00999914 17
5106 274 H 16.6478 21.2307 45.4094 -0.00199638 0.00613645 0.00294998 17
5107 275 H 17.777 22.2472 47.4828 -0.00112169 -0.00399065 0.00551473 17
5108 276 H 18.5204 20.706 46.9845 -0.00278941 -0.00577373 -0.0133956 17
5109 277 H 19.2999 22.2554 46.6303 0.00269217 -0.00310171 -0.00617904 17
5110 278 H 17.3133 12.4106 33.9206 0.0114455 0.00685313 -0.00742977 17
5111 279 H 18.427 13.7611 34.3495 0.00847144 -0.00806778 -0.0230899 17
5112 280 H 15.8602 12.9324 35.6821 0.000915476 -0.00265186 -0.00496046 17
5113 281 H 16.662 14.3446 36.2335 -0.00369512 0.000899447 -0.00588206 17
5114 282 H 18.6797 13.1318 37.0348 -0.00729248 0.00389621 0.0149631 17
5115 283 H 17.9906 11.5824 36.4159 -0.00984413 0.00041561 -0.0121986 17
5116 284 H 16.3515 11.5688 38.1932 0.00809384 -0.00885708 0.00237242 17
5117 285 H 16.5673 13.3244 38.3974 0.000186031 0.00264387 -0.000682822 17
5118 286 H 18.7261 13.0592 39.4328 0.00075369 -0.000573179 -0.0120549 17
5119 287 H 18.7162 11.3394 39.1981 -0.00756745 -0.000429798 -0.010347 17
5120 288 H 16.8832 10.9236 40.8112 0.0237757 -0.0114949 -0.00552787 17
5121 289 H 16.2836 12.4706 40.6606 0.00399579 0.00340944 -0.00825973 17
5122 290 H 18.2616 13.4535 41.8964 -0.00404626 0.0061892 0.00761996 17
5123 291 H 19.0568 11.9211 41.9011 -0.00108293 0.00445754 -0.000768629 17
5124 292 H 17.3947 10.8702 43.1957 0.00884033 0.000511391 0.00059742 17
5125 293 H 16.3316 12.3189 43.2418 -0.00495314 -0.00224283 -0.0129165 17
5126 294 H 18.125 13.5706 44.4923 0.0032302 0.00166438 0.00986026 17
5127 295 H 19.1498 12.1193 44.362 -0.00406907 -0.00966023 -0.00247704 17
5128 296 H 17.434 10.8134 45.4683 -0.00574127 -0.000943279 0.00550213 17
5129 297 H 16.418 12.2709 45.797 -0.00307323 -0.00578568 -0.0162435 17
5130 298 H 18.3972 13.1455 47.1464 -0.00077067 -0.00621126 0.00852479 17
5131 299 H 19.2708 11.6585 46.8046 0.00192353 -0.00376784 0.00516149 17
5132 300 H 17.5935 10.3099 48.1085 -0.00478962 -0.00184937 -0.0166759 17
5133 301 H 16.5249 11.6578 48.3387 -0.000241716 0.00429157 -0.00377627 17
5134 302 H 18.087 11.7137 49.1206 -0.00447695 -0.00111316 -0.00118129 17
5135 1 C 21.2586 27.0077 31.7603 -0.000937989 0.00159125 0.00565731 18
5136 2 C 21.4652 26.9623 30.4069 0.000496161 -0.00289255 -0.000986895 18
5137 3 C 20.8879 25.9342 29.6823 -0.00108276 -0.00178226 -0.00016698 18
5138 4 C 20.3235 24.8421 30.3883 0.00206488 0.00140688 0.000284469 18
5139 5 C 20.108 24.8824 31.7999 -0.00310773 0.00380787 -0.000151865 18
5140 6 C 20.6035 26.0252 32.507 -0.000431873 -0.000771224 8.09335e-05 18
5141 7 C 15.7289 23.245 31.0603 -0.00530597 0.00207248 0.00458006 18
5142 8 C 15.9586 23.2077 29.6948 0.00238829 0.00250157 0.000142759 18
5143 9 C 17.2515 23.3686 29.2066 0.00230849 -0.000380427 -0.00476621 18
5144 10 C 18.3158 23.5101 30.1274 0.00346164 -0.00269761 0.000520299 18
5145 11 C 18.1041 23.5086 31.5223 0.00279041 -0.000891426 -0.00352166 18
5146 12 C 16.7588 23.409 32.0217 -0.00242905 -0.00488579 0.00475277 18
5147 13 C 21.4267 20.2348 31.8489 -2.67556e-05 -0.00402201 -0.00306313 18
5148 14 C 21.5524 20.2594 30.4884 0.0017706 0.00353985 -0.000927673 18
5149 15 C 21.107 21.3716 29.754 -0.00510583 -0.00217765 -0.00127367 18
5150 16 C 20.443 22.4293 30.4107 0.00345385 -8.07735e-05 -0.00116011 18
5151 17 C 19.7783 23.5917 29.7182 0.00224157 -0.00296632 0.00250702 18
5152 18 O 20.6112 21.1495 33.9146 0.000177569 0.0019416 0.00156348 18
5153 19 O 16.4786 23.529 33.3637 -0.000556036 0.00299703 0.00124721 18
5154 20 O 20.5351 26.1634 33.8979 0.00185069 -0.00175241 0.00153762 18
5155 21 C 20.789 21.2876 32.5606 0.000537279 0.00423668 0.00217039 18
5156 22 C 20.1067 23.5625 28.2593 -0.000862264 0.000448457 -0.00280865 18
5157 23 C 20.5727 23.569 27.1306 0.00328332 -0.000140572 0.00336824 18
5158 24 C 21.3314 23.5578 25.9234 -0.0026248 0.00324577 -0.00356803 18
5159 25 C 21.0456 24.433 24.8589 -0.00323266 -0.0021653 0.000732034 18
5160 26 C 21.8887 24.5007 23.7384 -0.00254539 0.000664044 -0.00218266 18
5161 27 C 23.0364 23.6567 23.6984 -0.000892028 -0.000793323 0.00162276 18
5162 28 C 23.3045 22.7649 24.7537 -0.00165457 0.00105334 0.0020184 18
5163 29 C 22.42 22.7041 25.857 0.00208297 -0.00345141 -0.00266146 18
5164 30 C 23.9053 23.6952 22.5962 0.00153864 0.00177803 -0.00329738 18
5165 31 C 24.4419 23.7749 21.514 0.00168978 -0.00421023 0.00141372 18
5166 32 C 22.5574 20.8514 18.9645 0.00287163 0.00034811 -0.000398184 18
5167 33 C 22.6513 20.9911 17.5537 -0.00156451 0.00294024 -0.0025111 18
5168 34 C 23.3503 22.0557 17.0148 0.000953666 0.00644512 -0.00254057 18
5169 35 C 24.0134 22.9357 17.8785 0.0023995 -0.00129602 -0.00252159 18
5170 36 C 23.8897 22.8103 19.2644 -0.000161594 -0.00303406 0.00289145 18
5171 37 C 23.1272 21.7722 19.814 0.0029432 0.000273191 -0.00138248 18
5172 38 C 24.686 23.9034 20.0436 0.00270579 -0.0032916 0.00029727 18
5173 39 C 28.5357 23.6128 19.5941 -0.00342737 -0.000136875 0.00290857 18
5174 40 C 28.6179 23.6836 18.2065 0.00100043 0.00313515 -1.22317e-05 18
5175 41 C 27.4386 23.6988 17.4321 0.00478724 0.00229101 0.00271648 18
5176 42 C 26.2025 23.7651 18.0593 -0.00174225 -0.00579792 0.0068298 18
5177 43 C 26.1217 23.7356 19.484 -0.00213671 -0.00312029 -0.00142124 18
5178 44 C 27.2912 23.5675 20.2354 0.000221194 0.00114515 -2.78015e-05 18
5179 45 C 23.3646 27.4506 19.4812 -5.24592e-05 0.00286903 0.000401811 18
5180 46 C 23.5411 27.557 18.104 -0.000685166 0.00174982 -0.00230571 18
5181 47 C 24.07 26.5099 17.3659 -0.00171058 -0.00056503 0.0011972 18
5182 48 C 24.3969 25.302 18.0537 0.000178733 0.00162343 0.00458422 18
5183 49 C 24.909 24.0502 17.3835 0.00109186 0.00464113 -0.00206008 18
5184 50 C 24.2376 25.2201 19.4644 -0.000602271 -0.000782404 0.00183744 18
5185 51 C 23.7147 26.288 20.1823 0.00341062 0.000917993 0.00295517 18
5186 52 O 27.5452 23.8849 16.0777 -0.000676919 -0.00171357 0.00148184 18
5187 53 O 23.3407 22.2875 15.6745 0.00637185 0.00243478 -0.000702167 18
5188 54 O 24.2953 26.6483 16.0138 0.00207899 -0.000567313 0.00226136 18
5189 55 C 19.4149 23.6069 32.374 -0.000824401 0.00131537 0.00205841 18
5190 56 C 20.2732 22.4098 31.8359 -0.0030913 0.000546952 0.00608634 18
5191 57 C 27.6558 22.7 15.2949 -0.00479337 0.00167876 -0.00318398 18
5192 58 C 26.6286 22.7938 14.194 -0.00383623 0.000985555 0.000722925 18
5193 59 C 27.2279 23.401 12.9206 0.00424239 0.000195583 -0.00144749 18
5194 60 C 26.2568 23.4228 11.7195 4.91906e-05 0.000556742 0.00585482 18
5195 61 C 26.9334 23.8579 10.4161 -3.36625e-05 -0.00158077 -0.00497149 18
5196 62 C 26.0917 23.7675 9.12082 0.001668 0.00122087 0.00105703 18
5197 63 C 26.9382 24.0918 7.81346 0.00293763 0.00262999 -0.00334483 18
5198 64 C 26.1925 23.8487 6.49267 0.000635022 0.000819498 0.000242245 18
5199 65 C 27.0364 24.0664 5.23263 -0.00495705 -0.00362282 0.00499095 18
5200 66 C 26.2353 23.756 3.89758 -0.00101724 -0.00226195 0.000452885 18
5201 67 C 26.9478 24.2445 2.6177 -0.00384497 -0.00209363 0.0012287 18
5202 68 C 26.4247 23.5873 1.33982 -0.00180929 0.00434783 -0.000619478 18
5203 69 F 21.6085 25.3921 22.7277 0.00238762 -0.0015899 -0.00300943 18
5204 70 C 23.2612 21.3351 14.6254 0.00323471 -0.00116001 -0.00282973 18
5205 71 C 23.0496 22.1746 13.3369 -0.000752083 0.00301978 -0.000449121 18
5206 72 C 23.0355 21.296 12.0621 -0.00127267 0.00314833 0.000646505 18
5207 73 C 22.8519 22.0971 10.7798 -0.00132202 0.00411603 0.00132388 18
5208 74 C 23.0208 21.2847 9.5194 0.00325061 -0.000800343 -0.00083241 18
5209 75 C 22.7747 22.1367 8.28893 0.0028078 -0.00372933 -0.000502338 18
5210 76 C 23.2346 21.4412 6.99749 1.00574e-05 0.00092888 0.000140458 18
5211 77 C 22.982 22.335 5.77677 0.00146495 -0.00325745 0.00549677 18
5212 78 C 23.3146 21.5369 4.52509 0.00130561 -0.000652834 -0.00282487 18
5213 79 C 22.5463 22.0878 3.33595 0.00510498 -0.00236362 -0.00361265 18
5214 80 C 22.531 21.124 2.10407 0.000564509 0.000963855 -0.00365408 18
5215 81 C 23.9352 20.6117 1.71284 -0.00221161 -0.00474138 0.0013842 18
5216 82 C 25.5476 27.1623 15.5256 -0.00642618 -0.00341523 0.000914745 18
5217 83 C 25.4913 27.1424 13.97 -0.00289814 0.000451288 -0.00245386 18
5218 84 C 26.2689 28.1997 13.2337 -0.00192203 -0.00480479 0.00236304 18
5219 85 C 26.455 27.8842 11.715 0.00324719 -0.000955873 0.00185293 18
5220 86 C 25.2415 28.1908 10.8323 -0.00292279 -0.000180635 0.000471368 18
5221 87 C 25.3847 27.7756 9.32255 -0.00218568 -0.00187584 0.000789213 18
5222 88 C 26.4721 28.538 8.55846 -0.000808576 -0.000714455 0.00251517 18
5223 89 C 26.3165 28.7206 7.00251 -0.000362473 0.00176055 0.0012995 18
5224 90 C 26.084 27.4084 6.27155 0.00143459 0.00107257 5.02121e-06 18
5225 91 C 25.6503 27.6615 4.81316 -0.00195796 0.00500172 0.00160867 18
5226 92 C 26.6512 28.3559 3.90043 -0.004971 0.000112143 0.00328727 18
5227 93 C 26.1538 28.5158 2.42698 0.00162865 0.00345448 -0.00241928 18
5228 94 C 15.1328 23.2366 33.7868 -0.00458074 0.000474744 -0.00376828 18
5229 95 C 14.8927 23.7683 35.2406 -0.00106828 0.00207254 0.00347992 18
5230 96 C 13.4454 23.5448 35.7636 -0.00144977 0.00105609 0.00307612 18
5231 97 C 13.2938 23.3468 37.3013 -0.00467451 -0.00173429 0.00214187 18
5232 98 C 13.9243 24.4409 38.1915 0.000994985 -0.00025012 0.0022714 18
5233 99 C 14.3822 23.9914 39.5844 0.00188308 0.00335907 -0.00051707 18
5234 100 C 13.2053 23.7927 40.4961 -0.00218763 0.000337782 -0.00172972 18
5235 101 C 13.5255 23.5007 41.9728 -0.00034817 -0.00289461 -0.00116188 18
5236 102 C 14.0131 24.7347 42.7341 -0.00129141 0.00227516 -0.00541933 18
5237 103 C 14.4096 24.3474 44.1899 0.000183286 0.00290826 0.00149963 18
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5239 105 C 13.7946 23.3377 46.4591 -0.00190797 -0.00108876 0.000651073 18
5240 106 C 20.5503 27.5074 34.4292 -0.0023904 0.00179935 -0.00246288 18
5241 107 C 20.6108 27.5294 35.9862 -0.000818317 -0.00287279 0.00271988 18
5242 108 C 21.5694 28.6213 36.56 0.0042121 -0.00492806 -0.00250811 18
5243 109 C 21.4383 28.8231 38.0779 0.00232741 -0.00222227 -0.000735264 18
5244 110 C 21.7775 27.567 38.8688 0.00119024 -0.000835766 0.0016117 18
5245 111 C 22.2899 27.8311 40.292 -0.000163368 0.000947785 0.00228378 18
5246 112 C 21.2452 28.4915 41.2143 -0.00173912 0.00156499 -0.000200942 18
5247 113 C 21.7846 28.7835 42.625 -0.00304211 0.00183813 0.00228151 18
5248 114 C 22.1167 27.5311 43.4788 0.00124293 0.00157259 0.00138389 18
5249 115 C 22.6168 27.7841 44.905 -0.00153009 -0.00167749 -0.00248051 18
5250 116 C 21.501 28.3733 45.8125 0.0017673 -0.000614191 -1.25106e-06 18
5251 117 C 22.052 28.7316 47.1721 -0.00305471 -0.00181406 -0.00535585 18
5252 118 C 21.3637 20.0915 34.6036 -0.00111531 -0.00144018 -0.00209847 18
5253 119 C 20.9984 20.0138 36.0744 0.00227084 -0.00184595 0.000907439 18
5254 120 C 21.9033 19.17 36.9528 -0.000900002 -0.0029699 0.00152819 18
5255 121 C 21.377 18.9983 38.379 -8.26813e-05 -0.00100035 -0.0015212 18
5256 122 C 22.4898 18.3514 39.198 -0.00124511 -0.000759087 -0.000713674 18
5257 123 C 22.0248 18.0025 40.602 0.00131944 0.00101268 0.000112091 18
5258 124 C 21.8582 19.172 41.5994 0.000502928 -0.00324663 0.00232966 18
5259 125 C 21.4084 18.6596 42.9995 0.00179046 -0.00349611 -0.00209029 18
5260 126 C 21.8344 19.6123 44.1587 -0.000394707 -0.000484052 -0.000636502 18
5261 127 C 21.8684 18.8924 45.4977 0.000639456 -0.00223053 -0.00314497 18
5262 128 C 22.6558 19.6756 46.5548 0.00182456 -0.00620097 -0.00534259 18
5263 129 C 22.6794 18.9562 47.9228 -0.00337574 0.00423723 0.00272876 18
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5315 181 H 23.8317 22.9417 13.2809 0.00681732 -0.0036726 0.0133552 18
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5325 191 H 22.6369 20.5266 6.8991 0.00292031 -0.00105853 0.000917075 18
5326 192 H 21.9137 22.584 5.77568 0.00291816 0.00293994 0.00543082 18
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5330 196 H 21.5175 22.3125 3.64316 0.00388004 -0.00210548 -0.00791028 18
5331 197 H 22.9967 23.0345 3.01294 -0.00492238 0.00275776 -0.00258197 18
5332 198 H 21.9038 20.2719 2.39367 0.0129314 -0.0111086 -0.0124743 18
5333 199 H 22.0083 21.5668 1.24728 0.000195651 0.0132305 0.00292395 18
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5338 204 H 26.2956 26.4463 15.888 0.0020997 0.0125474 0.014769 18
5339 205 H 25.9297 26.1926 13.6397 0.00607034 0.000966334 0.00792604 18
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5345 211 H 24.3462 27.6903 11.2212 0.000553846 -0.00313158 0.00466801 18
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5348 214 H 24.415 27.899 8.82474 -0.00457467 0.00884886 0.00814681 18
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5350 216 H 27.43 28.0412 8.75582 -0.00146606 -0.000207864 0.00697904 18
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5360 226 H 25.9646 27.5364 1.97053 0.00595457 0.00612831 -0.00995538 18
5361 227 H 25.2524 29.1276 2.29833 0.00657767 0.0143243 0.014808 18
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5364 230 H 15.5927 23.2627 35.9173 0.00075306 -0.00106645 -0.000738434 18
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5366 232 H 12.7878 24.3715 35.4677 0.00094104 0.00492377 0.00853555 18
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5373 239 H 15.0772 24.7154 40.0272 0.0100056 -0.00176549 -0.00490054 18
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5379 245 H 13.2442 25.515 42.793 0.000615457 0.00299253 0.0103256 18
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5385 251 H 13.0485 22.7529 47.0111 -0.00687897 2.32586e-05 -0.00490036 18
5386 252 H 14.7106 22.7341 46.4527 0.00299171 0.00640614 -0.00357398 18
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5389 255 H 19.6048 27.6541 36.4057 0.000349798 0.00557895 0.00298375 18
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5400 266 H 20.397 27.7968 41.2498 -0.00549694 0.00645377 0.00522478 18
5401 267 H 22.6751 29.4171 42.5306 -0.0101747 0.0122267 0.00457645 18
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5413 279 H 22.4306 20.3358 34.5297 -0.000447666 -0.00378269 -0.000187498 18
5414 280 H 19.9664 19.676 36.23 0.0031579 -0.00667219 -0.00378204 18
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5419 285 H 21.039 19.9494 38.8086 0.00531826 -0.00205877 0.00504974 18
5420 286 H 23.3747 18.9934 39.2892 0.000408774 -0.00288894 -0.00177442 18
5421 287 H 22.7838 17.471 38.6133 -0.00631539 0.00167224 -0.00695664 18
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5424 290 H 21.1267 19.9131 41.2543 -0.00435071 -0.00697777 0.00459763 18
5425 291 H 22.8216 19.6809 41.7273 0.000478684 -0.00224122 -0.00153464 18
5426 292 H 21.8118 17.6496 43.1436 0.0042823 -0.00226093 -0.00041776 18
5427 293 H 20.3194 18.5365 43.0468 0.00211104 -0.00581836 -0.000757443 18
5428 294 H 21.2016 20.5018 44.2673 0.00779813 0.00612654 -0.00705271 18
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5430 296 H 22.3782 17.9324 45.3498 0.00360375 -0.00392859 0.0182206 18
5431 297 H 20.8323 18.7681 45.8359 0.000385262 -0.00890441 -0.00641191 18
5432 298 H 22.2045 20.6647 46.7011 0.0055624 -0.00625991 0.00660826 18
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5437 1 C 25.1964 20.4597 30.8249 -0.000845458 -0.000197355 0.00175623 19
5438 2 C 25.385 20.3389 29.4632 0.00202589 -0.00381702 -0.00184913 19
5439 3 C 24.8986 19.2338 28.8017 0.00178954 -0.000837603 0.00162411 19
5440 4 C 24.2847 18.1769 29.5376 0.00167822 -0.00229247 -0.00113432 19
5441 5 C 24.0926 18.2497 30.9497 0.00177205 0.000299864 0.00282348 19
5442 6 C 24.5959 19.4489 31.6202 0.00177835 0.00367775 0.000857358 19
5443 7 C 19.6598 16.5807 30.4116 0.00267422 -0.00455 -0.00547456 19
5444 8 C 19.7927 16.5535 29.009 0.00283166 -0.00161532 0.000319692 19
5445 9 C 21.0876 16.6838 28.4589 -0.00448269 -0.00366212 0.00292752 19
5446 10 C 22.2236 16.8681 29.2989 0.00237811 -0.00145409 -0.00145159 19
5447 11 C 22.0474 16.9263 30.7036 0.00636028 0.00254641 0.00106841 19
5448 12 C 20.7696 16.801 31.2935 0.00079345 0.00258934 0.000563999 19
5449 13 C 25.2873 13.6226 31.1559 -4.66392e-05 0.00185884 -0.00268252 19
5450 14 C 25.4932 13.6187 29.749 0.00166175 -0.00231501 0.00153634 19
5451 15 C 25.0643 14.7026 28.9919 0.000392149 0.00178438 -0.00389933 19
5452 16 C 24.3683 15.7447 29.6443 -0.000921921 -0.000888192 0.00547112 19
5453 17 C 23.7215 16.9005 28.8647 -0.00155774 0.000343316 -0.000495538 19
5454 18 O 24.4429 14.5271 33.2072 -0.00243071 0.00402992 -0.00449208 19
5455 19 O 20.6 16.98 32.6519 0.00181546 0.00149908 -0.00186724 19
5456 20 O 24.5552 19.6775 32.991 -0.00105483 0.00199312 -4.34705e-05 19
5457 21 C 24.5967 14.6513 31.8277 -0.0025602 0.000682065 -0.00267563 19
5458 22 C 23.9867 16.8975 27.4306 -0.000234184 0.00136912 0.00230018 19
5459 23 C 24.4599 16.8833 26.3225 0.00284628 -0.00250909 0.000240831 19
5460 24 C 25.2961 16.8906 25.1528 -0.00127729 -0.000929972 -0.00313675 19
5461 25 C 25.5097 18.1441 24.5209 0.00154491 -0.00201939 0.00472308 19
5462 26 C 26.4944 18.254 23.5349 -0.000384199 0.00170312 -0.00420009 19
5463 27 C 27.1781 17.0798 23.1327 -0.00186907 -0.00270436 -0.00265718 19
5464 28 C 26.9766 15.8505 23.7506 -0.00124363 -0.00021046 0.000424259 19
5465 29 C 26.0135 15.7266 24.7603 0.00172215 -0.00206051 0.00118289 19
5466 30 C 27.9635 17.1211 21.934 -0.00316388 -0.0054502 -0.000239375 19
5467 31 C 28.3465 17.1771 20.7772 -0.000318248 -0.0036658 -0.0028424 19
5468 32 C 27.7144 13.4518 18.6968 -0.00321917 -0.000224001 -0.00328534 19
5469 33 C 27.928 13.433 17.3192 -0.00538487 -0.000372242 0.00433581 19
5470 34 C 28.1706 14.6112 16.566 0.00430678 0.00241121 0.00217168 19
5471 35 C 28.2072 15.8062 17.2791 0.00105095 0.0023949 0.00021376 19
5472 36 C 28.0898 15.8365 18.6763 0.00130249 0.00127724 0.00163361 19
5473 37 C 27.8113 14.6597 19.3806 2.44134e-06 0.00172835 -0.00433992 19
5474 38 C 28.5049 17.1486 19.2921 -0.000986713 -0.000151806 0.00153686 19
5475 39 C 32.3732 17.2616 18.8174 -0.0050795 -0.000988867 0.00602187 19
5476 40 C 32.4057 17.2966 17.4004 -0.000494019 -0.00371197 -0.00403204 19
5477 41 C 31.2284 17.3348 16.6398 -0.00538219 -0.00240865 -0.0038726 19
5478 42 C 29.9862 17.36 17.286 0.00318971 0.00214928 -0.000326239 19
5479 43 C 29.92 17.296 18.7231 -0.0038904 8.2538e-05 0.00430423 19
5480 44 C 31.1229 17.3106 19.4689 -0.00274926 -0.00302953 -0.00272395 19
5481 45 C 26.2055 20.1644 18.5324 -0.000996844 0.00607045 -0.00252986 19
5482 46 C 26.2979 20.1669 17.1227 0.00415903 0.00255317 0.00165483 19
5483 47 C 27.0521 19.2356 16.4336 -0.00270237 -0.00217594 -0.000442037 19
5484 48 C 27.7587 18.2516 17.1693 0.00194983 0.00251944 0.00228768 19
5485 49 C 28.6301 17.1478 16.6482 0.000387514 -0.00441742 0.00450545 19
5486 50 C 27.6931 18.2492 18.5846 0.00373536 -0.000431753 -0.00130582 19
5487 51 C 26.9558 19.2214 19.2407 -0.00307543 -0.00516594 0.00243551 19
5488 52 O 31.2687 17.4893 15.2622 -0.00486777 0.00144314 -0.00132575 19
5489 53 O 28.4631 14.5575 15.2406 0.0017392 0.00109493 0.000905535 19
5490 54 O 27.0261 19.4761 15.0676 -0.00397874 0.0015467 0.00156373 19
5491 55 C 23.3695 17.0073 31.5315 -0.00131094 0.00597574 -0.000663726 19
5492 56 C 24.1503 15.7688 31.0408 0.000476106 -0.00382955 0.00151947 19
5493 57 C 31.2615 16.4529 14.2652 0.000148745 0.000380907 0.00347072 19
5494 58 C 30.4851 16.9794 13.0254 -0.00091541 0.00175378 0.00206084 19
5495 59 C 30.9178 16.4234 11.6582 0.00180048 -0.00100578 -0.00104282 19
5496 60 C 30.16 17.0428 10.4555 -0.000261066 0.00340575 -0.00128362 19
5497 61 C 30.7038 16.5212 9.09541 -0.00147733 -0.00487143 -0.00315146 19
5498 62 C 29.8727 17.0449 7.91474 0.000884837 0.003161 0.00149125 19
5499 63 C 30.3377 16.5158 6.58033 0.00375098 -0.0027036 0.000822654 19
5500 64 C 31.6658 17.134 6.05861 0.00311743 0.00164196 -0.000135653 19
5501 65 C 31.992 16.5995 4.63569 -0.00107062 -0.000294755 -0.000195942 19
5502 66 C 31.0464 17.0826 3.48382 0.000705436 -0.000990009 0.00240877 19
5503 67 C 31.5828 16.6028 2.12452 -0.000762135 -0.00075113 -0.000679276 19
5504 68 C 30.554 16.7553 0.964893 0.000544214 -0.00117417 0.00180114 19
5505 69 F 26.741 19.4552 23.007 0.000424959 0.00253706 0.003659 19
5506 70 C 28.7108 13.2984 14.587 -0.00222065 0.00179528 0.00256365 19
5507 71 C 29.2805 13.582 13.2303 0.000931926 -0.00160622 0.00227202 19
5508 72 C 29.3353 12.3026 12.3289 0.00130668 -0.000920745 -0.00527779 19
5509 73 C 29.4358 12.7332 10.8508 -0.0016634 0.00391621 -0.00102278 19
5510 74 C 29.9908 11.6327 9.89637 -0.00246814 -0.00220085 -0.00252636 19
5511 75 C 30.2085 12.2272 8.5013 0.00155629 0.00173665 0.000279489 19
5512 76 C 30.7051 11.2353 7.41128 0.00232807 -0.00132789 -0.00594353 19
5513 77 C 31.0782 11.8493 6.02749 -0.00269134 3.58851e-05 0.00434359 19
5514 78 C 29.8371 12.2773 5.2417 -0.00240618 -0.000867273 0.00203991 19
5515 79 C 29.9814 12.0199 3.71873 0.000145597 0.0034265 0.00312517 19
5516 80 C 30.6532 13.1753 2.93903 0.000165141 0.00074236 0.00538222 19
5517 81 C 30.473 12.9439 1.40518 0.000845885 -0.00256875 -0.00112492 19
5518 82 C 27.6395 18.8069 13.9798 -0.00123369 -0.00137375 -0.000623119 19
5519 83 C 27.0946 19.4969 12.698 -0.00176479 0.00255887 0.000193082 19
5520 84 C 27.193 18.8431 11.3169 -0.000923264 0.000778841 0.000987324 19
5521 85 C 26.2421 19.4953 10.2821 0.0036948 0.00462927 0.0017496 19
5522 86 C 26.3682 19.0402 8.79279 0.00148216 -0.00318504 0.000978212 19
5523 87 C 27.4128 19.8831 8.0477 -0.00189711 0.000152008 0.000455047 19
5524 88 C 27.7032 19.4252 6.57413 4.7589e-05 -0.00128032 -0.000413382 19
5525 89 C 26.6355 19.7618 5.54321 -0.00238636 0.000166416 -0.0036084 19
5526 90 C 27.2344 20.2231 4.22024 0.00378668 -0.00246427 0.000624736 19
5527 91 C 28.0243 19.1215 3.50109 0.00368071 0.00192955 -0.000311813 19
5528 92 C 27.1986 18.3211 2.46502 -0.00165401 -0.00172014 0.00191405 19
5529 93 C 27.1104 18.9877 1.08905 -0.00191176 0.0014821 0.00215341 19
5530 94 C 19.3785 16.6096 33.3088 -0.000167999 -0.00282763 2.58789e-05 19
5531 95 C 19.299 17.1526 34.7704 0.000966888 -0.00102815 -0.000821824 19
5532 96 C 17.9928 16.8373 35.4415 0.00395579 -0.00224768 -0.00131987 19
5533 97 C 17.8922 17.1291 36.9237 -0.000411539 -1.98846e-05 0.00207494 19
5534 98 C 18.6425 16.1014 37.7719 -0.00292204 -0.00219324 -0.00169385 19
5535 99 C 18.2606 15.9252 39.2487 0.00447962 -0.000692745 -0.00322682 19
5536 100 C 18.0772 17.2467 40.0155 0.000451818 -0.000598752 -0.00238999 19
5537 101 C 18.5105 17.1944 41.487 0.00110757 -0.0011924 0.000562756 19
5538 102 C 17.5068 16.7182 42.5447 0.00271794 0.000906945 0.00152636 19
5539 103 C 17.9479 17.1607 43.9791 -0.000876462 -0.00268073 -0.000383079 19
5540 104 C 17.0733 16.6749 45.1164 0.00505699 0.000943744 0.0055106 19
5541 105 C 17.3321 17.3942 46.4711 0.00291536 0.00396549 -0.0013913 19
5542 106 C 25.4284 20.6356 33.5968 -0.000672889 -0.000979408 -0.00194805 19
5543 107 C 25.405 20.6149 35.1607 0.00621066 0.000454778 -0.00175199 19
5544 108 C 25.911 21.9394 35.8269 -0.00249899 -0.00337024 -0.00463122 19
5545 109 C 26.1027 21.9097 37.3502 0.00160247 -0.00545779 -0.0024661 19
5546 110 C 24.8503 21.3712 38.057 -0.00366319 -0.00362008 -0.00385084 19
5547 111 C 24.524 21.8275 39.5341 -1.311e-06 -0.00104743 -0.000789665 19
5548 112 C 25.517 21.5324 40.6383 -0.0057531 -0.000954198 0.00175166 19
5549 113 C 24.9769 21.997 42.019 -0.00103979 0.00307157 -0.00469915 19
5550 114 C 25.8053 21.5253 43.2386 0.00498576 -0.00103066 -0.00260548 19
5551 115 C 25.2433 22.0457 44.5686 0.000403449 0.000409946 0.000611406 19
5552 116 C 25.896 21.4924 45.8381 0.0046258 -0.00148796 0.00699048 19
5553 117 C 25.1476 21.883 47.0924 0.00132419 0.00225709 0.000136374 19
5554 118 C 24.958 13.3302 33.9449 -0.00436396 0.00120477 -0.00117519 19
5555 119 C 25.1819 13.7617 35.4144 -0.00125062 -0.00367512 0.00251378 19
5556 120 C 25.2461 12.56 36.4293 -0.00179196 -0.00283356 0.0021563 19
5557 121 C 25.7118 13.0998 37.793 0.00135602 -0.00273543 -0.00186886 19
5558 122 C 25.7347 12.0529 38.9088 0.00246992 0.000667765 0.000594022 19
5559 123 C 26.0907 12.7043 40.2694 1.68753e-06 0.0021043 7.52027e-05 19
5560 124 C 25.4896 12.0091 41.4755 -0.00319384 -0.00309027 -0.000296052 19
5561 125 C 25.9042 12.774 42.7656 -0.00028352 -0.00459349 -0.00485339 19
5562 126 C 25.1487 12.1961 43.984 0.000870217 0.00146837 -0.00207156 19
5563 127 C 25.7286 12.8139 45.2703 0.000452771 0.000476299 0.00191234 19
5564 128 C 25.173 12.1958 46.5771 -0.000135476 -0.00142006 -0.00107545 19
5565 129 C 26.0801 12.5015 47.7932 -0.000427071 -0.000219717 -0.000576986 19
5566 130 F 25.0236 19.294 25.0333 0.002749 -0.000991047 0.00324333 19
5567 131 H 25.4596 21.4112 31.2774 0.00548627 -0.00184641 0.00151573 19
5568 132 H 25.8038 21.1529 28.8789 -0.00252355 0.00196834 0.00294792 19
5569 133 H 25.0388 19.1514 27.728 0.00187736 0.00399328 0.00127411 19
5570 134 H 18.6649 16.4477 30.8262 -0.00058164 0.00478174 -0.0103041 19
5571 135 H 18.912 16.412 28.3894 0.00239734 -0.000162701 0.000603752 19
5572 136 H 21.2291 16.5929 27.386 -0.00914202 0.00322523 0.00173526 19
5573 137 H 25.6663 12.7296 31.6441 -0.0115344 -0.00195595 -0.000749184 19
5574 138 H 26.1168 12.8389 29.3218 -0.00730669 -0.00786546 -0.0013619 19
5575 139 H 25.2228 14.761 27.9192 0.0258197 0.000633421 -0.000164738 19
5576 140 H 27.543 14.9768 23.4422 0.00185045 0.000238567 0.0048253 19
5577 141 H 25.8629 14.7853 25.2807 -0.00175784 -0.000907853 0.00226378 19
5578 142 H 27.536 12.5286 19.2401 -0.00383422 0.00899787 0.0121733 19
5579 143 H 27.9301 12.4707 16.8159 0.00674918 0.00309579 -0.00224531 19
5580 144 H 27.7835 14.6467 20.4662 0.0135819 0.0078749 -0.0039069 19
5581 145 H 33.3015 17.2163 19.3792 -0.00572034 -0.0010202 0.00707609 19
5582 146 H 33.3616 17.2421 16.888 -0.00305462 -0.00870942 -0.0082839 19
5583 147 H 31.1424 17.2646 20.5537 0.0103396 -0.00661059 -0.00308576 19
5584 148 H 25.5925 20.8837 19.0674 0.00323214 -0.00176588 0.0128501 19
5585 149 H 25.7007 20.8727 16.5529 0.000354623 -0.000936846 0.00130997 19
5586 150 H 28.677 17.1189 15.5526 -0.00904086 0.00527222 0.00384133 19
5587 151 H 26.8318 19.2026 20.3194 -0.00993721 -0.0118521 0.00154169 19
5588 152 H 23.1892 16.9279 32.6107 -0.00453812 0.00265974 -0.00143265 19
5589 153 H 32.3071 16.2101 14.0391 -0.00524531 -0.0109908 -0.00910362 19
5590 154 H 30.7112 15.6189 14.7179 -0.0146968 -0.00034169 -0.0159468 19
5591 155 H 30.5525 18.0741 13.049 0.0200825 0.000833991 -0.0170718 19
5592 156 H 29.4226 16.7478 13.1696 0.00141818 -0.00801731 0.00355648 19
5593 157 H 30.6971 15.3495 11.6202 0.00527971 -0.00158461 -0.00494912 19
5594 158 H 31.9979 16.5367 11.5035 0.00351586 -0.00602719 0.00732571 19
5595 159 H 30.2888 18.1313 10.5012 0.0020131 0.00240735 0.0163147 19
5596 160 H 29.084 16.8363 10.5094 0.000559691 -0.00150747 -0.00374481 19
5597 161 H 30.6441 15.4259 9.08107 -0.0113334 -0.00427082 -0.00849128 19
5598 162 H 31.7469 16.8289 8.95149 -0.00613474 0.00995242 -0.0052846 19
5599 163 H 29.8598 18.1414 7.88399 -0.00496104 0.00305649 -0.000232606 19
5600 164 H 28.8101 16.8314 8.08449 0.00456552 -0.0155744 0.000699134 19
5601 165 H 29.5705 16.7475 5.83132 -0.00342582 -0.00307905 0.0080718 19
5602 166 H 30.3963 15.4217 6.63561 0.00622295 -0.00324808 -0.0126211 19
5603 167 H 32.4989 16.8556 6.71585 0.0093901 0.0163437 -0.00182931 19
5604 168 H 31.6323 18.2249 6.16991 -0.00348374 0.0012805 0.00142416 19
5605 169 H 31.866 15.5107 4.59108 -0.00102652 -0.000448162 0.00363173 19
5606 170 H 33.0344 16.8467 4.39948 0.00151608 0.000663621 0.0121941 19
5607 171 H 30.9358 18.1738 3.46161 -0.00641563 -0.00185599 -0.00522192 19
5608 172 H 30.0304 16.7146 3.67283 -0.000587547 0.000573173 -0.00151268 19
5609 173 H 31.8801 15.5516 2.22471 0.00680106 0.00172756 0.00292809 19
5610 174 H 32.5018 17.1259 1.83263 -0.0074659 0.0085228 -0.00516778 19
5611 175 H 31.0558 16.4987 0.0237236 -0.0095894 -0.00627277 -0.00220599 19
5612 176 H 30.1701 17.7763 0.847848 0.00238994 -0.000405997 0.00245963 19
5613 177 H 29.6916 16.0835 1.0565 -0.00314028 0.00392903 0.0045109 19
5614 178 H 29.3694 12.6568 15.1854 -0.00437262 0.00242667 0.00562064 19
5615 179 H 27.754 12.7647 14.5313 0.00299385 -0.00807883 0.00785714 19
5616 180 H 28.7736 14.4219 12.7393 0.00203282 0.00183607 0.00701581 19
5617 181 H 30.2919 13.9752 13.3912 -0.00748882 0.0174289 0.00884241 19
5618 182 H 30.1834 11.6685 12.6155 -0.0044916 -0.00682096 -0.001199 19
5619 183 H 28.4156 11.7161 12.4456 0.00232841 -0.00160056 -0.000666783 19
5620 184 H 28.4246 12.9961 10.5167 -0.00566128 -0.0110187 -0.000654994 19
5621 185 H 30.0453 13.6299 10.6843 0.0112788 -0.00561258 -0.00502188 19
5622 186 H 30.9222 11.2062 10.2889 -0.0035702 -0.00661442 -0.00471566 19
5623 187 H 29.2506 10.8318 9.77789 -0.00333971 -0.00152014 -0.0016775 19
5624 188 H 29.2821 12.7364 8.20835 -0.00181841 -0.00298617 0.00273783 19
5625 189 H 30.9833 12.9964 8.60843 0.0158201 -0.0125884 0.00011558 19
5626 190 H 31.5903 10.7048 7.78338 -0.000570215 -5.79644e-05 0.00273892 19
5627 191 H 29.901 10.5013 7.27679 0.0142312 -0.0138831 -0.00838811 19
5628 192 H 31.7815 12.6811 6.15759 0.0103083 -0.00977174 -0.00324411 19
5629 193 H 31.599 11.0525 5.48237 -0.0019287 0.00370943 -0.000286549 19
5630 194 H 28.963 11.7323 5.61904 -0.00236457 0.00616566 0.012301 19
5631 195 H 29.6401 13.3462 5.39006 -0.0015423 5.6508e-05 -0.00341729 19
5632 196 H 30.4519 11.0624 3.46336 -0.00606909 0.00342177 -0.00841241 19
5633 197 H 28.9689 11.9014 3.31342 0.0052172 -0.0143153 -0.00438543 19
5634 198 H 30.1394 14.1027 3.2205 0.000233888 0.00355588 -0.00378682 19
5635 199 H 31.6873 13.3404 3.26591 0.00445231 -0.0056366 -0.00504662 19
5636 200 H 30.9182 13.7761 0.845912 0.00579201 -0.00272577 0.00259171 19
5637 201 H 30.8835 11.9778 1.08679 0.00244695 -0.00027398 -0.00601127 19
5638 202 H 29.4072 13.0099 1.15367 0.000709821 -0.0104978 -0.00257805 19
5639 203 H 28.7351 18.8565 14.0052 -0.00163729 0.0123897 -0.00947354 19
5640 204 H 27.2553 17.7797 14.006 -0.00933249 0.00149982 -0.00608946 19
5641 205 H 26.0168 19.6864 12.7739 -0.00172715 0.00209251 0.00181078 19
5642 206 H 27.4806 20.5211 12.6251 -0.00778957 0.00565696 0.0117066 19
5643 207 H 28.2421 18.8891 10.9997 0.000146246 -0.0103383 0.00288133 19
5644 208 H 26.9181 17.782 11.3618 -0.0181335 0.00534053 0.00345984 19
5645 209 H 25.2115 19.2566 10.5725 -0.000615891 0.00115417 -0.0163478 19
5646 210 H 26.2821 20.5878 10.3729 -0.0130658 0.00690961 -0.0183018 19
5647 211 H 26.6871 17.9925 8.7292 0.012523 0.000196792 0.00047775 19
5648 212 H 25.3845 19.1335 8.31627 0.0050478 0.0109799 -0.00360215 19
5649 213 H 27.1472 20.9465 8.09239 0.0219378 0.00560305 0.0128611 19
5650 214 H 28.3621 19.8005 8.59131 0.00730847 0.00331063 -0.0151138 19
5651 215 H 28.6667 19.8294 6.23979 -0.00441755 0.00339618 -0.0076342 19
5652 216 H 27.7903 18.332 6.54562 -0.00470245 -0.00196346 0.0111496 19
5653 217 H 25.9599 18.9251 5.32669 0.000309205 -0.00449961 0.00613024 19
5654 218 H 25.959 20.5293 5.93907 -0.000199733 -0.00172274 0.00379187 19
5655 219 H 26.4674 20.5583 3.51115 -0.00337087 -0.00155181 0.00882581 19
5656 220 H 27.901 21.0771 4.39268 -0.00767388 0.00915708 -0.0126553 19
5657 221 H 28.8985 19.5652 3.00888 0.00225709 0.00620141 0.0010145 19
5658 222 H 28.4402 18.4141 4.22908 0.00602512 0.00230844 -0.00128217 19
5659 223 H 27.6728 17.3412 2.32969 -0.0132202 -0.00714092 0.000690012 19
5660 224 H 26.2096 18.1953 2.92275 -0.000514077 0.0129532 0.00848573 19
5661 225 H 26.4309 18.3848 0.474022 0.00372855 -0.00880455 0.00600173 19
5662 226 H 26.7008 20.004 1.14068 0.000727246 0.00232407 0.00645153 19
5663 227 H 28.0615 19.0747 0.5494 0.00101443 -0.0011606 0.00690865 19
5664 228 H 18.5172 17.0825 32.8209 -0.00702271 0.00346192 0.0181496 19
5665 229 H 19.2131 15.5257 33.2742 0.00490974 -0.00371895 0.00381307 19
5666 230 H 20.173 16.7359 35.286 -0.00246592 -0.0103516 -0.00255757 19
5667 231 H 19.4617 18.2366 34.8131 0.0109854 -0.00238789 -0.00397024 19
5668 232 H 17.1948 17.3991 34.9405 0.0120236 0.0138396 0.00386118 19
5669 233 H 17.8038 15.7798 35.2192 0.0132966 -0.00262707 -0.00751914 19
5670 234 H 18.2713 18.1488 37.0646 0.00170674 -0.00250125 0.014143 19
5671 235 H 16.8245 17.1038 37.1742 -0.00302849 0.0167308 -0.00738557 19
5672 236 H 18.4311 15.119 37.3317 -0.0178564 -0.00206735 0.00516849 19
5673 237 H 19.7271 16.2517 37.7062 -0.0010899 -0.00885961 0.013025 19
5674 238 H 17.3435 15.3337 39.3595 2.05143e-05 0.00811817 0.00703791 19
5675 239 H 19.0505 15.3792 39.7792 0.000264099 -0.00839283 -0.00489962 19
5676 240 H 18.675 18.0503 39.5681 -0.00465832 -0.000727736 -0.00943124 19
5677 241 H 17.0518 17.636 40.0323 0.0029507 0.00597084 -0.00119954 19
5678 242 H 19.3655 16.535 41.6805 -0.00214921 -0.00687847 -0.00442271 19
5679 243 H 18.7976 18.2262 41.7247 -0.0037219 0.000438954 -0.000682731 19
5680 244 H 16.5192 17.1228 42.2911 0.00563407 0.00668769 -0.000591849 19
5681 245 H 17.3784 15.6315 42.4684 -0.00840021 0.00195784 0.00508077 19
5682 246 H 18.9622 16.8095 44.2052 0.00440358 0.00370089 -0.0141721 19
5683 247 H 18.0798 18.2493 43.9456 -0.0102437 -0.00199899 -0.0151948 19
5684 248 H 16.0048 16.6926 44.8688 0.00587833 -0.00889531 0.0011629 19
5685 249 H 17.2167 15.6041 45.3069 0.0020393 0.00013129 0.00323251 19
5686 250 H 18.3472 17.1562 46.8119 2.80784e-05 0.00737202 0.00953264 19
5687 251 H 17.2519 18.484 46.3741 -0.00292135 0.00409561 0.00479882 19
5688 252 H 16.571 17.1445 47.2206 4.36836e-06 0.00518492 -0.00393305 19
5689 253 H 26.4789 20.4161 33.3697 -0.000168316 -0.0199179 0.0184905 19
5690 254 H 25.2251 21.6652 33.2774 -0.00380287 -0.00308031 -0.00669252 19
5691 255 H 24.3673 20.4783 35.4893 0.00882133 -0.00906468 0.00249843 19
5692 256 H 25.993 19.761 35.5192 0.00173707 -0.00790848 -0.0142902 19
5693 257 H 26.8684 22.2656 35.4022 -0.00115201 0.00678654 0.0061808 19
5694 258 H 25.1389 22.6764 35.5741 0.000748907 -0.00670822 -0.0243094 19
5695 259 H 26.9548 21.2798 37.6342 -0.000956065 -0.00847045 -0.00146174 19
5696 260 H 26.267 22.933 37.7095 0.0157798 0.00127228 -0.0281841 19
5697 261 H 23.9972 21.6314 37.4183 -0.00257129 0.00673295 -0.00108054 19
5698 262 H 24.9357 20.2791 37.9983 0.017425 -0.00251708 0.00616033 19
5699 263 H 24.3537 22.9112 39.5212 0.00932829 0.000479924 0.00469267 19
5700 264 H 23.596 21.3162 39.8182 0.00422778 -0.0139626 -0.010153 19
5701 265 H 25.7593 20.4652 40.7142 0.00402538 0.00124981 0.00174996 19
5702 266 H 26.4766 22.0175 40.4211 -0.00701793 -0.0009914 -0.00391086 19
5703 267 H 24.9934 23.0938 42.0183 0.00686697 0.00295691 -0.00346154 19
5704 268 H 23.9232 21.7274 42.162 -0.000677703 0.0109858 0.0130531 19
5705 269 H 25.72 20.4319 43.2139 -0.00204982 -0.000505493 -0.00232248 19
5706 270 H 26.8441 21.8652 43.1443 0.00374523 0.00593329 0.00867285 19
5707 271 H 25.3454 23.1373 44.531 0.00623939 -4.49158e-05 0.00322475 19
5708 272 H 24.1769 21.8058 44.6619 -0.00304186 0.012655 -0.00749498 19
5709 273 H 25.9327 20.4015 45.7288 0.0109888 0.000277755 -0.00882465 19
5710 274 H 26.9546 21.7794 45.8217 0.00431125 -0.000391517 0.00577002 19
5711 275 H 24.0643 22.0196 46.9866 0.000697167 -0.00219174 0.000879786 19
5712 276 H 25.3172 21.142 47.8833 -0.000562491 0.00270261 0.000958189 19
5713 277 H 25.4811 22.8615 47.4595 0.000322093 0.00192365 0.00194142 19
5714 278 H 24.2099 12.5319 33.8648 -0.00919747 0.00422361 0.0139175 19
5715 279 H 25.9282 12.942 33.611 0.00112376 0.00302938 0.0126039 19
5716 280 H 24.4088 14.47 35.7368 0.00268982 -0.000359482 0.00468891 19
5717 281 H 26.1068 14.3512 35.4373 -0.00256642 -0.00119658 -0.00785083 19
5718 282 H 25.918 11.7886 36.033 -0.00637983 -0.00711483 0.00271117 19
5719 283 H 24.2565 12.1036 36.5548 -0.0107658 0.0150491 -0.00355762 19
5720 284 H 24.9731 13.8481 38.1053 -0.00849351 -0.0097655 -0.00830657 19
5721 285 H 26.6618 13.6388 37.6908 -0.00147234 -0.00134721 -0.0210066 19
5722 286 H 26.4708 11.2729 38.6781 0.00541149 -0.00209118 0.0192593 19
5723 287 H 24.7762 11.5317 39.023 -0.00256112 0.00866142 -0.00529307 19
5724 288 H 25.6887 13.722 40.3468 -0.00421159 0.00116192 -0.00954456 19
5725 289 H 27.1847 12.7639 40.3241 0.000223449 -0.00243184 0.000611647 19
5726 290 H 25.9276 11.0035 41.4926 0.0186244 0.00652713 0.00971415 19
5727 291 H 24.3972 11.9877 41.3772 -0.00284992 0.00537696 -0.00615843 19
5728 292 H 25.6104 13.8272 42.6767 -0.0146094 -0.00773729 0.00498303 19
5729 293 H 26.9892 12.7023 42.9105 -0.000667801 -0.00959897 -0.0044283 19
5730 294 H 25.2216 11.1016 43.9985 -3.28807e-05 0.0012705 -0.0123064 19
5731 295 H 24.0786 12.426 43.9113 0.00161742 0.00857126 0.0093901 19
5732 296 H 25.4331 13.8703 45.2744 -0.0135473 -0.0033843 -0.00777168 19
5733 297 H 26.8247 12.7792 45.2461 0.000762861 0.00410775 0.0107541 19
5734 298 H 25.0833 11.1078 46.4694 0.00297136 -0.000980959 -0.00805191 19
5735 299 H 24.1647 12.5316 46.8492 0.00181982 0.00646853 -0.00363535 19
5736 300 H 27.028 11.956 47.7066 0.00151273 0.00518817 -0.0134327 19
5737 301 H 25.6116 12.2249 48.7457 -0.00704288 -0.0050357 -0.00523426 19
5738 302 H 26.3662 13.5602 47.8227 -0.00549852 0.000953474 0.00616791 19
5739 1 C 29.2041 27.2987 31.5951 -0.00387356 -0.00114339 0.000733838 20
5740 2 C 29.3999 27.2388 30.2103 -0.00092281 -0.00588478 -0.00304934 20
5741 3 C 28.896 26.1683 29.4408 -0.00179617 0.00105368 -0.000845607 20
5742 4 C 28.1863 25.1375 30.1113 -0.00205589 0.00327918 -0.000143344 20
5743 5 C 27.9712 25.1985 31.5232 -0.000735087 0.0016151 0.00157202 20
5744 6 C 28.433 26.3025 32.2549 -0.00197848 3.83704e-05 0.00266483 20
5745 7 C 23.5541 23.8303 30.8258 -0.000354405 0.00639857 0.00449818 20
5746 8 C 23.6942 23.8213 29.4341 -0.00121065 -0.00304926 0.000206291 20
5747 9 C 24.98 23.8658 28.8887 0.00447224 -0.0020819 0.00293788 20
5748 10 C 26.0956 23.8922 29.7773 -0.000182808 0.00319272 -0.0001682 20
5749 11 C 25.9063 23.9083 31.1663 -0.00156638 -0.00119127 0.00562526 20
5750 12 C 24.6093 23.9186 31.7279 0.00299075 -0.0008951 0.00145033 20
5751 13 C 29.1308 20.5503 31.4884 -0.00188518 -0.00272564 -0.00494039 20
5752 14 C 29.1599 20.5098 30.1111 0.00242388 -0.00453285 0.00268715 20
5753 15 C 28.6497 21.5681 29.3914 -0.000855657 -0.00472362 0.00628904 20
5754 16 C 28.1109 22.6714 30.0574 0.00341948 0.000709391 0.000263272 20
5755 17 C 27.574 23.9163 29.3568 -0.00174777 0.000294761 0.00322156 20
5756 18 O 28.6316 21.5662 33.609 0.00461937 -4.14362e-05 -0.00171921 20
5757 19 O 24.4081 23.9926 33.0839 -0.00231591 -0.00348579 -0.000682009 20
5758 20 O 28.1232 26.4458 33.5978 1.36009e-05 -0.00104932 -0.00140161 20
5759 21 C 28.5592 21.6252 32.2116 0.00375162 0.00295792 0.00517675 20
5760 22 C 27.8685 23.9127 27.921 0.00229142 -0.000542517 0.00110152 20
5761 23 C 28.3221 23.8587 26.7781 0.00216367 0.00242046 0.00274043 20
5762 24 C 29.0485 23.8345 25.5222 -0.00169793 -0.00308518 -5.28788e-05 20
5763 25 C 29.9157 22.7412 25.2288 -0.00231398 -0.000827386 0.0012967 20
5764 26 C 30.7899 22.7734 24.1398 -0.00149625 -0.00233321 -0.00100303 20
5765 27 C 30.81 23.9338 23.3075 -0.00371533 -0.000136454 -0.00156996 20
5766 28 C 29.9207 24.9876 23.5649 -0.00106098 0.00269329 0.00230707 20
5767 29 C 29.0272 24.9661 24.6731 -0.00183823 -0.000805167 -0.000912316 20
5768 30 C 31.5643 23.9381 22.1098 -0.000134457 -0.000855102 0.00119359 20
5769 31 C 32.0351 23.9259 20.9913 0.00260561 0.00196398 -0.00189855 20
5770 32 C 30.4673 20.6774 18.7005 -0.00268185 0.0034892 0.00110209 20
5771 33 C 30.6764 20.6786 17.316 -0.000301215 0.000323398 -0.00226938 20
5772 34 C 31.3886 21.7454 16.6756 0.000549186 0.00189191 -2.70414e-05 20
5773 35 C 31.9202 22.7416 17.484 0.00114566 -0.00292592 0.00311376 20
5774 36 C 31.7326 22.7335 18.8566 -0.000796304 -9.29515e-05 0.00217683 20
5775 37 C 31.081 21.671 19.4785 -0.00316334 -0.00225124 -0.00158539 20
5776 38 C 32.3779 23.9301 19.5553 -0.00129097 -0.00100731 0.00439742 20
5777 39 C 36.2612 24.1906 19.3815 0.00190808 -0.00116812 -0.00255483 20
5778 40 C 36.4149 24.149 17.9766 0.00365221 0.00298916 0.00204093 20
5779 41 C 35.3012 24.0444 17.1624 -0.00241665 0.00053701 -0.000249626 20
5780 42 C 34.0309 23.8641 17.7174 -0.000493359 0.000471458 7.86489e-05 20
5781 43 C 33.8583 23.89 19.127 0.00116867 -0.002104 0.000433054 20
5782 44 C 34.9764 24.0197 19.9916 0.0015474 0.000248222 0.00362535 20
5783 45 C 31.1257 27.4723 18.7265 -0.000234788 0.00143025 0.0011676 20
5784 46 C 31.4874 27.5175 17.373 -0.00402857 0.000440091 0.00375172 20
5785 47 C 32.0327 26.3885 16.7328 -0.000428588 -0.00598607 0.0013378 20
5786 48 C 32.1072 25.1996 17.4952 0.00127801 0.0041022 0.00112545 20
5787 49 C 32.7303 23.9323 16.9181 -0.00190635 0.0020577 0.00428953 20
5788 50 C 31.8345 25.1869 18.8693 0.00208795 0.00441128 -0.00026519 20
5789 51 C 31.3157 26.3388 19.4987 -0.000680867 -0.000101416 0.00113605 20
5790 52 O 35.533 24.0462 15.781 0.000845397 -0.00143341 -0.00076803 20
5791 53 O 31.5104 21.8258 15.3021 -0.00131509 -0.00248759 0.000372359 20
5792 54 O 32.5128 26.4276 15.4456 0.000300173 0.00127704 0.00162551 20
5793 55 C 27.2223 23.9445 31.9782 0.00414058 -0.00107978 -0.00481935 20
5794 56 C 28.0185 22.7123 31.4875 -0.00151172 -0.00254446 0.000568706 20
5795 57 C 36.1566 22.9539 15.0852 -0.000286468 0.00255852 0.0024139 20
5796 58 C 35.1361 22.2286 14.242 -0.0054671 0.00260824 0.000757037 20
5797 59 C 35.0269 22.6812 12.7543 -0.00205539 -0.0022631 -0.00166219 20
5798 60 C 34.0921 23.8407 12.483 0.000642898 -0.0024595 0.00159847 20
5799 61 C 33.5354 23.8218 11.0331 0.000726337 0.00125971 0.00137988 20
5800 62 C 34.5202 23.559 9.87145 -0.00415101 -0.00126568 -0.00320743 20
5801 63 C 33.8169 23.5409 8.47839 0.00202425 -0.000254972 -0.0036278 20
5802 64 C 34.8167 23.4127 7.30289 -0.00181918 -0.00127029 0.000808022 20
5803 65 C 34.1152 23.5006 5.93428 -0.00244995 0.00144633 0.000170066 20
5804 66 C 35.0664 23.2288 4.778 -0.00140597 -0.00022426 -0.000554393 20
5805 67 C 34.3744 23.5108 3.45014 -0.00171151 0.0028706 0.0032893 20
5806 68 C 35.2476 23.3366 2.20686 0.00397475 0.00332075 -0.00215865 20
5807 69 F 31.5669 21.6754 23.8745 0.00600488 -6.73492e-05 0.000539487 20
5808 70 C 30.9478 20.8733 14.3902 0.000109223 -0.00317641 0.00352424 20
5809 71 C 30.972 21.4756 12.9627 -2.90551e-05 0.00136247 0.00488464 20
5810 72 C 30.435 20.5635 11.8823 0.00169229 0.000422383 0.00253245 20
5811 73 C 29.9703 21.328 10.614 0.00263775 -0.00153073 0.000888325 20
5812 74 C 30.8457 20.9833 9.43389 -0.00185314 -0.000382776 -0.000243967 20
5813 75 C 30.4781 21.7748 8.14567 0.00339518 0.00351385 0.00354334 20
5814 76 C 31.088 21.2048 6.84135 -0.000756946 0.00505968 0.000975161 20
5815 77 C 30.6355 21.928 5.58587 0.00227649 0.00056947 -0.00510929 20
5816 78 C 31.2147 21.3023 4.32913 -0.00035272 0.00439625 0.000458894 20
5817 79 C 30.8052 22.2279 3.13758 -0.0027077 -0.000210569 -0.00199346 20
5818 80 C 31.3704 21.8115 1.75316 -0.000686955 0.00127557 0.00134859 20
5819 81 C 30.7495 20.5657 1.09916 -0.00286548 -0.00356165 -0.00322339 20
5820 82 C 32.7558 27.6639 14.74 0.00022616 0.00381147 -0.00228411 20
5821 83 C 33.2003 27.4302 13.3294 0.00316506 0.00116826 -0.000196735 20
5822 84 C 33.5914 28.756 12.5921 0.00139756 0.000927059 -0.00249117 20
5823 85 C 33.5666 28.6205 11.048 -0.000789629 0.00274385 0.00462892 20
5824 86 C 34.6333 27.7017 10.4345 -0.000373323 -0.00223354 -0.000442729 20
5825 87 C 34.159 27.1165 9.07785 0.00493186 0.00493961 -0.000532987 20
5826 88 C 34.2416 28.0514 7.85804 0.00223735 0.0060028 -2.56633e-05 20
5827 89 C 33.2444 27.6108 6.77675 -0.00394222 -0.00271467 -0.00180163 20
5828 90 C 33.4162 28.0656 5.31198 -0.0046326 -0.00343129 0.00128339 20
5829 91 C 34.6375 27.4474 4.59661 -0.00273814 -0.00195308 0.00192778 20
5830 92 C 34.515 27.3265 3.06031 0.00461781 0.00245054 -0.000127651 20
5831 93 C 34.5027 28.662 2.32116 0.00407151 -4.42911e-05 -0.000174302 20
5832 94 C 23.1699 23.5372 33.6885 -0.000141231 6.98084e-05 0.00702719 20
5833 95 C 22.9798 24.1667 35.0771 0.00261647 -7.12311e-05 -0.00514027 20
5834 96 C 22.1528 23.3109 36.0611 -0.00244107 -0.00159665 0.0016192 20
5835 97 C 22.0773 23.8467 37.5127 -0.00158329 -0.00432508 0.00271948 20
5836 98 C 21.0817 23.0627 38.3814 0.000169881 0.00355289 -0.00110943 20
5837 99 C 20.767 23.7812 39.6998 -0.000137377 0.000189665 -0.00117831 20
5838 100 C 21.6149 23.26 40.8621 -0.00171721 0.00247184 0.00416321 20
5839 101 C 21.3109 24.0731 42.1224 0.00229193 0.00298442 0.00264424 20
5840 102 C 22.0612 23.5505 43.3624 -0.000593777 0.00085385 0.00226823 20
5841 103 C 21.4076 24.1069 44.6288 0.00636944 -0.00596294 0.00161276 20
5842 104 C 22.1774 23.751 45.9175 -0.000314948 -0.00241328 0.00452601 20
5843 105 C 21.5536 24.4488 47.1433 0.000979707 -0.00353399 0.00391913 20
5844 106 C 28.7527 27.5205 34.3416 0.00301446 0.00163234 0.000940352 20
5845 107 C 28.3318 27.6302 35.8433 -0.00288393 0.00111195 -0.00143267 20
5846 108 C 29.5157 27.9251 36.7523 -0.000882483 0.00305956 0.00153748 20
5847 109 C 29.0892 27.8892 38.2507 0.00047332 -0.000334282 0.00149345 20
5848 110 C 30.3534 28.1574 39.1144 0.00292057 -0.00158801 -0.00301771 20
5849 111 C 30.2718 27.6632 40.6043 -0.00226242 0.00114818 6.1405e-05 20
5850 112 C 29.2966 28.4192 41.4583 0.00149264 -0.00289976 -0.00212458 20
5851 113 C 29.2806 27.8125 42.8827 -0.00297075 0.00278186 0.00522812 20
5852 114 C 30.3385 28.3175 43.8754 0.00205151 -0.00472663 0.0020864 20
5853 115 C 30.1564 27.7374 45.2684 0.000771997 0.00684435 -0.00129277 20
5854 116 C 30.792 28.5407 46.3974 0.00144474 -0.00109961 -0.00504553 20
5855 117 C 30.0589 29.8461 46.7482 -0.000942031 3.09052e-05 0.00144484 20
5856 118 C 29.1333 20.3779 34.2471 0.00232415 -0.00519297 0.00394213 20
5857 119 C 29.2074 20.4646 35.7455 0.000688133 -0.00257645 0.00356424 20
5858 120 C 29.7708 19.1533 36.3291 -0.00193605 0.00273291 0.000497018 20
5859 121 C 30.2471 19.2696 37.7711 -0.000600849 0.00357383 -0.000815839 20
5860 122 C 29.2883 19.9414 38.8334 -0.00242289 -0.00257995 0.00502004 20
5861 123 C 29.785 19.3722 40.1901 -0.00637537 0.00227981 0.00198874 20
5862 124 C 28.9822 19.7974 41.4217 -0.00374483 0.00423161 0.0064605 20
5863 125 C 29.5596 19.1524 42.702 -0.00219631 -0.0025291 -0.00423489 20
5864 126 C 28.8376 19.5887 43.9768 -0.00173275 -0.00452984 -0.00268391 20
5865 127 C 29.4454 18.8692 45.156 -0.00643777 -3.18002e-05 0.0024754 20
5866 128 C 28.9025 19.3499 46.4741 0.000150022 -0.00253434 0.000277082 20
5867 129 C 29.7504 18.8784 47.6494 -0.00258038 -0.0014548 -7.98842e-05 20
5868 130 F 29.9325 21.6237 26.0057 0.000315492 0.0022388 0.000884588 20
5869 131 H 29.6114 28.1263 32.1684 0.00160357 0.00159005 -0.00715447 20
5870 132 H 29.9249 28.0466 29.7092 0.000884604 -0.00944435 -0.00688883 20
5871 133 H 28.9723 26.2331 28.3594 -0.00242523 0.00301062 -0.000776519 20
5872 134 H 22.5534 23.9073 31.2406 -0.00565444 -0.0123736 -0.00493395 20
5873 135 H 22.7896 23.7138 28.8428 0.00108277 -0.00164562 -0.00353645 20
5874 136 H 25.0564 23.812 27.8067 0.0159275 0.00214198 0.00356281 20
5875 137 H 29.5312 19.6845 32.0075 -0.00403424 4.21514e-05 0.00136517 20
5876 138 H 29.6328 19.7058 29.5549 0.0114488 0.00881801 -0.00899783 20
5877 139 H 28.7115 21.4821 28.3106 -0.00511369 0.00908029 0.00496985 20
5878 140 H 29.949 25.8641 22.9243 -0.0196915 0.00189962 0.00041673 20
5879 141 H 28.348 25.7902 24.8704 0.00968433 0.011023 -0.0106967 20
5880 142 H 29.9473 19.8381 19.1528 0.0143405 -0.000374872 0.0135094 20
5881 143 H 30.1978 19.9035 16.7247 0.00137904 0.000884445 -0.00436456 20
5882 144 H 31.0534 21.5722 20.5597 0.0070802 0.00704635 -0.000472791 20
5883 145 H 37.1491 24.2044 20.0066 -0.00431666 -0.00106429 0.00628448 20
5884 146 H 37.3853 24.3236 17.5214 0.00675162 0.000938449 0.00786905 20
5885 147 H 34.8912 23.9959 21.074 0.0162181 0.0102389 0.00501163 20
5886 148 H 30.6832 28.3726 19.1425 -0.0086429 -0.000789504 -0.00294838 20
5887 149 H 31.2576 28.4257 16.8236 0.00349242 -0.00210231 -0.00357404 20
5888 150 H 32.8397 23.9531 15.8268 0.000129127 0.00573255 0.00456293 20
5889 151 H 31.13 26.3538 20.5686 -0.00538763 0.0224387 -2.35091e-05 20
5890 152 H 27.0779 23.9555 33.0655 0.0124483 -0.000534065 -0.00371237 20
5891 153 H 37.0086 23.3456 14.5159 0.00367379 0.00115871 0.00736827 20
5892 154 H 36.5309 22.2709 15.8578 0.00459719 0.00434461 0.0016278 20
5893 155 H 34.1659 22.2335 14.7538 -0.00795947 -0.000850996 -0.00394457 20
5894 156 H 35.4525 21.1848 14.1248 -0.0133187 0.0022432 -0.0175719 20
5895 157 H 34.6604 21.8364 12.1582 -0.00811458 0.00624349 -0.0100128 20
5896 158 H 36.0293 22.9772 12.4213 0.00345494 -0.00907344 0.00881468 20
5897 159 H 34.6483 24.7729 12.6407 0.00248186 -0.00293329 -0.00206972 20
5898 160 H 33.2903 23.7797 13.2293 0.00246157 0.0131629 0.00480658 20
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5900 162 H 32.8094 23.0028 10.9587 0.00480402 -0.00129072 -0.010572 20
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6005 267 H 28.299 28.0666 43.3014 -0.00251308 0.0106725 0.0015295 20
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6013 275 H 29.0016 29.6145 46.9265 0.00397386 -0.0219973 0.00210328 20
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6042 2 C 33.3697 20.1778 29.3054 -0.0017167 0.00145128 -0.00102748 21
6043 3 C 32.7625 19.1009 28.6666 -0.00137689 0.00342395 -7.46031e-05 21
6044 4 C 32.0777 18.1567 29.4171 -0.00158228 0.00507684 0.0045161 21
6045 5 C 31.9725 18.2635 30.8485 -6.33057e-05 -0.0011698 0.00256495 21
6046 6 C 32.5614 19.3723 31.4862 0.00242793 0.00178322 -0.00150939 21
6047 7 C 27.4216 17.1596 30.2967 0.0018512 -0.000635767 0.000601687 21
6048 8 C 27.5827 17.1127 28.9115 -0.000806586 -0.00474619 0.00293445 21
6049 9 C 28.8789 17.0073 28.3848 0.00168375 -0.000124304 0.00186779 21
6050 10 C 29.9838 17.0254 29.2477 -0.00142682 -0.00364791 0.00239135 21
6051 11 C 29.8196 17.1458 30.672 0.00184689 -0.000270477 0.00295479 21
6052 12 C 28.5179 17.2103 31.1887 0.00265953 0.000323724 0.00027097 21
6053 13 C 32.852 13.6151 31.2685 0.00346505 0.00222474 0.00269002 21
6054 14 C 33.0013 13.5472 29.8889 -0.00254159 -0.00271265 0.00241294 21
6055 15 C 32.4874 14.5516 29.0544 -0.00150153 0.00239578 -0.00080426 21
6056 16 C 32.0267 15.737 29.6251 0.00157182 0.00300871 -0.00154325 21
6057 17 C 31.4616 16.8872 28.8143 0.00218936 0.00106493 -0.00111034 21
6058 18 O 32.0721 14.8291 33.1571 -3.04765e-05 0.00241644 -0.000190433 21
6059 19 O 28.3165 17.1956 32.5723 -0.000634192 -0.00210405 0.00250915 21
6060 20 O 32.3985 19.6026 32.8483 0.000212233 -0.00185274 0.00188804 21
6061 21 C 32.289 14.7506 31.8523 -0.00260095 -0.00387613 0.0026892 21
6062 22 C 31.7492 16.7762 27.4044 0.000805652 0.00475011 0.00243712 21
6063 23 C 32.2853 16.8183 26.3199 -0.0023171 0.00279076 -0.00157491 21
6064 24 C 33.1733 16.8755 25.1875 0.000812034 0.00193585 0.00124717 21
6065 25 C 34.0961 15.8245 24.9852 0.00471174 -0.00735889 0.00177368 21
6066 26 C 35.066 15.9663 23.9798 -4.44164e-05 -0.00178426 0.00436465 21
6067 27 C 35.1337 17.1577 23.2265 -0.000834487 -0.00472975 0.00101031 21
6068 28 C 34.2609 18.2147 23.5115 0.00392926 -0.00123558 0.000469785 21
6069 29 C 33.2834 18.089 24.4934 -0.000319523 -0.000354663 -0.00302742 21
6070 30 C 35.9227 17.2371 22.0578 -0.00286254 -0.000994632 -0.00199455 21
6071 31 C 36.2821 17.2614 20.8924 -0.00121242 0.000826069 0.0028674 21
6072 32 C 34.8106 13.7793 18.8581 0.002872 -0.0027814 -0.000893238 21
6073 33 C 35.014 13.6772 17.4784 0.0030609 -0.00502026 0.00178748 21
6074 34 C 35.5738 14.7297 16.7236 0.00100733 -0.00203842 0.000417236 21
6075 35 C 35.9654 15.8858 17.4005 -0.00193931 0.0024805 0.00494765 21
6076 36 C 35.8158 15.9747 18.8229 0.00323477 -0.00141619 6.037e-05 21
6077 37 C 35.2156 14.9165 19.5658 0.0021154 -0.00109139 -0.00212216 21
6078 38 C 36.4308 17.2271 19.4383 -0.00240436 -0.000708012 0.000598543 21
6079 39 C 40.2987 17.3292 19.0381 -0.000113021 0.00286684 3.02862e-05 21
6080 40 C 40.3398 17.4611 17.6224 0.00103742 -0.000124693 0.00143692 21
6081 41 C 39.176 17.4382 16.8361 0.00145581 -0.00364542 0.00112166 21
6082 42 C 37.9592 17.2281 17.4804 -0.00532517 0.00738572 0.00158288 21
6083 43 C 37.8666 17.1989 18.8851 0.00429546 -0.000492087 0.0034663 21
6084 44 C 39.042 17.1973 19.6548 0.00364142 -0.000751447 0.000513928 21
6085 45 C 34.4675 20.4564 18.5363 0.00195397 -0.000382599 0.000277893 21
6086 46 C 34.4897 20.3132 17.1464 0.000647979 0.00122946 0.00063278 21
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6088 48 C 35.8014 18.2816 17.2894 0.00327635 -0.000995927 -0.00129598 21
6089 49 C 36.6127 17.0795 16.7818 0.00135331 0.00226934 0.00385055 21
6090 50 C 35.7747 18.3924 18.6899 0.00103625 -0.00197475 -9.83329e-06 21
6091 51 C 35.136 19.5313 19.3303 -0.00182769 -0.00340765 -0.00285817 21
6092 52 O 39.203 17.7331 15.4867 9.2156e-06 0.00129547 0.000463959 21
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6094 54 O 35.1429 19.1102 15.1675 -0.00672437 -0.00368764 0.00127452 21
6095 55 C 31.1424 17.1154 31.4779 -0.00320095 -0.000837411 0.00250364 21
6096 56 C 31.9097 15.8463 31.0236 0.00392137 -0.00162208 -0.00372264 21
6097 57 C 39.11 16.6467 14.5859 -0.00153734 -0.00409866 -0.00218554 21
6098 58 C 38.2563 17.0513 13.391 -0.00172518 0.00131509 -0.00472591 21
6099 59 C 39.0586 17.4549 12.1232 0.00176434 -0.000992462 -0.0010222 21
6100 60 C 38.3011 17.4056 10.7493 -0.00543501 0.00162632 -0.00450253 21
6101 61 C 37.8501 16.0039 10.332 0.00291574 0.000159545 0.00169237 21
6102 62 C 37.263 15.9103 8.89147 -0.0025046 -0.00155829 0.00226734 21
6103 63 C 38.1387 16.5374 7.78954 -0.00105868 -0.00189599 0.00182227 21
6104 64 C 37.6033 16.2713 6.37082 -0.0021011 0.000504701 0.000253033 21
6105 65 C 38.3078 17.0004 5.20865 -0.00233002 1.09383e-05 0.000224636 21
6106 66 C 37.8209 16.4989 3.80858 0.00183873 -0.0031496 0.000228506 21
6107 67 C 38.4862 17.2897 2.68132 0.00010862 -0.000502958 -0.00230241 21
6108 68 C 38.0907 16.8029 1.27955 0.00334364 0.00343574 -5.24113e-05 21
6109 69 F 35.9253 14.9387 23.7704 -0.0026437 -0.00177603 0.00187539 21
6110 70 C 36.7537 13.6371 14.8742 -0.000453728 -0.000755535 0.00167919 21
6111 71 C 36.4813 13.5422 13.3517 -0.00348773 -0.00131389 0.00409043 21
6112 72 C 37.6744 12.9881 12.576 -0.00029271 0.00422233 0.00372509 21
6113 73 C 37.3543 12.4863 11.1638 0.00152037 0.00258967 0.000771688 21
6114 74 C 38.4 11.5737 10.5746 0.000805977 -0.00170742 0.00196937 21
6115 75 C 37.9764 11.0263 9.21041 0.000655111 0.00466015 0.00212785 21
6116 76 C 37.986 11.9347 7.97459 -0.000736932 -0.00113629 0.00659619 21
6117 77 C 38.0209 11.1345 6.6588 0.00239135 0.000966363 -0.00162752 21
6118 78 C 38.1403 12.033 5.45964 -0.0043516 -0.000338032 0.00748441 21
6119 79 C 38.2154 11.2596 4.11492 0.00367681 -0.000134607 -0.00411181 21
6120 80 C 38.8615 12.156 3.03997 0.00343748 0.00251849 -0.00104624 21
6121 81 C 38.9737 11.3951 1.6876 -0.00078342 -0.00353124 -0.00230622 21
6122 82 C 33.9726 18.4963 14.5713 -0.000836137 -0.0051704 0.000602623 21
6123 83 C 33.8466 18.8308 13.1064 0.00166692 -0.00214389 -0.000607823 21
6124 84 C 34.9123 18.2141 12.168 -0.00018814 -0.00037525 0.00142069 21
6125 85 C 34.4862 18.1959 10.6791 -0.00178862 0.000208386 -0.00244372 21
6126 86 C 34.2357 19.576 10.1302 -0.00095317 -0.000296892 0.00168192 21
6127 87 C 33.7931 19.5968 8.62339 -0.00359631 -0.000121319 -0.000266889 21
6128 88 C 34.6329 18.9059 7.51776 0.0052104 -1.1637e-05 0.0031146 21
6129 89 C 34.3759 19.5614 6.12829 -0.00298154 0.00109006 -0.000750649 21
6130 90 C 35.07 18.8731 4.93879 0.00282155 -0.00444846 0.00105333 21
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6132 92 C 35.0755 18.7564 2.39414 -0.000410014 0.00230469 -0.00159363 21
6133 93 C 34.3853 19.299 1.12599 0.00136952 0.00323426 -0.00112439 21
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6135 95 C 26.9272 17.2236 34.6259 -3.97833e-05 0.00374197 0.00405676 21
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6137 97 C 25.4023 17.1053 36.8122 0.00119307 0.00266273 0.00169236 21
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6140 100 C 25.6881 16.4591 39.7863 -0.00498134 -0.00208774 -0.00183351 21
6141 101 C 25.6084 16.4855 41.3526 0.00154907 0.00250126 -0.00209727 21
6142 102 C 25.3715 17.8233 42.0047 0.00133814 -0.000267312 0.000549282 21
6143 103 C 24.7742 17.6864 43.4605 -0.00139706 0.00146489 0.00123168 21
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6154 114 C 33.6472 21.1198 43.2881 0.000940065 7.5362e-06 0.00164295 21
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6159 119 C 33.572 13.3297 34.4616 -0.000826832 -0.00130569 0.000480695 21
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6161 121 C 33.1118 13.0745 37.0143 -0.000374788 0.000189849 0.003272 21
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6166 126 C 33.4881 12.9406 43.5106 -0.00450872 0.000647853 0.00158202 21
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6220 180 H 35.6615 12.8178 13.2704 0.00112753 -0.00612085 0.000353586 21
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6228 188 H 38.7428 10.2594 9.04345 -0.00129219 4.39146e-06 0.0144649 21
6229 189 H 37.019 10.5001 9.30875 0.000602619 0.00438581 0.000150327 21
6230 190 H 37.1467 12.6405 8.00253 -0.010621 -0.012956 0.00749672 21
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6232 192 H 38.9062 10.488 6.70054 -0.00210022 -0.00542723 -0.00575097 21
6233 193 H 37.1676 10.4501 6.57586 0.00506864 -0.00062364 -0.0158916 21
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6235 195 H 39.0898 12.5737 5.55749 0.00532283 -0.0180015 0.0115722 21
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6237 197 H 37.2353 10.9434 3.73689 0.00424306 -0.00858373 0.00154229 21
6238 198 H 38.1913 13.0082 2.87304 0.00722483 0.00729295 0.00817995 21
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6241 201 H 39.4455 12.0859 0.978001 0.00262238 0.0036752 0.00697071 21
6242 202 H 39.6647 10.5448 1.74342 0.00464623 0.00135624 0.0049142 21
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6250 210 H 33.5959 17.5657 10.563 -0.00616661 0.0040282 0.0102685 21
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6254 214 H 33.7237 20.6549 8.34218 -0.00381193 -0.00204994 -0.00748118 21
6255 215 H 35.6867 19.0563 7.78267 0.00141907 0.0101393 0.0125152 21
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6258 218 H 34.6638 20.6199 6.11715 0.00703906 -0.00137449 0.0279539 21
6259 219 H 36.1323 19.1466 4.93603 0.00464025 -0.0115713 0.00132199 21
6260 220 H 34.9111 17.7897 5.00492 0.00612894 -0.00459913 0.00640476 21
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6262 222 H 34.4448 20.5028 3.62712 -0.00407402 -0.000608209 0.00523423 21
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6264 224 H 35.0501 17.6672 2.52225 0.000588496 0.00225711 -0.00180008 21
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6271 231 H 27.3199 18.1682 35.0223 0.00140475 0.00397544 0.00204895 21
6272 232 H 24.8856 17.9618 34.9562 0.00616867 0.00546443 0.000195297 21
6273 233 H 24.9686 16.299 34.782 0.00554658 0.00224769 -0.00814094 21
6274 234 H 24.5046 17.6746 37.0834 -0.00959487 -0.0180798 0.00960486 21
6275 235 H 25.1776 16.0771 37.1214 -0.0114188 0.00589626 0.00330917 21
6276 236 H 27.4959 17.0801 37.2876 0.000636815 0.0020183 -0.00211173 21
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6278 238 H 27.5484 17.578 39.52 -0.00190224 -0.00509488 0.00378466 21
6279 239 H 26.0452 18.5619 39.4707 0.0119586 0.00897526 -0.00867405 21
6280 240 H 24.6634 16.5621 39.4084 -0.00116323 -0.00761597 -0.0136772 21
6281 241 H 26.0498 15.4807 39.4469 -0.0141875 -0.00523938 -0.0026047 21
6282 242 H 24.8353 15.7894 41.7007 0.00383121 0.00178687 0.0015617 21
6283 243 H 26.513 16.0798 41.8221 -0.00210229 -0.00627052 -0.00262883 21
6284 244 H 26.3125 18.3745 42.123 2.20209e-05 0.000535773 0.00741556 21
6285 245 H 24.705 18.4032 41.3544 0.00446314 0.00259639 -9.62681e-05 21
6286 246 H 24.6161 18.7074 43.8293 -0.00394922 0.0011509 0.000997383 21
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6289 249 H 26.7142 17.4931 44.4093 0.00509233 -0.00371966 0.000862946 21
6290 250 H 25.1266 17.9131 46.3043 -0.0064824 -0.00388794 -0.00495695 21
6291 251 H 24.1784 16.4876 45.8687 0.00141277 -0.00186753 -0.0116353 21
6292 252 H 25.8323 16.2974 46.4757 0.00321694 -0.00810743 -0.00658605 21
6293 253 H 34.2346 20.3602 33.3203 0.00365335 0.00679825 0.00204591 21
6294 254 H 32.9482 21.5495 32.9409 -0.0154636 0.000448947 0.0096977 21
6295 255 H 31.8089 20.7132 35.1119 0.00117546 0.00102344 0.00181696 21
6296 256 H 33.4066 19.9317 35.4803 0.00143679 -0.00224936 -0.00521627 21
6297 257 H 34.5956 22.0503 35.5511 0.00129759 0.000584785 -0.00645605 21
6298 258 H 33.2584 22.863 34.8513 -0.00557376 -0.00455749 -0.00116149 21
6299 259 H 33.1049 23.4942 37.1112 -0.0106369 -0.00149748 0.0084411 21
6300 260 H 31.8932 22.2204 36.8996 0.00207819 -0.00883562 0.00749734 21
6301 261 H 33.6327 20.5484 37.8173 -0.00308683 -0.00127167 0.0113835 21
6302 262 H 34.6662 21.8684 38.2312 -0.00244364 0.00365027 0.00221581 21
6303 263 H 32.725 22.9136 39.5937 0.00364283 0.00178342 -0.00884122 21
6304 264 H 31.9034 21.3586 39.3967 -0.00109341 -0.000159607 0.0207946 21
6305 265 H 33.8249 20.2393 40.5198 -0.000516881 0.00326944 -0.0110306 21
6306 266 H 34.6238 21.8207 40.7037 0.000986162 -0.0100031 0.00441986 21
6307 267 H 32.6795 22.5666 42.0255 0.00720974 0.0068093 -0.0158214 21
6308 268 H 31.9351 20.9737 41.8755 -0.0022614 0.0100872 1.45605e-05 21
6309 269 H 33.9041 20.054 43.251 0.0100219 0.00224028 0.000438991 21
6310 270 H 34.5793 21.6977 43.3142 -0.000895477 0.00356047 -0.0112089 21
6311 271 H 32.235 22.3463 44.2721 -9.454e-05 0.000261527 -0.0115299 21
6312 272 H 32.0232 20.6839 44.6413 -0.00673317 0.0041577 -0.00454108 21
6313 273 H 34.4998 22.2484 45.6053 -0.00163709 0.00156842 -0.00388962 21
6314 274 H 33.0294 22.3016 46.5437 -0.0025063 -0.00780969 0.00928882 21
6315 275 H 34.5665 19.7143 46.0665 -0.00590711 0.000127426 -0.00875395 21
6316 276 H 34.3559 20.6717 47.5659 0.00920236 -0.0160927 -0.00419558 21
6317 277 H 32.9769 19.8951 46.8726 -0.00707037 0.00297946 -0.0121602 21
6318 278 H 31.5739 14.1006 34.9966 -0.00516772 -0.0061538 -0.00257065 21
6319 279 H 31.5577 12.9039 33.6312 0.00691907 -0.000898144 -0.00978778 21
6320 280 H 34.1897 14.2356 34.4978 0.00113974 -0.00276556 0.00344993 21
6321 281 H 34.0083 12.761 33.6313 0.00181817 0.0111415 -0.00668278 21
6322 282 H 34.883 12.4657 35.8915 0.00213549 -0.0124387 0.00490136 21
6323 283 H 33.5249 11.4367 35.6212 0.00209424 -0.000118767 -0.0150063 21
6324 284 H 32.0393 12.8533 37.0806 6.33456e-05 0.00106013 0.0135838 21
6325 285 H 33.2003 14.1671 36.9735 0.00531288 -0.00045029 -0.00159622 21
6326 286 H 34.8329 12.8698 38.3704 -3.55606e-05 -0.0094316 0.0013432 21
6327 287 H 33.7327 11.4677 38.3688 0.0119826 -0.00303594 -0.00600489 21
6328 288 H 32.0651 12.6528 39.5552 0.000587675 -0.000195696 -0.0069638 21
6329 289 H 32.9385 14.1788 39.5947 0.00799956 0.00234587 -0.000389278 21
6330 290 H 34.6743 13.2017 41.1314 0.00727213 -0.0201164 -0.000459585 21
6331 291 H 33.9566 11.6161 40.9969 -0.00126679 -0.00274456 -0.00186772 21
6332 292 H 31.8884 12.4398 42.1353 0.0011714 -0.00648544 -0.00131648 21
6333 293 H 32.3883 14.1046 42.0508 -0.00323639 -0.00312153 -0.00377086 21
6334 294 H 34.2862 13.6873 43.6046 -0.00159612 -0.00180264 -0.00366612 21
6335 295 H 33.987 11.964 43.5354 -0.00895523 -0.00189876 -0.0091795 21
6336 296 H 31.6694 12.4248 44.4678 0.00720708 -0.010982 0.000267326 21
6337 297 H 32.2005 14.085 44.7776 0.00140899 0.00161253 0.00347481 21
6338 298 H 34.0244 13.3106 46.1575 0.0050049 -0.00540242 -0.00109784 21
6339 299 H 33.5045 11.6013 46.0059 0.000270235 -0.00331548 0.0203846 21
6340 300 H 32.4216 12.2383 48.0367 0.00266963 -0.00844995 -0.0041767 21
6341 301 H 31.1296 12.4562 46.8738 0.000363478 -0.00286104 -0.00700831 21
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6343 1 C 36.8514 27.0148 31.0126 -0.00304528 0.0012895 -0.00140224 22
6344 2 C 37.1065 26.8978 29.6352 0.00270817 0.00183274 0.00059345 22
6345 3 C 36.6776 25.7535 28.9383 0.00175426 0.00147532 -0.00225638 22
6346 4 C 36.0403 24.7364 29.6746 -0.000690471 0.00201742 0.00066571 22
6347 5 C 35.8495 24.8749 31.0776 0.000974799 2.98143e-05 0.00153785 22
6348 6 C 36.2429 26.0172 31.7448 0.00146658 -0.00345747 0.00262 22
6349 7 C 31.4593 23.8505 30.4781 -0.00022891 0.00425266 0.00230414 22
6350 8 C 31.6694 23.8417 29.0893 -0.000127656 -0.00109928 -0.00129818 22
6351 9 C 32.9826 23.6555 28.5981 0.000125305 -0.000296713 -0.000762153 22
6352 10 C 34.0171 23.6294 29.5035 0.00394362 0.000587137 0.00156524 22
6353 11 C 33.7857 23.6614 30.9048 -0.0043828 -0.00399284 0.00248354 22
6354 12 C 32.508 23.7708 31.4211 0.00356561 0.00124 0.00202249 22
6355 13 C 37.078 20.369 31.6097 0.00222109 0.00179494 0.00128035 22
6356 14 C 37.2124 20.2354 30.2496 -0.000758925 0.00292373 0.00170432 22
6357 15 C 36.6338 21.1694 29.414 -0.00529292 -0.000304476 -0.00326551 22
6358 16 C 36.0555 22.3098 29.9511 -0.00306501 0.000422829 -0.000143669 22
6359 17 C 35.443 23.4577 29.1154 0.000416791 0.00401593 -0.00297183 22
6360 18 O 36.4372 21.5286 33.6071 -0.00298843 -0.00236944 -0.000171089 22
6361 19 O 32.2423 23.7948 32.7997 0.00300838 0.000150331 -0.000478683 22
6362 20 O 35.9932 26.119 33.0811 0.000703012 0.00320099 -0.00121971 22
6363 21 C 36.4533 21.4535 32.2191 0.000174789 -0.00040546 -0.000164293 22
6364 22 C 35.7605 23.3223 27.6814 -0.00447153 -0.00235252 0.00229874 22
6365 23 C 36.2959 23.3429 26.5944 0.00331578 0.00261449 0.000218146 22
6366 24 C 37.1385 23.4431 25.4431 0.00113373 0.000699736 -0.00263019 22
6367 25 C 38.1602 22.5049 25.1915 0.00241547 -0.000957623 -0.000838404 22
6368 26 C 39.0201 22.6906 24.1051 -0.00440973 -0.000827601 -0.00422451 22
6369 27 C 38.799 23.768 23.2459 0.00267212 -0.00195953 -0.00235298 22
6370 28 C 37.7296 24.7144 23.4539 0.00327553 -0.00418782 0.00250233 22
6371 29 C 36.9437 24.5352 24.5842 0.00252919 -0.00324651 -0.00108501 22
6372 30 C 39.5536 23.9246 22.0195 0.0021445 -0.00153195 0.00250179 22
6373 31 C 40.0326 23.9713 20.9147 0.00278363 -0.00109357 -0.000926046 22
6374 32 C 38.2039 20.8796 18.604 -0.00173932 0.000238757 -0.00332392 22
6375 33 C 38.3688 20.8689 17.2013 -0.000124366 -0.00143216 -0.00131693 22
6376 34 C 39.1048 21.8857 16.5657 0.00268976 -0.000134189 0.000446906 22
6377 35 C 39.742 22.8591 17.3607 -0.00083314 0.00450227 0.00104021 22
6378 36 C 39.5336 22.8624 18.7395 -0.00297247 -0.00156822 -0.00217771 22
6379 37 C 38.7716 21.8688 19.3852 -0.000790813 -0.00287864 -0.00121094 22
6380 38 C 40.2843 23.994 19.5015 -0.00242209 -0.00151648 -0.000307812 22
6381 39 C 44.1535 23.9445 19.3147 0.00728141 0.00262703 -0.00204647 22
6382 40 C 44.3174 23.9794 17.9259 -0.00176248 0.00326711 0.00111272 22
6383 41 C 43.2068 23.9187 17.0951 -0.00147106 -0.00199233 -0.00134058 22
6384 42 C 41.9235 23.8671 17.6699 0.00340989 0.00247582 0.0029384 22
6385 43 C 41.7518 23.892 19.0586 -0.00190268 0.000241126 -0.000694999 22
6386 44 C 42.8932 23.8559 19.888 0.00119367 -0.00184315 0.00144006 22
6387 45 C 38.5955 27.3856 18.8091 0.00275774 -0.00103898 0.00117166 22
6388 46 C 38.7814 27.444 17.4276 0.000593324 -0.00345341 -0.00234504 22
6389 47 C 39.5008 26.4375 16.7293 -0.00108381 -0.00416886 0.000356689 22
6390 48 C 39.9326 25.2955 17.4496 -0.00399696 0.00118415 0.000569648 22
6391 49 C 40.6201 24.0123 16.8835 0.00578394 0.00359124 0.000835095 22
6392 50 C 39.7482 25.2696 18.8626 0.000875395 -0.00243804 -0.00207347 22
6393 51 C 39.0582 26.2978 19.5431 -0.000288739 -0.000303433 7.66058e-05 22
6394 52 O 43.3475 24.2216 15.7577 -0.00256212 -0.000770998 -0.00349502 22
6395 53 O 39.3114 21.8917 15.2029 -0.00314155 0.00129638 -0.00127378 22
6396 54 O 39.6794 26.7056 15.3672 -0.00155419 -0.000135023 -0.000108167 22
6397 55 C 35.099 23.7147 31.7448 0.00190473 -0.00396555 -0.00283823 22
6398 56 C 35.8788 22.4385 31.3475 -0.00197149 -0.00435758 -1.17781e-05 22
6399 57 C 43.8752 23.3109 14.7898 0.000533698 -0.00295478 -0.000144532 22
6400 58 C 42.7649 23.3037 13.7166 -0.00142638 0.00109315 0.00105283 22
6401 59 C 43.1788 22.6806 12.3945 0.000485129 -0.00129696 0.000305577 22
6402 60 C 42.0406 22.8135 11.3444 0.000245052 0.00110957 -0.00016594 22
6403 61 C 42.4483 22.6436 9.87155 0.00611767 0.00134412 -0.0029749 22
6404 62 C 43.0629 23.9597 9.32355 0.00113949 -0.0035562 0.00419403 22
6405 63 C 42.5661 24.4758 7.94071 -0.00268397 0.000947612 0.00127888 22
6406 64 C 42.6999 23.4725 6.77827 -0.000869718 0.000944443 0.00279686 22
6407 65 C 42.409 24.0667 5.36414 0.00132408 0.00156034 0.0030436 22
6408 66 C 42.5984 23.0668 4.21022 0.000428674 0.00263549 0.00162242 22
6409 67 C 42.4481 23.6454 2.8103 -0.00313669 0.00193377 -0.00255123 22
6410 68 C 43.375 24.8456 2.44824 0.00338795 0.00239153 0.00154958 22
6411 69 F 39.9839 21.7871 23.8328 0.00095629 0.00118551 0.00187453 22
6412 70 C 38.6778 20.9175 14.312 -0.000738682 -0.005264 -8.19273e-05 22
6413 71 C 39.2191 21.2029 12.9186 0.00106916 0.00187172 0.000292643 22
6414 72 C 38.1785 20.894 11.8336 0.00045813 0.00138676 0.00190076 22
6415 73 C 38.8616 20.8902 10.4177 0.00508681 -0.00101976 0.00531661 22
6416 74 C 37.8124 20.6376 9.31186 0.00169148 0.000873568 -0.00263259 22
6417 75 C 38.3578 20.3401 7.88149 -0.0037706 -0.00200272 0.00592001 22
6418 76 C 38.6373 21.6294 7.06507 0.00412335 -0.00439529 -0.000661994 22
6419 77 C 38.5173 21.3218 5.56409 0.00340079 -0.00142052 0.0007454 22
6420 78 C 38.7055 22.4903 4.56796 0.00139722 0.00316186 -0.00218111 22
6421 79 C 38.465 22.024 3.09449 0.000926271 -0.00173543 -0.0054722 22
6422 80 C 39.6235 21.1706 2.50889 0.00342026 -0.004728 -0.00115183 22
6423 81 C 39.1964 20.5791 1.15281 -0.00295363 -0.00333295 -0.00188532 22
6424 82 C 40.665 26.1066 14.4435 0.00305621 -0.000536926 0.00318617 22
6425 83 C 40.7731 27.1809 13.3272 0.00188627 0.00177486 0.00104157 22
6426 84 C 41.4105 26.6877 12.0064 0.00156349 0.00190689 0.00261478 22
6427 85 C 41.4401 27.8537 10.9642 -8.15793e-05 -0.00306839 0.00247692 22
6428 86 C 41.8927 27.5373 9.53148 -0.0017498 -0.00132276 0.00252629 22
6429 87 C 42.3834 28.7964 8.76693 0.00202402 -0.000912256 -0.00142301 22
6430 88 C 42.925 28.4961 7.36441 0.00138159 -0.000632652 0.00264067 22
6431 89 C 41.8301 27.9657 6.40836 -0.00487856 0.00171591 0.000810565 22
6432 90 C 42.3005 27.7035 4.96029 -0.00260136 0.00499736 0.00220302 22
6433 91 C 42.5377 28.9199 4.09518 0.000790127 -0.00220066 -0.000939091 22
6434 92 C 42.9224 28.5518 2.62858 -0.00503705 -0.00305071 -0.00114773 22
6435 93 C 41.7541 27.9765 1.78211 0.00394957 -0.00101329 0.00182681 22
6436 94 C 30.909 24.0444 33.2649 0.000754491 0.000676852 0.00132953 22
6437 95 C 30.7351 23.7551 34.7898 -0.00170593 -0.00230435 0.00247214 22
6438 96 C 29.3872 24.2731 35.3399 0.00482984 -0.00415353 -0.000569133 22
6439 97 C 28.9033 23.8613 36.7094 0.000446858 0.000918671 0.000628213 22
6440 98 C 29.7844 24.1898 37.9167 0.000262048 -0.00111344 -0.00363649 22
6441 99 C 29.0344 23.9451 39.238 2.48218e-05 0.00158372 0.000943989 22
6442 100 C 29.9207 23.6365 40.4202 -0.00409968 0.00246843 0.00543456 22
6443 101 C 29.1479 23.7867 41.7572 -0.00261662 -0.00288108 -0.00054928 22
6444 102 C 30.0387 23.4001 42.9789 -0.00137999 -0.00185614 0.000701683 22
6445 103 C 29.3878 23.8278 44.3139 0.0025738 0.00283257 -0.00253762 22
6446 104 C 30.1673 23.4322 45.5365 -0.00302765 0.000758333 -0.00279594 22
6447 105 C 29.6258 24.0872 46.8302 0.00378987 -0.0046669 -0.00248924 22
6448 106 C 35.8656 27.3783 33.807 -0.00135967 0.00208359 0.00173216 22
6449 107 C 37.2569 27.9544 34.1347 0.00349048 -0.000499777 -0.0017377 22
6450 108 C 37.3898 28.7598 35.4318 -0.00304116 -0.00105129 -0.000199686 22
6451 109 C 36.84 28.1458 36.728 -0.00436783 -0.00381868 -0.00218373 22
6452 110 C 37.6045 28.6482 37.9889 0.00204145 0.00272117 0.00205279 22
6453 111 C 37.0229 27.9152 39.2144 -0.00102207 -0.00406656 0.00423242 22
6454 112 C 38.0345 28.113 40.3725 -0.000334475 -0.000817207 -0.000538026 22
6455 113 C 37.5776 27.5014 41.6944 0.00357103 0.00429047 0.00523279 22
6456 114 C 36.4513 28.2657 42.4526 -0.00107103 -0.00146039 -0.00236 22
6457 115 C 36.491 28.1593 43.987 -0.0020812 0.00207979 0.00204277 22
6458 116 C 37.795 28.7564 44.588 -0.000209178 0.00155075 0.0033356 22
6459 117 C 37.7764 28.9882 46.0729 -0.000936835 -0.00186062 0.0046084 22
6460 118 C 36.8417 20.3246 34.4117 0.00201673 0.00084741 0.00391657 22
6461 119 C 36.8318 20.4666 35.9632 -0.0022964 -0.00456527 0.000451817 22
6462 120 C 37.3461 19.2497 36.7124 0.00101887 -0.00106885 -0.00708748 22
6463 121 C 37.9538 19.5314 38.1241 -0.00167275 0.00532461 0.0010068 22
6464 122 C 36.9757 19.5944 39.2855 -0.00518464 0.00403084 -0.00212393 22
6465 123 C 37.6446 19.7117 40.6671 0.00418014 4.88003e-05 0.00157816 22
6466 124 C 36.7407 19.5027 41.8967 -0.000991466 -0.00435543 -0.00408336 22
6467 125 C 37.47 19.5084 43.2326 -0.00229067 -0.00296742 0.000655218 22
6468 126 C 36.5887 19.2114 44.4651 -0.00160597 0.00341551 4.99235e-05 22
6469 127 C 37.3298 19.0007 45.8168 -0.00267914 0.00310235 0.000166196 22
6470 128 C 37.834 20.3295 46.4012 0.000818137 0.000332405 0.00112318 22
6471 129 C 38.6833 20.1208 47.6859 -0.000586435 -0.0024762 0.00302738 22
6472 130 F 38.3781 21.4473 25.9775 0.00248212 0.00209803 0.00223782 22
6473 131 H 37.119 27.9846 31.4216 0.0104746 0.0089015 -0.0280708 22
6474 132 H 37.4944 27.7243 29.0472 -0.010037 0.00989537 0.00350277 22
6475 133 H 36.7648 25.8176 27.8577 -0.008863 -0.00284167 -0.00335055 22
6476 134 H 30.419 23.9476 30.7745 0.00107649 0.00493064 0.00665055 22
6477 135 H 30.8108 23.9976 28.4427 -0.00162726 -0.00674566 -0.000660595 22
6478 136 H 33.1657 23.6047 27.5288 0.00475309 0.0025067 -0.000102066 22
6479 137 H 37.5521 19.5726 32.1757 -0.0116719 -0.010407 -0.00426315 22
6480 138 H 37.6726 19.3442 29.8332 -0.00886655 -0.00716311 0.0142655 22
6481 139 H 36.7186 21.0123 28.3428 -0.00255202 0.0108942 -0.00468889 22
6482 140 H 37.4693 25.405 22.6572 -0.00136835 0.00284282 0.0101614 22
6483 141 H 36.153 25.2412 24.8203 -0.00908225 -0.0121835 -0.013336 22
6484 142 H 37.6658 20.0787 19.1024 0.00771648 -0.0106148 -0.0105521 22
6485 143 H 37.909 20.0848 16.6069 0.0119958 -0.00498462 -0.00601086 22
6486 144 H 38.6724 21.8132 20.4652 0.00296812 0.000353531 -0.000697645 22
6487 145 H 45.0011 24.103 19.9748 0.0162011 -0.00043185 -0.0127877 22
6488 146 H 45.2837 24.1619 17.4651 -0.0107497 0.0115676 -0.0144851 22
6489 147 H 42.7817 23.8483 20.9682 -0.00220592 0.00353825 0.0011281 22
6490 148 H 38.0305 28.1797 19.2882 -0.000951771 -0.00757116 0.00761036 22
6491 149 H 38.4154 28.3334 16.9234 0.00643244 0.00390474 0.00636689 22
6492 150 H 40.7628 23.9865 15.7961 0.00226866 0.0166792 5.99049e-05 22
6493 151 H 38.8366 26.214 20.6029 -0.00192216 -0.00371746 -0.000528946 22
6494 152 H 34.9441 23.7426 32.8305 0.000666058 -0.00515457 -0.00298169 22
6495 153 H 44.8545 23.6123 14.3981 -0.00132095 0.008849 0.00436547 22
6496 154 H 44.0653 22.3473 15.2784 -0.0118218 -0.00187654 0.00676138 22
6497 155 H 42.4376 24.3413 13.5763 0.00305261 0.00103134 -0.00972482 22
6498 156 H 41.9312 22.7228 14.1302 0.00451694 -0.0129914 -0.00672062 22
6499 157 H 43.439 21.6286 12.5648 0.0124972 0.000660623 -0.00594337 22
6500 158 H 44.0703 23.182 11.998 -0.00364996 0.00703314 0.00153783 22
6501 159 H 41.5224 23.7534 11.5712 0.00182342 0.00256584 -0.00262222 22
6502 160 H 41.3112 22.0113 11.5112 0.00600169 -0.00705756 -0.0141526 22
6503 161 H 41.5424 22.4173 9.29567 0.00139341 0.00658813 0.00238768 22
6504 162 H 43.1324 21.7931 9.76198 0.00205146 -0.0016252 -0.00532037 22
6505 163 H 44.1544 23.8839 9.24344 0.0015583 0.0045486 0.0020513 22
6506 164 H 42.8719 24.7184 10.0925 -0.0105997 -0.00446071 0.00217783 22
6507 165 H 43.1724 25.3405 7.64389 -0.00476697 0.00306066 0.00320179 22
6508 166 H 41.5112 24.7734 7.98749 -0.00550978 -0.00814603 -0.00426949 22
6509 167 H 42.0104 22.6301 6.9137 -0.0042564 0.000560944 -0.0166121 22
6510 168 H 43.7378 23.1175 6.78762 -0.00236393 -0.00375048 -0.0102636 22
6511 169 H 43.0753 24.9218 5.19586 -0.00236105 0.00481338 0.00495837 22
6512 170 H 41.3953 24.4794 5.29101 -0.00329947 -0.00828159 0.0118205 22
6513 171 H 41.8188 22.3112 4.36742 0.00717592 -0.0050184 -0.00179242 22
6514 172 H 43.5502 22.5429 4.36167 -0.00031434 -0.00502686 -0.020493 22
6515 173 H 41.4146 23.9785 2.65392 -0.00232418 -0.00239009 -0.0170771 22
6516 174 H 42.7097 22.8469 2.10506 2.26709e-05 0.00807535 -0.00834472 22
6517 175 H 44.4408 24.6412 2.60852 0.00236809 0.00577926 0.0126851 22
6518 176 H 43.1007 25.6986 3.08116 0.0106137 0.0118029 -0.008013 22
6519 177 H 43.2126 25.1852 1.41785 0.00589724 -0.0119092 -0.00354585 22
6520 178 H 39.0563 19.9279 14.5965 -0.00648222 -0.00921656 -0.00624898 22
6521 179 H 37.5844 20.9504 14.3941 -0.00168212 0.00393103 -0.0165528 22
6522 180 H 39.512 22.2565 12.8324 0.0115382 -0.001783 -0.00875084 22
6523 181 H 40.1134 20.5736 12.8313 0.0018148 0.00261742 0.00252189 22
6524 182 H 37.7316 19.9049 11.9933 -0.00673463 0.00350065 -0.00508246 22
6525 183 H 37.3386 21.5993 11.81 -0.00290394 -0.00297871 -0.00979872 22
6526 184 H 39.3518 21.8576 10.253 0.00300342 -0.00272195 -0.0108209 22
6527 185 H 39.5992 20.0798 10.3651 0.00581902 -0.000830857 0.0127621 22
6528 186 H 37.277 19.7111 9.55336 -0.000316659 0.000270897 -0.0093709 22
6529 187 H 37.0738 21.4485 9.3312 -0.00454857 -0.00485042 -0.000912174 22
6530 188 H 39.2162 19.6587 7.92931 -0.00586917 -0.00427776 0.0113153 22
6531 189 H 37.5822 19.756 7.3709 0.000309849 0.00231428 -0.00518412 22
6532 190 H 37.8571 22.3728 7.26995 0.0255958 0.0114621 0.0235013 22
6533 191 H 39.5981 22.1105 7.2859 -0.00367859 0.00796855 0.00641027 22
6534 192 H 39.27 20.5488 5.36575 0.0150782 0.00677852 0.0129611 22
6535 193 H 37.5167 20.9044 5.39693 -0.00168457 0.00547768 0.01389 22
6536 194 H 37.9888 23.3037 4.73538 -0.00181886 -0.000414972 0.00136196 22
6537 195 H 39.6885 22.9415 4.75131 0.00722799 -0.0164351 0.0149281 22
6538 196 H 37.5354 21.4441 3.14835 0.00684405 -0.0117916 -0.0120326 22
6539 197 H 38.2562 22.8957 2.46217 0.00171943 -0.00237335 -0.00661106 22
6540 198 H 40.5512 21.7392 2.36959 0.000206973 -0.00227062 -0.0125385 22
6541 199 H 39.8594 20.3339 3.17805 -0.018498 -0.00256119 0.00926244 22
6542 200 H 39.9338 19.8591 0.7769 0.000732352 -0.00606122 0.0105882 22
6543 201 H 38.2622 20.01 1.23527 -0.00295909 -0.00432015 -0.00857328 22
6544 202 H 39.0503 21.3499 0.386092 -0.00162486 -0.00687681 -0.00570828 22
6545 203 H 41.6002 25.8619 14.9621 0.0017524 -0.00492453 0.00348906 22
6546 204 H 40.3365 25.1467 14.0263 0.00184742 -7.02037e-05 0.00306913 22
6547 205 H 39.7596 27.5464 13.1206 -0.00330146 -0.0163458 -0.00554435 22
6548 206 H 41.3393 28.0354 13.718 0.00466418 -0.000303909 0.00156433 22
6549 207 H 42.4234 26.2975 12.1648 0.00737042 0.0110717 -0.0118623 22
6550 208 H 40.7931 25.871 11.6126 -0.00176402 0.000643747 0.010455 22
6551 209 H 40.4655 28.3519 10.8909 -0.00107358 -0.00727903 -0.0129229 22
6552 210 H 42.0929 28.5974 11.4378 -0.0127261 0.00553516 0.00643551 22
6553 211 H 42.7619 26.8724 9.60814 -0.00546669 -0.00544024 0.00888126 22
6554 212 H 41.0912 27.0953 8.92686 -0.00460702 0.00220828 0.00372705 22
6555 213 H 41.5879 29.5498 8.711 0.00555194 0.0032966 0.00506727 22
6556 214 H 43.2146 29.2142 9.34823 -0.010284 0.0175749 0.00286699 22
6557 215 H 43.3563 29.4271 6.97629 -0.0145133 0.00594565 0.000766956 22
6558 216 H 43.7679 27.7972 7.4307 0.00268604 0.000553559 -0.00140684 22
6559 217 H 41.4474 26.9945 6.74548 -0.0112193 0.00628259 0.00672007 22
6560 218 H 40.9862 28.6596 6.30902 -0.00671538 -0.00210872 -0.0106196 22
6561 219 H 43.2043 27.0838 5.00961 -0.00282234 0.00385362 -0.00826186 22
6562 220 H 41.5225 27.0931 4.48543 -0.00130382 0.000619062 0.00570064 22
6563 221 H 41.6116 29.5078 4.10146 0.00330084 0.00182875 -0.00875273 22
6564 222 H 43.3011 29.5532 4.56383 -0.00488662 -0.000687626 0.00627773 22
6565 223 H 43.2098 29.468 2.09812 0.00431457 0.00130618 0.0114841 22
6566 224 H 43.7814 27.8697 2.64059 0.00491817 0.00945467 -0.00335159 22
6567 225 H 40.9037 28.668 1.73774 -0.000210342 -0.00664831 -0.0064868 22
6568 226 H 42.0841 27.8706 0.741269 -0.000230458 -0.00045909 0.000445295 22
6569 227 H 41.3492 27.0257 2.15008 -0.00993327 0.00569083 0.00396486 22
6570 228 H 30.6538 25.0943 33.0748 -0.00696759 -0.00224025 -0.00440007 22
6571 229 H 30.2069 23.4571 32.6604 0.00857718 0.00808571 -0.0150435 22
6572 230 H 30.7987 22.6707 34.9426 0.0074389 -0.000935558 0.0083772 22
6573 231 H 31.5242 24.228 35.3874 0.00285372 -0.0113641 0.00361254 22
6574 232 H 29.5278 25.3598 35.3931 -0.00707809 -0.00201776 -0.0128074 22
6575 233 H 28.5767 24.0721 34.6284 0.0020237 -0.00204741 0.00203055 22
6576 234 H 27.949 24.3804 36.8622 -0.00893339 -0.0145291 -0.00546275 22
6577 235 H 28.6476 22.7949 36.7383 0.00752695 -0.000815722 -0.000831519 22
6578 236 H 30.6677 23.5392 37.9158 -0.0041434 -0.00710001 -0.00230157 22
6579 237 H 30.1473 25.2213 37.8288 0.00255864 -0.000777119 0.0100296 22
6580 238 H 28.451 24.8469 39.4611 -0.00260574 -0.00399561 0.0166344 22
6581 239 H 28.2887 23.1473 39.134 -0.000477339 0.00207489 0.000770323 22
6582 240 H 30.235 22.587 40.3643 -0.00755374 0.00176547 -0.000735261 22
6583 241 H 30.809 24.2787 40.4648 0.00180766 -0.00599917 0.0099234 22
6584 242 H 28.7958 24.8199 41.8661 0.00187243 -0.00157227 0.00156055 22
6585 243 H 28.2624 23.1419 41.6982 -0.00595286 0.000586663 0.0119348 22
6586 244 H 30.3231 22.3406 42.9809 -0.00119765 -0.00180087 0.00501868 22
6587 245 H 30.9926 23.9412 42.9513 0.000216283 -0.00507517 -0.00668542 22
6588 246 H 29.3081 24.9219 44.3247 0.00550834 0.00306625 -0.00450211 22
6589 247 H 28.3777 23.4222 44.4497 0.00370378 -0.00025812 -0.00340994 22
6590 248 H 30.1504 22.339 45.6258 -0.0044373 0.00126523 0.00312239 22
6591 249 H 31.2244 23.7093 45.4402 -0.00291504 0.00193625 0.00183906 22
6592 250 H 28.5646 23.8373 46.9516 0.00246382 -0.00119985 -0.00698207 22
6593 251 H 30.1307 23.691 47.7199 0.00875265 0.00507425 -0.000990954 22
6594 252 H 29.7222 25.1754 46.731 -0.00520369 -0.00340265 0.00273444 22
6595 253 H 35.2847 28.1351 33.2655 -0.00955997 -0.000794451 0.00653279 22
6596 254 H 35.3925 27.1114 34.7601 -0.00450463 -0.00307212 -0.00127147 22
6597 255 H 37.9398 27.1009 34.2271 0.010418 0.00353594 -0.0157196 22
6598 256 H 37.6844 28.5924 33.3513 -0.00890019 -0.00806245 -0.0145978 22
6599 257 H 38.4476 29.035 35.5254 -0.00528367 0.00308209 0.0129195 22
6600 258 H 36.9655 29.7678 35.346 0.00240212 0.000276885 -0.0113287 22
6601 259 H 35.7903 28.4568 36.7978 -0.000846619 0.00847713 -0.00370663 22
6602 260 H 36.8819 27.0496 36.7223 0.0120076 -0.00319967 -0.00115733 22
6603 261 H 38.6878 28.4945 37.9093 -0.000808831 -0.00598955 -0.0198904 22
6604 262 H 37.3903 29.7178 38.1055 -0.00905226 0.000995491 -0.00229301 22
6605 263 H 36.0157 28.2973 39.4218 0.00954222 0.0181413 0.0147056 22
6606 264 H 37.0201 26.8311 39.0468 0.00440984 -0.000675909 -0.0177547 22
6607 265 H 38.9829 27.6051 40.1581 -0.00402753 -0.0075505 -0.000960041 22
6608 266 H 38.2188 29.1866 40.503 -0.0196732 0.00253777 -0.000705471 22
6609 267 H 37.2002 26.4861 41.5209 -0.00327725 0.00784204 -0.000606876 22
6610 268 H 38.4661 27.3362 42.3163 0.0113001 0.00446781 -0.00575712 22
6611 269 H 36.5613 29.3212 42.1749 0.00628405 -0.00436456 -0.0105313 22
6612 270 H 35.4676 27.9542 42.08 -0.00450829 0.00308715 0.00291279 22
6613 271 H 35.5404 28.5219 44.3972 -0.00315983 0.0011585 0.000370145 22
6614 272 H 36.5412 27.0893 44.2236 -0.00676364 0.00295763 0.00696338 22
6615 273 H 38.6551 28.1059 44.3868 -0.0104081 -0.00768402 -0.0102762 22
6616 274 H 38.0747 29.7144 44.1325 -0.00876626 0.00111217 -0.0027918 22
6617 275 H 37.7049 28.0193 46.5824 0.00379576 -0.000911479 0.00706968 22
6618 276 H 38.6712 29.502 46.4454 -0.00623789 0.00732673 0.00466126 22
6619 277 H 36.8715 29.5461 46.3439 0.00102054 0.000798563 0.00565295 22
6620 278 H 36.2198 19.4885 34.0688 -0.0040859 0.00546955 0.00371488 22
6621 279 H 37.8652 20.0369 34.1417 0.00283427 0.00714615 0.000313071 22
6622 280 H 35.8112 20.6367 36.3276 -0.00159135 -0.00497927 0.00261729 22
6623 281 H 37.422 21.34 36.2672 -0.0229249 0.00712647 0.00705311 22
6624 282 H 38.1666 18.8402 36.1103 0.00354541 0.000457008 -0.00468906 22
6625 283 H 36.5825 18.4715 36.8338 0.00828734 -0.00845345 -0.00865393 22
6626 284 H 38.5972 20.4193 38.0922 0.00787021 -0.00187645 -0.00718694 22
6627 285 H 38.5829 18.6551 38.3233 -0.0047238 0.00396553 0.00466465 22
6628 286 H 36.4044 18.6579 39.2837 0.00350838 -0.00126738 -0.00711687 22
6629 287 H 36.2796 20.4339 39.1669 -0.00696491 0.00416117 0.00916616 22
6630 288 H 38.0991 20.7033 40.7843 0.00683225 0.000201355 -0.0101389 22
6631 289 H 38.5053 19.0332 40.7148 0.00255177 -0.000918669 0.0170957 22
6632 290 H 36.1353 18.5935 41.7962 -0.00331704 -0.00395843 0.0062948 22
6633 291 H 35.9959 20.3081 41.8886 0.010271 0.00615691 0.00788782 22
6634 292 H 37.9649 20.4822 43.3328 -0.0031116 -0.00263665 0.00148532 22
6635 293 H 38.2266 18.7178 43.1553 -0.00108137 -0.00164128 -0.00107212 22
6636 294 H 36.0221 18.3019 44.23 -0.001928 0.00178392 0.00718045 22
6637 295 H 35.8566 20.0261 44.5268 -0.0049386 -0.000183019 0.00798751 22
6638 296 H 38.229 18.3787 45.7269 -0.00916015 -0.00771159 0.0100755 22
6639 297 H 36.6879 18.4564 46.5204 0.00142604 0.00446269 0.00496243 22
6640 298 H 36.9942 21.0105 46.5869 0.00253334 0.00538185 -0.00957709 22
6641 299 H 38.4867 20.8582 45.6956 0.000932811 -0.00366579 -0.00175795 22
6642 300 H 38.9339 21.0658 48.1834 -0.00862679 0.000690516 0.0010475 22
6643 301 H 39.6162 19.6061 47.4246 0.00291852 0.00343486 0.00389583 22
6644 302 H 38.1187 19.5283 48.4164 -0.0134675 0.00183624 -0.00341664 22
6645 1 C 40.9553 20.3728 31.109 0.000315369 0.00172898 -0.00159464 23
6646 2 C 41.0852 20.2229 29.7249 -0.000681105 -0.000421075 0.0016848 23
6647 3 C 40.5886 19.0955 29.0818 -0.00255877 0.00073694 -0.000204377 23
6648 4 C 39.8882 18.1307 29.8061 0.0027508 -0.00137953 0.00338471 23
6649 5 C 39.7352 18.2316 31.1976 0.00557236 -0.000188641 -0.000989332 23
6650 6 C 40.2339 19.4105 31.8724 -0.00390193 -0.00107413 -0.00148933 23
6651 7 C 35.3122 17.0524 30.6411 0.00249105 0.00012519 0.00166635 23
6652 8 C 35.5036 16.918 29.2467 0.00459487 0.00397346 -0.00467648 23
6653 9 C 36.7794 16.7999 28.705 0.00152957 0.00103625 -0.00123425 23
6654 10 C 37.8456 16.877 29.5926 -0.00100843 0.00749193 -0.000546867 23
6655 11 C 37.6911 16.9469 31.0032 -0.00169136 -0.00168454 -0.00530421 23
6656 12 C 36.381 17.1086 31.5339 -0.000350933 -0.000301057 -0.000161191 23
6657 13 C 41.0874 13.686 31.3915 -0.0013862 0.00212125 0.000458828 23
6658 14 C 41.2256 13.6691 30.007 0.00206357 -0.00393005 0.000245487 23
6659 15 C 40.5511 14.617 29.2339 -0.00174877 -0.00494619 -0.00349673 23
6660 16 C 39.932 15.7043 29.8691 0.00239282 -0.00108945 -0.00511513 23
6661 17 C 39.2941 16.8649 29.1501 -0.000771385 -0.00144834 -0.00107481 23
6662 18 O 40.1967 14.5185 33.4611 -0.00188611 -0.000268516 0.00520937 23
6663 19 O 36.131 17.2616 32.869 0.0011562 -0.00118314 -0.00292636 23
6664 20 O 40.1034 19.5752 33.2465 0.00283183 -0.000870735 -0.00540753 23
6665 21 C 40.3524 14.6795 32.0829 -0.000115086 0.00297185 0.00582397 23
6666 22 C 39.5727 16.8171 27.7077 -0.00193988 -0.000998128 0.00127017 23
6667 23 C 40.0168 16.8515 26.5863 -0.00177252 -0.00521604 -0.000969512 23
6668 24 C 40.7928 16.9234 25.387 -0.00337878 0.00208052 -0.00338689 23
6669 25 C 40.5458 17.9834 24.4798 0.00310956 -0.00384947 -0.00109694 23
6670 26 C 41.4652 18.2102 23.4345 -0.000473018 0.00166785 3.59693e-05 23
6671 27 C 42.564 17.335 23.2378 0.000189724 0.0012237 0.00431716 23
6672 28 C 42.8056 16.2849 24.1161 -0.00355913 0.00240393 0.0010225 23
6673 29 C 41.9727 16.1153 25.242 0.00204431 0.00172005 0.000924541 23
6674 30 C 43.3328 17.4456 22.047 -0.00176048 0.000452025 -0.00109719 23
6675 31 C 43.8092 17.4015 20.9222 0.00266214 -0.00620644 -0.00178941 23
6676 32 C 42.5061 13.8309 18.7387 0.000495571 0.000675998 -0.00230998 23
6677 33 C 42.7379 13.7192 17.3334 -0.00141122 -0.00168261 0.000230064 23
6678 34 C 43.3806 14.7695 16.6778 0.000896639 0.00211815 -0.000387421 23
6679 35 C 43.7674 15.9252 17.4035 -0.00220105 -0.000391534 0.000413629 23
6680 36 C 43.5505 16.0108 18.7968 -0.00181083 -0.0008805 -0.00357268 23
6681 37 C 42.89 14.9752 19.4728 -0.0011722 -0.00301956 0.00225552 23
6682 38 C 44.0993 17.287 19.4777 -0.00340861 -0.00051004 0.00586015 23
6683 39 C 47.9895 17.3372 19.3855 -0.00309232 0.000325259 0.00171209 23
6684 40 C 48.1622 17.3327 17.9711 -0.00259272 -0.00123468 0.00336168 23
6685 41 C 47.0558 17.326 17.0977 0.00305319 -0.00100595 -0.00386384 23
6686 42 C 45.7879 17.2416 17.6609 5.76612e-05 0.00134247 -0.000544452 23
6687 43 C 45.6042 17.2878 19.0437 0.00100337 -0.00551011 -0.00119185 23
6688 44 C 46.7163 17.3595 19.9329 0.00728727 0.00191886 0.00118317 23
6689 45 C 42.3035 20.5451 18.2903 -0.000721569 -0.00265943 0.000791181 23
6690 46 C 42.5018 20.4412 16.9046 -0.00218214 -0.00329606 -0.000557168 23
6691 47 C 43.1862 19.3439 16.3832 0.00159679 -0.0100314 -0.000694926 23
6692 48 C 43.6969 18.3724 17.2526 0.00126442 0.000307058 -0.00163056 23
6693 49 C 44.5196 17.1628 16.7991 -1.87604e-05 0.000821691 -0.000755732 23
6694 50 C 43.4877 18.4521 18.6411 -0.000539508 0.00342412 -0.000127789 23
6695 51 C 42.7683 19.524 19.1566 -0.00147006 0.0028552 0.000843201 23
6696 52 O 47.2594 17.5628 15.7855 -0.000506356 -0.0026132 0.000176063 23
6697 53 O 43.7635 14.6072 15.3491 -0.00369127 -0.00213326 0.00344676 23
6698 54 O 43.412 19.2599 15.0245 -0.00134187 0.000494062 0.00303269 23
6699 55 C 39.0118 17.0044 31.8411 0.00122617 0.00307973 -0.000390463 23
6700 56 C 39.8342 15.7472 31.3136 -0.000339821 0.00259606 -0.0026213 23
6701 57 C 47.9281 16.5676 15.0359 0.00524731 -0.00118474 0.00390806 23
6702 58 C 47.6962 16.9446 13.5487 0.00569022 0.000386991 0.000557161 23
6703 59 C 46.1838 17.0942 13.2139 -0.000413829 -0.00307518 -0.0019348 23
6704 60 C 45.87 17.1256 11.702 -5.07136e-05 -0.00232721 -0.00069991 23
6705 61 C 46.5982 16.0594 10.8946 0.000753843 0.00340622 0.000343305 23
6706 62 C 45.9803 15.6871 9.54466 0.000241282 -0.00049537 -0.000540904 23
6707 63 C 46.0465 16.7326 8.45086 0.00314183 0.00251263 0.00158308 23
6708 64 C 46.0089 16.0086 7.09076 0.00143954 0.000329228 0.00554817 23
6709 65 C 46.249 16.8822 5.91472 -0.000479181 -0.00017852 0.00272282 23
6710 66 C 46.2454 16.2014 4.53322 -0.00181921 -0.00313804 -0.00140437 23
6711 67 C 46.4452 17.1917 3.38848 -0.00353934 0.00215544 -0.00283171 23
6712 68 C 46.5783 16.4993 1.99331 -0.000161872 -0.00186983 0.000481574 23
6713 69 F 41.2214 19.1686 22.5235 0.00100058 0.00104548 -0.000102349 23
6714 70 C 44.2146 13.3049 14.9733 0.000209752 -0.00318461 0.000940883 23
6715 71 C 45.164 13.3758 13.7201 0.00238649 0.00323297 -0.000174354 23
6716 72 C 44.565 13.3003 12.3035 0.00252762 0.00373448 -0.000500524 23
6717 73 C 45.5158 12.5006 11.3685 0.00238579 0.000264109 -0.0065509 23
6718 74 C 44.9265 12.1904 10.013 -0.0035869 0.00759887 0.00115414 23
6719 75 C 45.8425 11.2308 9.22288 0.00130079 -0.00270981 -0.00321632 23
6720 76 C 46.6312 11.9114 8.09495 -0.00119762 -0.00404908 0.003288 23
6721 77 C 45.7628 12.1102 6.85102 0.000957887 0.000382392 -0.000208954 23
6722 78 C 46.5577 12.3905 5.55459 -0.00401876 0.000506088 -0.00129619 23
6723 79 C 45.6703 12.3937 4.3151 -0.00225904 -0.00131921 0.000992766 23
6724 80 C 46.4687 12.5537 2.99538 0.000366564 0.000471298 0.000577076 23
6725 81 C 45.5943 12.3422 1.77018 -0.00118438 -0.00134571 0.000655884 23
6726 82 C 42.3521 19.284 14.0632 -0.00741167 -0.00182833 -0.000451113 23
6727 83 C 43.0576 18.7045 12.8039 0.000741939 0.000973467 0.00419399 23
6728 84 C 42.2424 18.9339 11.4916 -0.000538912 0.00581802 -0.000763637 23
6729 85 C 43.0659 18.9387 10.2056 0.00370646 0.00167438 -0.000716619 23
6730 86 C 42.1632 19.1576 8.9888 0.00243577 0.00196582 0.000556205 23
6731 87 C 42.9668 19.4939 7.7281 0.000863909 -0.000311895 -0.000197243 23
6732 88 C 42.1222 19.8002 6.4731 0.00589611 0.00491166 0.00127583 23
6733 89 C 41.8256 18.5424 5.61205 -0.00189652 -0.00160374 7.61511e-05 23
6734 90 C 42.8885 18.4211 4.49022 -0.00108011 0.00367471 -0.000584664 23
6735 91 C 42.4709 19.1479 3.199 -5.51401e-05 0.00204687 -0.000447063 23
6736 92 C 43.3682 18.963 1.93225 -0.00562643 0.00219109 0.00101928 23
6737 93 C 43.3705 17.5109 1.47091 0.00144497 0.00375196 -0.0045776 23
6738 94 C 34.7601 17.2227 33.3673 -0.000421828 0.000908516 -0.00214346 23
6739 95 C 34.6479 17.3736 34.8903 -0.000751443 0.000665761 -0.000207778 23
6740 96 C 33.1997 17.0249 35.2428 0.000218654 -0.000958139 0.00310235 23
6741 97 C 32.7852 17.3796 36.6651 0.00233401 0.00391934 0.00461514 23
6742 98 C 33.7397 17.1045 37.8785 -0.00277129 0.00165477 0.000374552 23
6743 99 C 32.9508 17.4972 39.149 -0.00446339 0.00185787 0.00218807 23
6744 100 C 33.6803 17.188 40.4606 -0.00451319 9.61182e-05 -0.000196886 23
6745 101 C 32.7914 17.5413 41.6782 -0.00519549 0.00364325 0.000327369 23
6746 102 C 33.4796 17.0564 42.9798 0.000145774 0.00404984 0.005382 23
6747 103 C 32.7785 17.3751 44.3072 0.00135221 -0.00184856 0.00473583 23
6748 104 C 33.4818 16.699 45.5283 -0.00350589 -0.000719153 -0.00258849 23
6749 105 C 32.6971 16.8433 46.8232 0.00256136 0.000619264 -0.00454828 23
6750 106 C 40.8029 20.6672 33.9088 0.00033813 -0.00044348 0.00445793 23
6751 107 C 40.7285 20.7216 35.4365 0.00176164 0.000883225 -0.000887027 23
6752 108 C 41.3143 22.0607 35.9087 0.00173148 -0.00111291 0.00189996 23
6753 109 C 40.9781 22.446 37.3738 0.000918256 -0.000238824 0.00036038 23
6754 110 C 42.1447 22.1321 38.4064 0.000288799 -0.00102859 -0.00163586 23
6755 111 C 42.0146 20.7196 38.9794 0.00200939 -0.00285729 0.000682768 23
6756 112 C 41.0026 20.6016 40.1055 0.00196517 -0.00276113 -0.00266576 23
6757 113 C 41.5624 21.0297 41.4925 -0.00125899 0.00528908 -0.000643514 23
6758 114 C 40.5193 20.8147 42.6053 0.000866051 0.00489473 -0.00474325 23
6759 115 C 41.1742 20.6884 43.9579 -0.00216481 -0.00278992 -0.000304361 23
6760 116 C 41.7381 21.9691 44.528 0.00379966 -0.00281574 0.00656784 23
6761 117 C 42.0604 21.8242 46.0432 -0.000104959 -6.87467e-05 -0.0034173 23
6762 118 C 41.0747 13.7188 34.2258 5.61585e-05 -0.00488817 -0.00250426 23
6763 119 C 40.708 13.5375 35.7172 -0.00280075 0.000472668 0.00246343 23
6764 120 C 41.6084 12.5414 36.4593 0.0031377 0.00193776 0.005972 23
6765 121 C 41.9061 12.9051 37.914 -0.00277728 -0.00347761 0.00271903 23
6766 122 C 40.9114 12.4975 38.9928 0.00218635 0.00578522 -0.00534463 23
6767 123 C 41.6279 12.7459 40.3459 -0.00246984 -0.000239376 0.0034075 23
6768 124 C 40.7113 12.7507 41.5882 -0.000724931 0.000953978 -9.4155e-05 23
6769 125 C 41.5057 12.9589 42.9062 6.78194e-05 0.000534807 0.000387272 23
6770 126 C 40.5084 12.9669 44.1237 -0.00471232 -0.000523449 -0.00077074 23
6771 127 C 41.0527 13.5197 45.4486 -0.00180167 -0.000630102 -0.00166492 23
6772 128 C 42.0514 12.539 46.1532 0.000396406 -0.00205823 -0.00286515 23
6773 129 C 41.3209 11.3828 46.8461 0.00218042 -0.00214624 0.00257481 23
6774 130 F 39.4549 18.7821 24.5872 0.00141339 0.00263128 0.00142892 23
6775 131 H 41.3679 21.26 31.5801 0.0176929 0.00183682 -0.0170646 23
6776 132 H 41.5771 21.0046 29.1534 0.0131427 -0.0119651 -0.00217044 23
6777 133 H 40.797 18.9904 28.0212 0.00641287 -0.00759574 0.00237121 23
6778 134 H 34.2831 17.0982 30.9849 -0.0024397 0.00884823 -0.0142567 23
6779 135 H 34.6127 16.8395 28.6306 -0.00892768 0.00691221 0.0144235 23
6780 136 H 36.915 16.8133 27.6276 -0.00366782 0.0204576 -0.00168593 23
6781 137 H 41.5082 12.8081 31.8729 -0.0213854 1.81195e-05 0.0140603 23
6782 138 H 41.7001 12.8596 29.4603 0.00631793 0.00345246 -0.00701981 23
6783 139 H 40.6001 14.5223 28.1531 0.000120825 -0.0050975 -0.00339948 23
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6787 143 H 42.4352 12.8315 16.786 -0.00378943 -0.0101551 0.0152975 23
6788 144 H 42.7174 15.0179 20.5442 0.00319035 -0.0148423 0.00342878 23
6789 145 H 48.8443 17.3276 20.0553 0.00268453 0.00469167 -0.00560883 23
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6792 148 H 41.8541 21.4219 18.747 0.00496205 -0.000450178 0.00216952 23
6793 149 H 42.1528 21.1951 16.2053 -0.00535363 -0.00634274 -0.00226501 23
6794 150 H 44.7487 17.0543 15.7318 -0.00696562 -0.00516917 -0.0016374 23
6795 151 H 42.5922 19.6114 20.2247 0.00485536 0.0083518 0.00143509 23
6796 152 H 38.8728 17.0106 32.9292 0.00595829 -0.0167199 0.000352797 23
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6801 157 H 45.7678 18.0122 13.6472 -0.000376362 -0.00417945 0.000439546 23
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6810 166 H 45.2532 17.4815 8.56567 -0.00588805 -0.00877598 0.012835 23
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6813 169 H 47.2235 17.3668 6.05221 0.00289561 -0.00267453 -0.0123397 23
6814 170 H 45.4854 17.6698 5.90441 -0.00136075 -0.00100335 0.00523119 23
6815 171 H 45.3118 15.6427 4.39343 4.14553e-06 -0.00697522 0.00171427 23
6816 172 H 47.0264 15.4376 4.43249 -0.00292572 -0.00604518 0.0123016 23
6817 173 H 47.3052 17.8396 3.59854 0.0113635 -0.0189502 0.00111796 23
6818 174 H 45.5667 17.8487 3.38068 0.00630787 0.0154943 0.0120774 23
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6825 181 H 45.831 12.5125 13.8346 0.0148267 0.0117834 -0.00805884 23
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6832 188 H 46.5652 10.8331 9.94606 -0.00979657 -0.00467105 0.0068207 23
6833 189 H 45.3015 10.3549 8.84408 -0.00544667 -0.000857091 0.00213759 23
6834 190 H 47.0746 12.8703 8.39027 -0.0108103 -0.000897992 0.00748564 23
6835 191 H 47.4535 11.2224 7.8658 -0.000915675 -0.00517448 0.00766707 23
6836 192 H 45.1914 11.1875 6.69101 0.0131083 -0.00927094 0.0121224 23
6837 193 H 44.9739 12.8253 7.11491 -0.00523995 -0.00869017 0.00602274 23
6838 194 H 47.1262 13.325 5.63776 0.00276511 -0.00321367 -0.00579121 23
6839 195 H 47.3106 11.5971 5.4702 -0.0128196 -0.00690225 -0.0100457 23
6840 196 H 45.1754 11.4147 4.30443 0.00531301 -0.00528249 0.0118584 23
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6842 198 H 46.8914 13.5644 2.93905 -0.00779091 0.00410337 0.00441498 23
6843 199 H 47.2872 11.8235 2.98077 -0.00454411 -0.00482988 -0.010199 23
6844 200 H 46.109 12.5725 0.829227 -0.0185455 -0.00571995 -0.00995206 23
6845 201 H 45.3118 11.2842 1.70406 0.0164687 -0.00598506 -0.000960565 23
6846 202 H 44.7202 13.005 1.78179 0.00641543 0.00865562 0.00292159 23
6847 203 H 41.5175 18.6168 14.3115 -0.00791798 -0.00841555 -0.0197084 23
6848 204 H 42.0155 20.3151 13.8991 -0.00172952 -0.000959171 -0.00668582 23
6849 205 H 44.0295 19.1939 12.6642 -0.00250344 0.00500057 -0.00438268 23
6850 206 H 43.1869 17.6226 12.9314 0.0060895 0.000648677 -0.00397828 23
6851 207 H 41.4993 18.1308 11.4134 0.00332238 0.00199173 0.00172542 23
6852 208 H 41.7561 19.9036 11.6551 -0.00137338 0.00587891 -0.00367376 23
6853 209 H 43.8307 19.7214 10.2819 0.00367915 0.00180907 -0.00183109 23
6854 210 H 43.6302 18.0057 10.0851 -0.00253703 -0.00371838 0.0118857 23
6855 211 H 41.4817 18.3077 8.85994 0.00106199 0.00434133 -0.00779128 23
6856 212 H 41.4992 19.9988 9.22328 0.00103853 0.00297563 -0.00705673 23
6857 213 H 43.5472 20.4077 7.90584 0.00032348 -0.000972202 0.004915 23
6858 214 H 43.6981 18.7222 7.4579 -0.000729642 0.00196694 -0.0110946 23
6859 215 H 41.1576 20.2569 6.72703 -0.00437573 -0.00935772 -0.0119509 23
6860 216 H 42.6089 20.5795 5.87375 -0.0147363 0.0107463 -0.00793377 23
6861 217 H 41.9078 17.6514 6.24668 0.00870225 0.00363002 0.00609321 23
6862 218 H 40.8069 18.6518 5.21992 -0.00296738 0.000564399 0.00344368 23
6863 219 H 43.8771 18.7685 4.81489 0.00469606 -0.00992172 -0.00357812 23
6864 220 H 43.0246 17.3564 4.26351 -0.00881893 0.000469175 0.00983349 23
6865 221 H 41.4596 18.8205 2.92786 -0.00143519 -0.00459945 0.0127504 23
6866 222 H 42.3825 20.2171 3.428 -0.00820646 0.00237546 -0.00511149 23
6867 223 H 43.0292 19.5765 1.08844 0.00406723 -0.00593996 -0.00882302 23
6868 224 H 44.3972 19.2904 2.12569 0.00172902 -0.0155661 -0.00806588 23
6869 225 H 43.6799 16.7959 2.24314 -0.017552 -0.0108057 -0.0104701 23
6870 226 H 42.381 17.2774 1.05888 -0.00558552 0.00535588 0.0114538 23
6871 227 H 44.0952 17.4577 0.649061 -0.00236622 0.0203954 -0.00904571 23
6872 228 H 34.147 18.0135 32.9176 -0.00400826 -0.00469714 -0.00711837 23
6873 229 H 34.2992 16.2717 33.0731 0.00778064 -0.00755175 0.012384 23
6874 230 H 35.3334 16.739 35.4655 0.00155482 0.0011105 -0.00246758 23
6875 231 H 34.8434 18.3805 35.2793 0.00486919 -0.00145011 0.00245446 23
6876 232 H 32.4648 17.5209 34.5969 -0.00235051 -0.00712293 0.00130566 23
6877 233 H 33.1786 15.9347 35.122 0.00953726 -0.000669896 -0.00140313 23
6878 234 H 32.6081 18.4614 36.709 -0.00206401 0.00364449 -0.00669161 23
6879 235 H 31.8376 16.8499 36.8224 0.000251315 0.00388869 -0.0080078 23
6880 236 H 33.9654 16.031 37.8828 -0.00460463 0.00128619 0.00446545 23
6881 237 H 34.654 17.7101 37.8508 -0.00719142 0.00746619 -0.0180073 23
6882 238 H 32.6811 18.5602 39.1198 0.00411232 0.00356455 -0.0147527 23
6883 239 H 32.0142 16.9263 39.1631 -0.00459594 0.00211079 0.00365309 23
6884 240 H 33.8531 16.1081 40.5471 -0.0062422 -0.000566536 -0.00510703 23
6885 241 H 34.6626 17.6741 40.5087 -0.00232411 -0.00490453 0.00584203 23
6886 242 H 32.7281 18.6361 41.706 0.000801088 0.00426262 -0.00970118 23
6887 243 H 31.8049 17.0654 41.6166 -0.00132427 -0.0040508 -0.00238126 23
6888 244 H 33.6446 15.9746 42.9028 0.0103194 0.00673936 -0.0107516 23
6889 245 H 34.4648 17.5377 43.0136 0.000525629 0.00450384 -0.0120745 23
6890 246 H 32.7008 18.4619 44.4347 0.013155 0.00083439 -0.0109474 23
6891 247 H 31.7459 17.0101 44.2443 -0.0041413 0.0155978 -0.00633678 23
6892 248 H 33.6362 15.6305 45.3336 -0.0124837 -0.00411544 0.00896809 23
6893 249 H 34.4817 17.1382 45.6314 -0.00324712 0.00155166 -0.0146205 23
6894 250 H 31.6871 16.4403 46.6785 0.00426172 -0.00462748 -0.00178423 23
6895 251 H 33.1991 16.2856 47.6235 0.0165276 0.0136712 -0.00420711 23
6896 252 H 32.5902 17.8813 47.1617 -0.00993343 -0.0031198 0.00301695 23
6897 253 H 41.8536 20.6078 33.599 -0.0025616 0.0120029 -0.00779258 23
6898 254 H 40.3929 21.6244 33.5637 0.00346544 -0.00370319 -0.00825194 23
6899 255 H 39.7012 20.6003 35.8015 -0.00283286 0.00863233 -0.0113013 23
6900 256 H 41.3009 19.9008 35.8861 0.00455277 0.00169082 -0.00296708 23
6901 257 H 42.4026 22.0062 35.7819 0.00221302 0.010526 0.00107902 23
6902 258 H 41.0178 22.862 35.2206 -0.0017749 -0.00368769 0.00041224 23
6903 259 H 40.7688 23.5228 37.384 0.00824001 0.00107819 0.0110683 23
6904 260 H 40.0486 22.0001 37.7487 -0.000116347 0.00308595 0.00176461 23
6905 261 H 43.1357 22.2658 37.9556 -0.00035394 0.00187221 -0.00218905 23
6906 262 H 42.0764 22.8621 39.2225 -0.00907238 -0.00908931 0.00478733 23
6907 263 H 41.8264 20.0488 38.132 -0.00301131 -0.000637039 4.97485e-05 23
6908 264 H 42.9916 20.4046 39.3663 0.00182582 -0.00268139 0.00128871 23
6909 265 H 40.1286 21.2223 39.8724 0.00890652 0.00779274 -0.000598171 23
6910 266 H 40.6412 19.5659 40.0981 0.00794878 -0.00481458 -0.00792865 23
6911 267 H 42.4578 20.4143 41.6436 0.00184198 0.0111798 0.00489373 23
6912 268 H 41.8494 22.0867 41.5538 -0.00968407 0.00721001 0.00608164 23
6913 269 H 39.8017 21.6408 42.5276 0.00465059 0.00976341 0.0124765 23
6914 270 H 40.004 19.8693 42.3951 0.00446453 -0.000265393 0.00966904 23
6915 271 H 40.391 20.3478 44.6464 -0.0049534 0.0120995 0.00388523 23
6916 272 H 41.9317 19.8949 43.9635 0.00225967 0.00141819 -0.00428436 23
6917 273 H 42.6581 22.2157 43.9837 -0.00279491 -0.00518871 -0.00563967 23
6918 274 H 41.0058 22.7802 44.4322 0.00865686 0.00280632 0.0168106 23
6919 275 H 42.7538 22.6313 46.3103 -0.0100484 0.00599361 0.00402471 23
6920 276 H 41.1533 21.8793 46.6576 -0.000233802 0.00363536 -0.0039406 23
6921 277 H 42.5578 20.8649 46.2321 -0.00201546 0.000679304 0.00538135 23
6922 278 H 41.0958 12.6954 33.8315 0.0108864 0.000786832 -0.0165919 23
6923 279 H 42.1087 14.0837 34.1926 -0.00592625 0.01309 0.00935632 23
6924 280 H 39.6771 13.1813 35.8347 -0.00510784 0.000863271 -0.0166426 23
6925 281 H 40.7707 14.5509 36.1326 -0.00870235 0.0033753 -0.00366887 23
6926 282 H 42.5526 12.4674 35.9057 0.00214454 -0.0190314 0.00706156 23
6927 283 H 41.1654 11.5429 36.3585 0.000196606 0.00382966 6.18221e-05 23
6928 284 H 42.0182 13.9938 37.9887 0.0107935 -0.00443732 -0.00372993 23
6929 285 H 42.8916 12.5122 38.1928 0.00270824 0.00459097 -0.00529284 23
6930 286 H 40.6304 11.4519 38.8166 0.0224496 -0.00244038 0.0113308 23
6931 287 H 39.9973 13.102 38.9443 -0.00147948 -0.000134554 -0.0100254 23
6932 288 H 42.0571 13.7554 40.3358 0.00717084 -0.00431483 0.0064357 23
6933 289 H 42.4308 12.0082 40.4663 -0.00146121 3.85132e-05 -0.00161159 23
6934 290 H 40.2363 11.7624 41.6218 0.00101624 0.000273147 0.00453749 23
6935 291 H 39.933 13.5209 41.5233 -0.0083295 -0.00502259 0.0198043 23
6936 292 H 41.9755 13.9478 42.8369 -0.0021565 0.0017079 0.00199754 23
6937 293 H 42.2856 12.2105 43.0934 -0.00834974 -0.00699529 0.00540672 23
6938 294 H 40.0855 11.9574 44.1981 0.000526848 -0.00271923 -0.000766579 23
6939 295 H 39.6699 13.6452 43.923 -0.000242377 0.00405738 -0.00395882 23
6940 296 H 40.2163 13.7624 46.1155 -0.000211703 0.0126644 -0.00450177 23
6941 297 H 41.5547 14.4792 45.2734 0.00291867 -0.00101566 0.00971089 23
6942 298 H 42.6408 13.079 46.9044 -0.00024553 -0.0102506 0.00353714 23
6943 299 H 42.7782 12.1249 45.4435 0.000301489 0.00394034 -0.00645664 23
6944 300 H 40.9753 10.647 46.1095 0.0100348 -0.0077128 0.00443064 23
6945 301 H 40.4576 11.7568 47.4102 0.00630462 -0.000488405 0.00779312 23
6946 302 H 42.0305 10.8833 47.5172 -0.00482627 0.00183066 0.0129283 23
6947 1 C 44.8204 27.2249 31.2421 -0.000848686 -0.00350838 0.00190238 24
6948 2 C 44.9658 27.1562 29.8617 -0.000315005 0.000147934 -0.00270585 24
6949 3 C 44.4328 26.0788 29.1587 0.00160089 -0.000921384 -0.000997906 24
6950 4 C 43.8368 25.0234 29.8732 -0.000950906 0.00093221 -0.00204673 24
6951 5 C 43.6449 25.1169 31.2798 0.00292632 0.00355638 0.00324417 24
6952 6 C 44.1232 26.257 31.9696 0.00051291 -0.000931549 -0.00497975 24
6953 7 C 39.2668 23.6297 30.405 -0.00079025 0.00134165 0.000994137 24
6954 8 C 39.4962 23.6106 29.0328 0.00343352 0.00591692 0.00278517 24
6955 9 C 40.8237 23.6596 28.5602 0.000824035 -0.00277018 5.02876e-05 24
6956 10 C 41.8918 23.7207 29.4964 0.00228697 -0.00326163 -0.00520814 24
6957 11 C 41.6188 23.8005 30.89 -0.00184611 -0.00221626 0.00380197 24
6958 12 C 40.2898 23.7234 31.3804 0.00179564 0.000215754 0.00564834 24
6959 13 C 44.9016 20.5823 31.712 -0.00173927 -0.00151972 -0.0040386 24
6960 14 C 45.1221 20.5361 30.3504 0.00358224 0.00143855 0.00208977 24
6961 15 C 44.6588 21.5689 29.5271 -0.00129409 -0.000489946 -0.00301974 24
6962 16 C 43.9251 22.6151 30.0286 -0.00155325 -0.000288233 0.00467043 24
6963 17 C 43.3548 23.7524 29.1882 -0.00352884 -0.000771988 -0.00516429 24
6964 18 O 43.9016 21.7107 33.6895 -0.000581918 0.00193041 -0.00263348 24
6965 19 O 40.0297 23.7295 32.7287 -0.00159428 0.00165146 -0.0044133 24
6966 20 O 43.9132 26.427 33.31 0.00115904 0.00275833 0.00210976 24
6967 21 C 44.1438 21.6175 32.2933 0.00155895 0.000447585 0.00104122 24
6968 22 C 43.7934 23.6697 27.7882 -0.00284332 0.000427962 -0.0024695 24
6969 23 C 44.2779 23.6018 26.6578 -0.00433714 0.000369122 0.00169641 24
6970 24 C 44.9976 23.6139 25.4188 0.00143089 -0.00598654 -0.00650654 24
6971 25 C 46.1613 22.8036 25.2836 0.00266903 -0.000856366 0.000815637 24
6972 26 C 46.9412 22.8789 24.1213 0.00216648 0.000511229 0.000245883 24
6973 27 C 46.5903 23.7767 23.0964 0.00263242 -0.00271862 0.0049103 24
6974 28 C 45.4374 24.5674 23.2466 -0.00280323 0.0047277 0.00133563 24
6975 29 C 44.6727 24.5328 24.4257 0.00327693 0.00237427 0.00286071 24
6976 30 C 47.3367 23.8509 21.8671 0.00229377 -0.00033752 0.00138873 24
6977 31 C 47.7875 23.9563 20.747 0.00176569 0.000774488 -0.00302577 24
6978 32 C 46.1427 20.6772 18.4786 -0.00155125 0.0040977 -0.00569679 24
6979 33 C 46.2185 20.6892 17.0805 -0.000295296 -5.57067e-05 0.00132199 24
6980 34 C 46.9432 21.7163 16.4216 -0.00074925 0.000574711 5.61857e-05 24
6981 35 C 47.5238 22.7262 17.1938 -0.00289835 0.00152049 0.001084 24
6982 36 C 47.4111 22.743 18.619 -0.00194426 -0.00169152 0.000382493 24
6983 37 C 46.7264 21.6958 19.249 -0.0043711 -0.00432887 0.00298458 24
6984 38 C 48.0692 23.9549 19.3315 -0.00275456 -0.00115964 0.00522353 24
6985 39 C 51.965 23.8872 18.7931 -0.000807347 0.00121001 -0.00123057 24
6986 40 C 51.986 23.8867 17.3974 0.00156734 -0.0029281 0.00716592 24
6987 41 C 50.7776 23.8802 16.6764 -0.00235513 0.000350287 -0.0028603 24
6988 42 C 49.5955 23.9224 17.3896 -0.00444785 -0.00203023 0.00107697 24
6989 43 C 49.5319 23.8978 18.8039 0.000626243 -0.00227368 0.00309917 24
6990 44 C 50.7424 23.9482 19.5019 0.00365808 -0.000686085 -0.00336947 24
6991 45 C 46.3794 27.3637 18.4967 -0.00544643 0.0024345 0.00050633 24
6992 46 C 46.6648 27.4039 17.1345 -9.61792e-05 0.00938479 -0.00328083 24
6993 47 C 47.1959 26.2913 16.4931 -0.00344296 0.000465462 -0.000136528 24
6994 48 C 47.5991 25.1908 17.2358 0.00382124 0.000558642 -0.00203013 24
6995 49 C 48.2629 23.9458 16.6653 -0.00201559 -0.000237499 0.00169876 24
6996 50 C 47.438 25.181 18.6379 6.89144e-05 0.00284932 -0.000737293 24
6997 51 C 46.8191 26.2632 19.2628 -0.00158354 0.00109961 0.00170989 24
6998 52 O 50.6889 23.7206 15.3118 -0.00199202 -0.000406194 -0.000469878 24
6999 53 O 47.128 21.7848 15.0283 0.00271475 -0.00441165 0.000185147 24
7000 54 O 47.3095 26.337 15.138 0.00508244 -0.00186407 -0.00395954 24
7001 55 C 42.8549 23.9099 31.8556 -0.00251015 -0.00079514 -0.00112985 24
7002 56 C 43.6554 22.6471 31.4265 -0.00180094 0.000706548 -0.000551759 24
7003 57 C 51.5066 22.8209 14.5444 -0.000681406 0.00384381 0.00282023 24
7004 58 C 50.6229 22.3072 13.3967 -0.00240887 0.00269119 0.00239865 24
7005 59 C 50.1755 23.3349 12.3489 -0.000776747 -0.0029902 0.00355087 24
7006 60 C 50.6419 22.891 10.8968 0.00179604 0.000552277 -0.0013244 24
7007 61 C 49.9925 23.6539 9.69862 -0.00148725 0.00366574 -0.00218802 24
7008 62 C 50.5628 23.1014 8.36654 0.00114401 0.0048815 -0.00120882 24
7009 63 C 49.8401 23.5516 7.10418 -0.000407033 0.00507152 0.00045054 24
7010 64 C 50.3964 22.9254 5.8303 0.00406754 0.00122247 0.00678532 24
7011 65 C 49.7887 23.5559 4.57353 -0.000105034 0.000968795 -0.00233261 24
7012 66 C 50.3094 22.9444 3.26387 -0.0020996 0.000817832 -0.00480037 24
7013 67 C 49.9623 23.727 2.006 -0.00228066 0.000402886 0.00127872 24
7014 68 C 50.7148 23.2027 0.772311 -8.23681e-05 -0.00178513 -0.000462393 24
7015 69 F 47.9996 22.0368 23.9683 -0.000813712 -0.00239502 0.000524298 24
7016 70 C 46.476 20.8401 14.1719 -0.00020484 -0.00105357 -0.000908414 24
7017 71 C 47.1402 20.8115 12.7865 -0.00144086 -0.00100672 -0.000817391 24
7018 72 C 46.3491 21.4424 11.6231 -0.000564802 0.00423333 0.000629585 24
7019 73 C 47.0338 21.0173 10.3085 0.00200917 -0.00201327 0.00372116 24
7020 74 C 46.3251 21.5782 9.08475 -0.00106196 0.00240449 -0.000643001 24
7021 75 C 46.8532 20.8928 7.77613 -0.00340205 -0.0030633 0.00226232 24
7022 76 C 46.1895 21.3104 6.44841 0.000391763 -0.00359337 0.00318668 24
7023 77 C 46.9398 20.6076 5.29366 0.000898026 0.000604694 0.00410381 24
7024 78 C 46.2859 20.6445 3.90418 0.000609035 -0.000931147 -0.0023294 24
7025 79 C 46.359 22.0075 3.22169 -0.00377461 0.00216709 -0.00330425 24
7026 80 C 45.6108 22.0306 1.87671 0.00275518 0.00247057 0.00143484 24
7027 81 C 46.2941 21.1757 0.782499 0.00359368 -0.00393148 -0.00359399 24
7028 82 C 48.4445 27.071 14.6545 0.00134657 0.00116082 2.2756e-05 24
7029 83 C 48.4911 26.8967 13.1264 0.00214614 0.00264218 -0.000572351 24
7030 84 C 49.4264 27.8697 12.4412 -0.00318045 0.00348847 -0.00441741 24
7031 85 C 49.3682 27.7316 10.9102 -0.000206338 0.00073608 0.00232953 24
7032 86 C 50.2851 28.6902 10.1491 -0.00177718 0.00244096 0.00148455 24
7033 87 C 50.0249 28.8172 8.60613 -0.00158314 0.00165964 0.00669045 24
7034 88 C 49.8056 27.4604 7.85541 -0.00247837 0.000102701 0.000268585 24
7035 89 C 49.5703 27.6045 6.29832 0.00493645 0.00315995 -0.00136858 24
7036 90 C 50.7147 28.2089 5.5093 -0.000294621 0.00438596 -0.00396307 24
7037 91 C 50.6299 27.8079 4.0409 0.00459801 -0.00435196 -0.00318062 24
7038 92 C 49.4174 28.4122 3.33881 -0.00289966 0.00173946 -0.00174057 24
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7070 124 C 45.4288 18.7719 40.8217 0.00164843 -0.00337159 6.35583e-05 24
7071 125 C 44.9531 19.4281 42.1533 -0.000666883 -0.000241791 -0.000544742 24
7072 126 C 45.898 19.4064 43.3587 -0.000471414 -0.00484994 0.00158102 24
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7075 129 C 45.2258 20.1548 47.1614 -0.00270732 -0.00133049 -0.00629186 24
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7250 2 C 2.22154 33.892 29.8785 -0.000562428 -0.000761687 -0.00174136 25
7251 3 C 1.66536 32.8326 29.1495 0.00205907 0.00311705 -0.00262804 25
7252 4 C 0.857717 31.8735 29.7753 0.00033737 0.00404656 -0.00364064 25
7253 5 C 0.593336 31.9721 31.1372 -0.00171998 -0.000684764 -0.00141473 25
7254 6 C 1.07538 33.0503 31.8813 0.00151146 -0.00202354 -0.000136279 25
7255 7 C -3.86068 30.4723 30.3529 0.00179239 -0.000558728 -0.00303349 25
7256 8 C -3.62727 30.3292 28.9753 -0.000801799 0.000740986 -0.000643434 25
7257 9 C -2.3245 30.4633 28.4968 -0.0031513 -0.00352955 -0.00249508 25
7258 10 C -1.22805 30.6095 29.3758 -0.00152011 0.00145925 -0.000937786 25
7259 11 C -1.46756 30.6774 30.8031 -0.000401697 0.00112112 0.0034949 25
7260 12 C -2.79842 30.6509 31.2622 -0.00353793 -0.000631304 -0.000838008 25
7261 13 C 1.69772 27.3733 31.4105 -0.000356718 0.00209027 -0.00343311 25
7262 14 C 2.01016 27.3752 30.0675 0.000748689 0.00340157 1.09978e-05 25
7263 15 C 1.55274 28.4127 29.2531 0.00122926 -0.00408031 0.0018502 25
7264 16 C 0.832294 29.485 29.8173 0.00118029 -0.00141605 0.00161384 25
7265 17 C 0.27591 30.6474 29.0369 0.00444553 0.00465553 0.00460527 25
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7647 97 C -0.988432 37.5221 36.5071 0.00174034 -4.64722e-05 0.000428368 26
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7649 99 C -1.80331 38.1815 38.8807 0.00164594 -0.000296186 -0.00205416 26
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7652 102 C -1.55938 37.5232 42.1501 -0.00147228 0.00153607 0.000965644 26
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7655 105 C -2.56912 37.6495 45.9441 0.00150047 -0.0026912 0.00128363 26
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7662 112 C 6.18673 42.4557 40.7048 0.00391928 -7.38802e-05 -0.00303692 26
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8171 17 C 11.9548 37.4686 29.1838 0.00173186 -0.00295146 0.00413818 28
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8178 24 C 13.3671 37.604 25.3729 -0.00290163 0.00437741 0.000899044 28
8179 25 C 14.0249 38.7483 24.9305 0.00404765 -0.000455518 0.00343882 28
8180 26 C 14.9095 38.675 23.8287 0.000876653 -0.00280181 0.00420492 28
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8185 31 C 16.3899 37.471 20.8728 0.00355384 0.000600891 0.000802317 28
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8187 33 C 14.8671 34.4908 17.0326 -0.0018272 0.00010352 -0.000331328 28
8188 34 C 15.6085 35.5571 16.4671 0.00361167 0.0034009 0.000306146 28
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8196 42 C 18.3522 37.6412 17.6246 0.000749719 -0.00190859 -0.00157102 28
8197 43 C 18.1861 37.5855 19.0351 0.00152973 0.00105236 0.00187967 28
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8203 49 C 17.0258 37.7061 16.8725 0.0022441 -0.000423055 -0.00151245 28
8204 50 C 16.1693 38.8514 18.8293 0.00186664 -0.00094756 0.00142026 28
8205 51 C 15.6152 39.9282 19.5018 3.01814e-05 -0.00403328 -0.0027204 28
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8210 56 C 12.432 36.1342 31.2143 -0.000814389 -8.44512e-05 0.002361 28
8211 57 C 20.3137 36.5211 15.0559 -0.000733596 -2.26795e-05 0.00107069 28
8212 58 C 19.3452 35.9902 13.9715 0.000196691 0.000866692 -5.75598e-05 28
8213 59 C 19.2958 36.8925 12.7222 0.00377286 -0.00349556 0.00262168 28
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8217 63 C 18.4844 37.8112 7.75985 0.000694044 0.00144946 -0.00157635 28
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8219 65 C 18.256 38.0216 5.21355 0.000854871 0.00169809 0.0062958 28
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8225 71 C 15.4564 35.5298 12.8296 0.00210576 -0.00139408 -0.00187459 28
8226 72 C 15.1721 34.6076 11.593 -0.00209078 3.19952e-05 0.00229077 28
8227 73 C 14.9895 35.4407 10.303 0.00322132 -0.00192267 -0.0032491 28
8228 74 C 14.8799 34.5836 9.06356 0.00112944 0.00258184 0.00237933 28
8229 75 C 14.7142 35.518 7.86628 -0.00155568 -0.00188395 -0.00364719 28
8230 76 C 14.687 34.7787 6.48035 -0.00271376 -0.00109027 -0.00129328 28
8231 77 C 14.8978 35.6645 5.29352 -0.000524502 0.00278627 -0.000579253 28
8232 78 C 14.8187 34.9874 3.89603 -0.000495038 -0.00379627 0.00316345 28
8233 79 C 14.6664 36.0703 2.79167 -0.00164284 0.000359005 -0.000735649 28
8234 80 C 14.5329 35.6203 1.34426 -0.000708146 0.00153289 -0.00466751 28
8235 81 C 14.216 36.804 0.396795 -0.000979621 0.00488682 0.00252583 28
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8237 83 C 16.9094 40.1888 13.1361 0.00160075 -0.00280818 -0.00045043 28
8238 84 C 18.1104 40.4387 12.1881 0.000705278 -0.00415554 -0.00231677 28
8239 85 C 18.229 41.929 11.7169 0.00237317 -0.00438319 0.00182638 28
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8241 87 C 18.3761 41.525 9.15633 0.00236073 -0.000825721 -0.00318826 28
8242 88 C 19.0692 41.9768 7.84995 0.00381112 -0.00314548 0.00223523 28
8243 89 C 18.2436 41.6001 6.61923 0.000388403 0.000548052 -0.00166917 28
8244 90 C 18.8013 42.1639 5.29282 -0.00177796 -0.000410576 -0.00210325 28
8245 91 C 18.0029 41.7531 4.03978 -0.00239076 0.00114829 -0.00276836 28
8246 92 C 18.616 42.3 2.73351 -0.00344831 -0.00569009 -0.00297699 28
8247 93 C 17.9807 41.7364 1.41823 -0.00431687 0.00131452 -0.00174787 28
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8249 95 C 7.58781 37.8104 34.9772 0.00550595 -0.0033008 0.000437171 28
8250 96 C 6.39304 37.443 35.8756 -0.000616678 -0.000542026 0.000351588 28
8251 97 C 6.42879 38.2054 37.2431 0.000169954 0.000926298 0.00104412 28
8252 98 C 6.14933 37.3143 38.4248 -0.00174136 0.00272094 0.000695391 28
8253 99 C 6.02359 38.0922 39.7781 0.00105761 0.00133097 0.00226935 28
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8255 101 C 5.97327 37.8713 42.3516 0.000260792 -0.00221776 0.000786367 28
8256 102 C 5.63609 36.9266 43.5085 0.00174077 0.00226868 0.000360759 28
8257 103 C 6.26806 37.2912 44.8815 0.00516791 -0.00267632 -0.000787835 28
8258 104 C 5.79056 36.3138 46.0455 -0.000350087 -0.00377747 -0.00111939 28
8259 105 C 6.66785 36.2242 47.2811 0.000748897 0.000820724 0.000892694 28
8260 106 C 13.8765 40.0257 34.2888 -0.00191252 0.000783787 0.000222932 28
8261 107 C 13.4818 41.3494 35.0132 0.000233577 -0.000680808 -0.00425432 28
8262 108 C 14.2316 41.4523 36.3748 0.0032816 -0.00231511 -0.00183468 28
8263 109 C 13.6192 42.5 37.2891 0.000561398 -0.00168991 0.00365665 28
8264 110 C 14.1496 42.5243 38.739 -0.000259199 0.00183487 0.00146945 28
8265 111 C 13.9198 41.2081 39.5527 0.00277481 0.00366389 -0.00146064 28
8266 112 C 13.1138 41.5382 40.8066 0.00199872 0.000158234 -0.000651912 28
8267 113 C 14.0187 42.0171 41.9278 0.0010495 -0.000570315 0.00156104 28
8268 114 C 13.2856 42.1432 43.3015 0.00213427 -0.000491261 0.00033493 28
8269 115 C 14.1905 42.3395 44.5075 -0.00197558 -0.00389931 -0.000362613 28
8270 116 C 13.4594 42.2704 45.889 0.000206588 -0.00784434 -0.00353982 28
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8273 119 C 13.7697 33.0806 34.5081 0.000353851 -0.00126899 0.000556242 28
8274 120 C 13.4984 32.9712 36.0313 0.000824688 -0.00202418 -7.54958e-05 28
8275 121 C 14.4638 32.0136 36.7904 0.00270306 -0.005204 -0.0020907 28
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8277 123 C 14.0393 33.0011 39.1233 -0.00571059 0.00282222 0.000910078 28
8278 124 C 13.9594 32.4847 40.5567 0.00289928 0.00141263 -0.000978063 28
8279 125 C 14.0519 33.6656 41.548 0.00333528 0.00126896 -0.00107711 28
8280 126 C 14.1744 33.139 42.9656 -0.00278394 -0.00316283 0.000867977 28
8281 127 C 14.3472 34.3493 43.9207 0.0012646 0.00322365 0.00403241 28
8282 128 C 14.6325 33.9449 45.3796 -0.0017165 0.000587441 0.00357929 28
8283 129 C 13.5787 33.0984 46.091 -0.00419936 0.00056287 0.00110087 28
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8396 242 H 7.03318 38.1519 42.3867 0.000399856 -0.001316 -0.0102942 28
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8398 244 H 4.54042 36.8745 43.5233 0.00166439 0.00542322 0.00509311 28
8399 245 H 5.99577 35.9281 43.231 -0.00224248 -0.00141666 0.00848772 28
8400 246 H 7.36431 37.3209 44.8538 0.00412707 0.0282931 -0.00853803 28
8401 247 H 5.93108 38.3026 45.1403 0.00727714 -0.00225229 0.000295196 28
8402 248 H 4.76262 36.5711 46.3292 0.0025809 0.00457616 0.00189402 28
8403 249 H 5.71614 35.2916 45.6542 -0.00835672 -0.0130625 0.0246428 28
8404 250 H 7.02078 37.1842 47.6777 0.0118088 -0.000552487 -0.00560986 28
8405 251 H 6.11214 35.7175 48.0798 -0.0107382 0.0113615 -0.000407183 28
8406 252 H 7.55719 35.6234 47.054 -0.00617101 -0.0094629 0.00101436 28
8407 253 H 14.1035 39.311 35.0895 0.00701685 0.00282863 -0.0004753 28
8408 254 H 14.8206 40.1923 33.7556 -0.00118452 -0.00659003 -0.000765286 28
8409 255 H 13.742 42.1969 34.367 -0.011023 0.0112582 0.00688573 28
8410 256 H 12.4023 41.4298 35.1909 -0.00279342 -0.0178603 -0.015041 28
8411 257 H 14.2686 40.4687 36.8593 -0.00923306 -0.00263124 -0.00157048 28
8412 258 H 15.2757 41.718 36.1681 4.69302e-05 0.00701372 -0.00616502 28
8413 259 H 13.7666 43.4858 36.8307 0.0119128 -0.00583939 -0.00160168 28
8414 260 H 12.5366 42.3274 37.3284 -0.000338851 0.00330529 0.000944949 28
8415 261 H 15.2307 42.7096 38.7204 0.000898079 -0.00535948 -0.00263161 28
8416 262 H 13.7507 43.4069 39.2542 0.0142129 0.0088772 0.000670002 28
8417 263 H 13.3116 40.4786 39.0037 0.0036247 -0.0054892 0.00972802 28
8418 264 H 14.8726 40.6968 39.7377 0.000946404 0.00227435 0.00405706 28
8419 265 H 12.3314 42.287 40.6317 0.00251395 0.000753189 -0.000409473 28
8420 266 H 12.5828 40.6319 41.123 0.00523136 -0.00456163 -0.00874146 28
8421 267 H 14.8442 41.3027 42.0353 0.0045358 0.00258122 -0.00424296 28
8422 268 H 14.4873 42.9695 41.651 0.0141129 -0.00442556 0.0103754 28
8423 269 H 12.5468 42.945 43.1799 -0.00993014 -0.00934234 0.0154134 28
8424 270 H 12.7061 41.2189 43.4171 0.00537918 -0.00261295 -0.00036512 28
8425 271 H 15.0278 41.6309 44.4986 0.0102061 0.0104423 0.00210783 28
8426 272 H 14.6026 43.3448 44.3561 0.0069221 -0.00858845 -0.00721266 28
8427 273 H 12.668 43.0258 45.9697 0.00581812 -0.00116006 -0.0111275 28
8428 274 H 12.9468 41.3075 46.0049 0.00319111 -0.00879744 0.00166949 28
8429 275 H 14.8021 43.532 47.0437 -0.00718236 -0.000150015 -0.00525146 28
8430 276 H 13.8992 42.2101 47.942 -0.00541609 -0.00496214 -0.00321825 28
8431 277 H 15.281 41.7946 46.9084 0.00253201 0.000318784 0.0148186 28
8432 278 H 11.6267 33.4388 34.414 0.00199646 -0.00478464 -0.0044087 28
8433 279 H 12.3217 32.7632 32.9057 0.00685624 0.00155455 -0.00580895 28
8434 280 H 14.4645 33.9032 34.2986 0.00541682 -0.00414901 0.00613017 28
8435 281 H 14.1763 32.1588 34.0743 0.0124518 0.000950734 0.00721201 28
8436 282 H 12.4528 32.7022 36.2254 0.00177003 0.00738894 0.0180791 28
8437 283 H 13.6341 33.9571 36.4927 0.0089926 0.000179926 -0.00717861 28
8438 284 H 15.4654 32.4611 36.7861 -0.00633984 0.015093 -0.00207303 28
8439 285 H 14.5258 31.0959 36.1925 0.00791282 -0.00405988 -0.00331041 28
8440 286 H 14.6237 30.9681 38.664 -0.00265889 -0.00815012 -0.0144945 28
8441 287 H 12.9641 31.389 38.0867 -0.00208307 0.0133384 0.00146467 28
8442 288 H 13.224 33.681 38.8466 -0.00453468 0.00636637 0.00619168 28
8443 289 H 14.9893 33.5326 38.9872 -0.00861062 0.0103844 0.0102226 28
8444 290 H 14.7275 31.7367 40.7888 -0.000369662 -0.00306089 -0.00457197 28
8445 291 H 12.9999 31.9723 40.699 -0.00219274 0.0135905 0.00857952 28
8446 292 H 13.2284 34.3878 41.4864 0.00724817 0.0045557 -0.0148678 28
8447 293 H 14.9308 34.266 41.2826 0.0107313 -0.00410159 0.011345 28
8448 294 H 15.0324 32.4571 43.014 -0.00149465 -0.00142981 0.0024047 28
8449 295 H 13.2597 32.5899 43.221 -0.00769145 0.00141807 -0.0068438 28
8450 296 H 13.4136 34.9254 43.9168 -0.00257397 -0.00302675 -0.00105703 28
8451 297 H 15.1564 34.9695 43.5158 0.00533077 -0.00573088 -0.00159969 28
8452 298 H 14.7473 34.8042 46.0517 -0.00694352 0.00322584 0.00109887 28
8453 299 H 15.522 33.3052 45.435 -0.00358121 -0.00312175 -0.00944904 28
8454 300 H 12.6321 33.6479 46.1641 -0.000829301 0.00853186 -0.0150849 28
8455 301 H 13.9487 32.9302 47.1099 0.00843611 0.00208579 -0.00321849 28
8456 302 H 13.4194 32.1714 45.5265 -0.00199584 -0.00533207 0.0101953 28
8457 1 C 17.2741 33.8104 31.1805 0.000916843 0.0015796 0.00141855 29
8458 2 C 17.4317 33.6815 29.8064 -0.00067411 0.000531867 0.00322017 29
8459 3 C 16.9926 32.5236 29.1894 -0.00106021 -0.00233809 -0.00294943 29
8460 4 C 16.3987 31.4938 29.9238 0.00299816 -0.00104149 -0.00534204 29
8461 5 C 16.2737 31.5614 31.3568 -0.00294624 -0.00511313 -0.0018257 29
8462 6 C 16.7458 32.772 31.9667 0.00264488 0.00150682 -0.000114029 29
8463 7 C 11.8132 30.4211 30.8677 0.000440905 0.0043625 -0.00125914 29
8464 8 C 11.9619 30.3 29.4999 0.00183607 -0.00357399 -0.000999469 29
8465 9 C 13.239 30.2098 28.9329 0.000782771 0.00419721 0.00617929 29
8466 10 C 14.3288 30.2409 29.791 0.000538613 -0.00017202 0.00107496 29
8467 11 C 14.1858 30.331 31.2272 -0.00167923 -0.0028453 0.00393719 29
8468 12 C 12.901 30.3592 31.798 -0.00186791 -0.00420109 -0.00200898 29
8469 13 C 17.2994 26.895 31.4592 0.00412486 -0.0025712 -0.000134502 29
8470 14 C 17.4757 26.9059 30.0847 -0.000847253 -0.00582081 -0.00107116 29
8471 15 C 16.9424 27.9619 29.371 0.00384252 0.0011655 0.00183074 29
8472 16 C 16.4178 29.0814 30.0163 0.00221638 0.00135233 0.00413215 29
8473 17 C 15.7958 30.2742 29.3091 0.00150542 -0.00242418 0.000521991 29
8474 18 O 16.6213 27.8671 33.5835 0.00233212 0.00203274 -0.00558886 29
8475 19 O 12.6951 30.3353 33.1455 0.00145423 -0.00149426 0.00396808 29
8476 20 O 16.6933 32.9715 33.3398 0.00229233 -0.00180101 -0.00429934 29
8477 21 C 16.7027 27.9681 32.1769 -0.00574009 0.0012772 -0.00161941 29
8478 22 C 16.0085 30.2345 27.8849 -0.00788576 0.00028825 0.00168653 29
8479 23 C 16.4603 30.3368 26.7911 0.00179168 0.00090746 -0.000311103 29
8480 24 C 17.213 30.4942 25.5918 0.00464031 -0.0040135 0.00326696 29
8481 25 C 16.933 31.5469 24.699 -0.000557842 -0.00116509 0.00370968 29
8482 26 C 17.783 31.8022 23.6436 -0.000958519 0.00318169 0.00337005 29
8483 27 C 19.0022 31.0765 23.5388 -0.00349268 0.00144643 -0.000252387 29
8484 28 C 19.2694 30.0084 24.4275 0.000500811 -0.00272084 0.00335587 29
8485 29 C 18.3558 29.6996 25.4573 0.00571638 0.00287752 -0.00221953 29
8486 30 C 19.8314 31.2042 22.373 0.000668103 0.00153008 -0.00231958 29
8487 31 C 20.3429 31.2063 21.3 0.00133623 -0.000132316 0.00186304 29
8488 32 C 19.0989 27.7171 19.2053 0.000876951 -0.00191481 0.000289669 29
8489 33 C 19.4855 27.6213 17.8543 0.000204344 -0.00756219 -0.0058752 29
8490 34 C 20.0919 28.6504 17.1432 0.00499598 -0.000970899 -0.00353633 29
8491 35 C 20.3096 29.827 17.8168 -0.000159856 0.00338725 -0.000346127 29
8492 36 C 20.0933 29.9192 19.2165 -0.00241689 0.00652191 0.00292851 29
8493 37 C 19.4228 28.8848 19.8871 -0.000422202 -0.00605259 -6.74659e-05 29
8494 38 C 20.7174 31.1353 19.8753 -0.000953717 -0.000223338 0.0033379 29
8495 39 C 24.6102 30.8673 19.7981 -0.00148973 0.00251715 0.00476471 29
8496 40 C 24.7736 30.8498 18.3825 0.00309234 0.00083708 -0.00306511 29
8497 41 C 23.7144 30.9349 17.5141 -0.00151671 0.000137165 0.0011196 29
8498 42 C 22.41 30.9645 18.0478 -0.000275872 0.00115663 0.00163201 29
8499 43 C 22.2183 31.0278 19.4665 -0.00114675 -0.00583522 0.000738779 29
8500 44 C 23.3396 30.9837 20.3209 0.000690311 -0.00190755 0.00116206 29
8501 45 C 18.7879 34.2623 18.6973 0.00274845 0.00127522 0.00143974 29
8502 46 C 19.0208 34.1573 17.3027 0.000937878 -0.000347033 0.00244425 29
8503 47 C 19.8051 33.1361 16.7957 0.00403701 0.000100547 -0.00107281 29
8504 48 C 20.3237 32.1795 17.6617 0.000809263 -0.00168642 0.000694365 29
8505 49 C 21.1034 30.9959 17.2424 0.000334044 -0.00241867 -0.000876636 29
8506 50 C 20.1462 32.3194 19.0703 -0.00495677 0.00121102 0.00111989 29
8507 51 C 19.3633 33.3631 19.6202 0.00155515 -0.00481124 -0.00200382 29
8508 52 O 23.8963 31.1146 16.1781 0.00169625 -0.00212168 -0.000863361 29
8509 53 O 20.507 28.4511 15.8498 -0.00606382 -0.00259006 -0.00423507 29
8510 54 O 19.9358 33.0405 15.4328 -0.00238539 -0.000950961 0.00562857 29
8511 55 C 15.5525 30.3231 31.9861 -0.000221883 -0.000104106 -0.00097837 29
8512 56 C 16.2956 29.0936 31.4269 0.00112515 -0.00215187 -0.00113438 29
8513 57 C 23.4531 30.1881 15.1771 0.00233343 0.000305028 0.00321361 29
8514 58 C 23.1046 30.9868 13.8904 0.00256613 0.000835306 0.000319029 29
8515 59 C 22.5428 30.1078 12.7511 -0.000893061 -0.00246436 0.00493973 29
8516 60 C 22.4542 30.8634 11.4295 0.00280833 -0.000301067 -0.00176451 29
8517 61 C 22.0434 30.0291 10.2108 0.00260061 0.000262439 0.00330474 29
8518 62 C 21.8797 30.9819 9.05834 0.0029004 0.00162631 -0.0033399 29
8519 63 C 21.5943 30.4068 7.69303 0.00358013 -0.00111854 -0.00375352 29
8520 64 C 22.8409 30.0796 6.85494 -0.000114097 -0.00449743 -0.00326122 29
8521 65 C 22.7824 30.5976 5.37518 0.0013342 -0.00571166 0.000475683 29
8522 66 C 21.5995 30.0411 4.51756 -0.00172383 -0.00143438 0.00207743 29
8523 67 C 21.8638 30.3115 3.01644 -0.00492977 -0.000823807 -0.00313591 29
8524 68 C 20.6744 29.8462 2.16484 0.00124741 0.00110433 0.00159857 29
8525 69 F 17.4879 32.7845 22.7651 -0.000296318 0.00170252 0.00123743 29
8526 70 C 21.065 27.1451 15.5674 0.00346343 -0.000653886 -0.00577522 29
8527 71 C 21.6771 27.1331 14.2004 -0.000812023 0.00360031 -0.00261145 29
8528 72 C 21.9884 25.7078 13.787 -0.000310963 -0.000342644 0.00113107 29
8529 73 C 22.5711 25.5568 12.3534 -0.000880777 0.00405766 0.00208164 29
8530 74 C 21.8154 26.1877 11.1331 -0.00419699 -0.00145632 0.00154669 29
8531 75 C 22.3449 25.6548 9.7723 0.00036309 -0.00179652 -0.000313483 29
8532 76 C 21.7505 26.3014 8.50792 -0.00194651 -0.0021675 0.00281062 29
8533 77 C 22.2453 25.6028 7.20171 0.000843287 -0.000491175 0.0022414 29
8534 78 C 21.8413 26.3018 5.86834 0.00295968 0.0012715 -0.00491971 29
8535 79 C 22.4219 25.6242 4.58178 0.00098542 0.00295682 0.000167784 29
8536 80 C 22.4219 26.5369 3.34343 -3.18625e-05 -0.00126776 -0.000524 29
8537 81 C 23.2228 26.0333 2.17485 0.00492757 -0.000793639 0.000433293 29
8538 82 C 18.9911 32.1604 14.8217 0.000199219 -0.000816531 0.00560023 29
8539 83 C 19.3679 31.8236 13.3515 -0.00226803 0.000349995 -0.00362394 29
8540 84 C 18.9482 32.844 12.2789 -0.00128063 -0.000519475 0.000816284 29
8541 85 C 18.6331 32.1082 10.9265 0.00177888 0.00103974 0.00112251 29
8542 86 C 18.5018 33.1102 9.76788 0.00258022 -0.000557092 -0.00338857 29
8543 87 C 18.2786 32.4282 8.37807 0.00285745 -0.00258668 0.0010201 29
8544 88 C 18.3132 33.507 7.25336 0.00107775 0.00507076 0.00298891 29
8545 89 C 18.7237 33.1622 5.78465 0.0025886 -0.00182017 -0.00359504 29
8546 90 C 17.7015 32.3692 4.91749 -0.00180027 -8.37782e-06 -0.00244016 29
8547 91 C 18.0745 32.5044 3.41815 0.000213631 -0.00176711 0.000476887 29
8548 92 C 17.2917 31.5822 2.50911 -0.0030861 0.000627912 -0.00121655 29
8549 93 C 15.9225 32.1999 2.06604 0.00231932 0.00127673 0.00092788 29
8550 94 C 11.3479 30.1384 33.6517 0.00115553 0.00545768 -0.000252446 29
8551 95 C 11.25 30.1622 35.1768 -1.09596e-06 0.00488765 0.000509641 29
8552 96 C 9.9367 30.796 35.6673 -0.00203209 0.00244583 0.000623887 29
8553 97 C 9.88049 31.3679 37.1005 -0.00427884 -0.00191008 -0.000542357 29
8554 98 C 10.013 30.3827 38.2851 0.00172415 -0.000453803 -0.00166674 29
8555 99 C 10.2649 31.1648 39.6411 0.00212875 0.00431479 -0.000628005 29
8556 100 C 10.348 30.3094 40.9109 0.00326795 0.000143417 -0.00220673 29
8557 101 C 10.4454 31.1527 42.1884 -0.000707134 -0.00165825 0.00202676 29
8558 102 C 10.5852 30.3575 43.4981 0.00066812 4.10264e-05 -0.00360245 29
8559 103 C 10.4518 31.3346 44.6899 0.000538969 -0.00082996 0.00550617 29
8560 104 C 10.626 30.7023 46.0899 -0.00349276 -0.00201421 -0.00142113 29
8561 105 C 10.124 31.6847 47.1988 -0.000223773 -0.00223044 0.000282691 29
8562 106 C 17.2664 34.1428 33.9475 0.0019089 -0.00182071 0.00240135 29
8563 107 C 17.2323 34.0794 35.487 0.0038877 -0.000411249 -0.00226637 29
8564 108 C 17.9701 35.205 36.172 -0.000720313 -0.000962454 0.000138542 29
8565 109 C 17.5211 35.355 37.6258 0.00372895 0.00171926 0.00330416 29
8566 110 C 18.6359 35.9521 38.5111 -0.000869367 0.00136337 0.000586823 29
8567 111 C 18.1802 36.3698 39.9253 -0.000554405 -0.00202528 -0.00552411 29
8568 112 C 17.9987 35.1529 40.8383 -0.000788135 -0.00351531 -0.00038394 29
8569 113 C 17.8773 35.64 42.2955 -0.00078867 -0.00160572 0.00308935 29
8570 114 C 17.9325 34.4776 43.303 0.000604266 0.00371194 -0.00096482 29
8571 115 C 17.9821 35.0169 44.7496 0.000215058 0.00190433 0.00162026 29
8572 116 C 18.2916 33.9046 45.76 0.00239779 -0.00189257 0.000485315 29
8573 117 C 18.2257 34.4512 47.1758 -0.000451551 -0.00029665 0.00473461 29
8574 118 C 17.0326 26.6376 34.2491 -0.00359765 -0.00215652 -0.00320164 29
8575 119 C 17.0112 26.7296 35.789 -0.00161867 0.0014066 0.000483985 29
8576 120 C 17.7274 25.5797 36.5344 2.79802e-05 0.00196699 -1.21232e-05 29
8577 121 C 17.66 25.5075 38.0643 -0.00060288 -0.00536494 -0.000765795 29
8578 122 C 17.7327 26.8829 38.8584 0.00161927 0.00476107 -0.00289786 29
8579 123 C 17.3646 26.8151 40.3562 -0.00130349 -0.000652661 0.000658974 29
8580 124 C 18.273 25.873 41.1826 0.000245361 -0.00406799 -0.000761693 29
8581 125 C 18.5614 26.2907 42.6675 -0.00321962 -0.00499855 -0.00462824 29
8582 126 C 17.6334 25.7756 43.7959 0.00278073 0.00419951 0.000520108 29
8583 127 C 18.3125 25.9935 45.1796 0.00337355 0.000889501 0.00137014 29
8584 128 C 17.4726 25.4458 46.352 -0.00129798 0.00326523 -0.00186635 29
8585 129 C 16.2937 26.3714 46.7647 -0.00646328 -0.000706146 -0.00146775 29
8586 130 F 15.8994 32.4063 24.9286 0.00187287 0.00139888 0.00519752 29
8587 131 H 17.5912 34.7532 31.6163 0.00209827 0.00394319 -0.00455291 29
8588 132 H 17.8467 34.4971 29.2216 0.00997969 -0.0111819 -0.00554064 29
8589 133 H 17.0668 32.4942 28.1063 -0.0039175 -0.0220153 -0.00261407 29
8590 134 H 10.7803 30.4918 31.1954 0.00418142 0.00940357 0.00940814 29
8591 135 H 11.1152 30.3032 28.8198 0.00504041 -0.00124564 -0.00499279 29
8592 136 H 13.3823 30.2146 27.8564 -0.0062877 0.0127683 0.0052738 29
8593 137 H 17.666 26.0012 31.9554 0.0103031 -0.00207221 -0.00379214 29
8594 138 H 17.8917 26.0472 29.5662 -8.01029e-05 -0.00453386 -0.00258401 29
8595 139 H 17.0424 27.884 28.2924 0.00389312 0.00946437 0.00124742 29
8596 140 H 20.2131 29.4801 24.3284 0.00425401 0.0079738 -0.018166 29
8597 141 H 18.6108 28.9333 26.1833 0.0206359 0.00332183 -0.00696603 29
8598 142 H 18.6564 26.8695 19.7202 0.00910376 -0.0107702 -0.00720159 29
8599 143 H 19.3488 26.6413 17.4067 -0.00330441 -0.0073378 -0.00529189 29
8600 144 H 19.1701 28.9455 20.9415 0.0106772 0.0145796 0.00140135 29
8601 145 H 25.4577 30.7153 20.46 -0.00588734 0.006741 0.011355 29
8602 146 H 25.7514 30.7355 17.9239 0.00494814 0.00190447 0.000634663 29
8603 147 H 23.1586 30.9643 21.3915 -0.00231833 0.0044054 0.000770655 29
8604 148 H 18.185 35.0608 19.1196 -0.0108041 -0.00439422 -0.00724436 29
8605 149 H 18.5165 34.8348 16.62 -0.00167091 -0.0077278 -0.0029606 29
8606 150 H 21.2232 31.0261 16.1524 0.0104786 0.00256926 0.000366024 29
8607 151 H 19.1774 33.4458 20.687 0.00977721 0.0037348 -0.00123849 29
8608 152 H 15.5256 30.3428 33.0826 -0.00599893 0.00492576 -0.0012175 29
8609 153 H 24.2052 29.4487 14.8754 0.00756691 0.00137418 0.0137575 29
8610 154 H 22.5831 29.632 15.5479 -0.00570685 0.00540989 -0.00800256 29
8611 155 H 24.051 31.4256 13.551 0.0117123 -0.0117451 0.00948047 29
8612 156 H 22.4288 31.8206 14.1177 0.000612419 -0.0023077 0.00603147 29
8613 157 H 21.5506 29.7422 13.0431 -0.000887194 -0.013675 -0.00907424 29
8614 158 H 23.1441 29.2025 12.6014 -0.00339969 -0.0036591 0.00206315 29
8615 159 H 23.4145 31.3517 11.2228 0.00395629 -0.00226 -0.00105482 29
8616 160 H 21.7202 31.6672 11.5658 0.00934932 0.00678651 -0.00836784 29
8617 161 H 21.1117 29.4705 10.3639 -0.00428313 0.00646069 -0.0158517 29
8618 162 H 22.8684 29.3543 9.951 -0.00117773 -0.00125071 -0.00475652 29
8619 163 H 22.7373 31.6638 9.00269 -0.00143372 0.00889067 0.0187212 29
8620 164 H 21.0295 31.6316 9.30026 0.00435276 0.00378951 -0.00404097 29
8621 165 H 21.0317 31.1391 7.10084 0.0088289 -0.00226925 -0.0101893 29
8622 166 H 20.9478 29.5276 7.80414 0.00699469 -0.00101881 0.0169407 29
8623 167 H 23.0578 29.0044 6.87021 -0.00130476 -0.00470607 -0.00114629 29
8624 168 H 23.6782 30.5692 7.36739 0.000723888 -0.000343726 -0.00861163 29
8625 169 H 23.7224 30.3202 4.88236 0.00548535 0.0108303 -0.00091256 29
8626 170 H 22.7112 31.6923 5.36844 -0.000996861 -0.00584853 0.00280408 29
8627 171 H 20.6782 30.572 4.78757 -0.00302678 0.00175897 -0.00860283 29
8628 172 H 21.469 28.9691 4.71032 0.00686931 -0.00192963 0.00519221 29
8629 173 H 22.8066 29.8861 2.65109 -0.00920866 -0.00803262 -0.00573714 29
8630 174 H 22.0562 31.3856 2.90425 0.0127488 -0.00318742 0.00417835 29
8631 175 H 19.7009 30.2346 2.48864 0.00143194 0.0109241 -0.0096191 29
8632 176 H 20.5579 28.756 2.12936 -0.0056829 0.00159932 0.0091087 29
8633 177 H 20.8473 30.1894 1.13735 -0.00147359 -0.00738961 -0.00169217 29
8634 178 H 21.8415 26.946 16.3163 -0.00594131 0.0100865 0.00685592 29
8635 179 H 20.2981 26.361 15.55 0.00542965 -0.00280663 0.00599099 29
8636 180 H 20.9715 27.596 13.4995 0.00351385 0.00874741 -0.00357852 29
8637 181 H 22.5445 27.8046 14.2089 0.00788562 -0.00784437 0.0102027 29
8638 182 H 22.7425 25.2533 14.4414 -0.00085614 0.0104594 0.00923201 29
8639 183 H 21.0664 25.1187 13.8656 0.000535841 -0.0014462 0.00276071 29
8640 184 H 23.6145 25.885 12.2697 -0.00225932 0.00910436 0.00467491 29
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8645 189 H 22.1417 24.577 9.75132 0.000464817 -0.00156219 -0.0127029 29
8646 190 H 20.662 26.1842 8.57784 -0.0030811 -0.00028982 -0.011922 29
8647 191 H 22.0181 27.3652 8.51327 0.00644004 -0.00422335 -0.00784823 29
8648 192 H 23.3407 25.5789 7.25505 0.00111578 -0.00629426 -0.0061006 29
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8650 194 H 20.747 26.3446 5.80495 0.00287612 -0.00408257 -0.0071895 29
8651 195 H 22.2819 27.3062 5.88765 0.00560265 -0.000163386 0.00917464 29
8652 196 H 23.4571 25.3505 4.82034 -0.00279626 -0.00279758 0.01002 29
8653 197 H 21.8806 24.6977 4.35384 -0.000650315 0.00155262 0.00976542 29
8654 198 H 21.3883 26.6904 3.00958 -0.00114728 -0.0203272 -0.00587313 29
8655 199 H 22.8557 27.5024 3.63149 0.00270827 -0.00515494 0.00841049 29
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8657 201 H 24.2332 25.7528 2.49695 0.00459382 -0.00615687 -0.00320648 29
8658 202 H 22.7071 25.1927 1.69432 -0.00173728 -0.00150242 0.00882539 29
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8660 204 H 17.9983 32.6268 14.8237 -0.00463921 -0.0109585 -0.0099767 29
8661 205 H 20.4536 31.6691 13.3239 -0.00204744 0.0012045 0.000128272 29
8662 206 H 18.9012 30.8533 13.1417 0.0141457 -0.0112837 0.0136695 29
8663 207 H 18.0713 33.4195 12.6001 0.00215217 0.00753103 -0.00422693 29
8664 208 H 19.7615 33.5655 12.133 0.00519633 -0.00572791 0.0111899 29
8665 209 H 19.4819 31.4438 10.7226 0.000326906 -0.00663887 0.0201207 29
8666 210 H 17.7108 31.5248 11.0375 0.00136816 0.00325733 0.00946414 29
8667 211 H 17.6979 33.8125 10.0205 0.0100383 0.0021502 0.0129172 29
8668 212 H 19.3841 33.7569 9.68582 -0.000577134 0.00435072 0.00132028 29
8669 213 H 19.027 31.6466 8.19826 0.00589895 -0.000717175 0.00554423 29
8670 214 H 17.2846 31.9681 8.43943 0.00443326 -0.00871626 -0.0200941 29
8671 215 H 17.3913 34.0982 7.31559 -0.000912974 0.00172744 0.00526811 29
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8673 217 H 18.8653 34.1382 5.30437 -0.00250271 0.00242919 0.00351265 29
8674 218 H 19.6889 32.6417 5.81763 0.0040653 0.00212276 0.0161431 29
8675 219 H 17.6419 31.3236 5.24398 -0.0146439 -0.000230934 -0.0054444 29
8676 220 H 16.6836 32.756 5.05068 -0.00515082 -0.006872 -0.00806283 29
8677 221 H 17.9547 33.5355 3.06329 0.00087625 -0.00165299 0.000585089 29
8678 222 H 19.1404 32.2649 3.31859 -0.00206107 -0.0123345 0.00155043 29
8679 223 H 17.8957 31.4487 1.60311 0.00371002 0.00178371 0.00314498 29
8680 224 H 17.1163 30.5935 2.95091 0.0141449 0.000853795 0.00607906 29
8681 225 H 15.1196 32.1762 2.81314 0.00700944 0.0109242 0.00626615 29
8682 226 H 16.0356 33.2539 1.7834 0.0058089 -0.000245406 -0.0033271 29
8683 227 H 15.5764 31.6506 1.18181 -0.00827941 0.00396485 0.00341476 29
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8685 229 H 10.9673 29.1742 33.2928 0.0177089 -0.00287462 0.00463221 29
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8687 231 H 12.0761 30.7332 35.6183 -0.000926647 0.0105003 -0.00502733 29
8688 232 H 9.69701 31.6125 34.975 -0.00455098 -0.00137781 -0.0030219 29
8689 233 H 9.1434 30.0543 35.5123 -0.00374977 0.00209417 0.0111673 29
8690 234 H 10.6496 32.1487 37.1476 -0.00191122 -0.00379968 -0.00770708 29
8691 235 H 8.93422 31.9173 37.1788 -0.000634846 0.00284035 0.0100311 29
8692 236 H 9.10493 29.7757 38.3868 -0.000999467 0.00355095 -0.0020841 29
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8694 238 H 11.2379 31.6614 39.5408 0.00441157 0.000662084 0.00332651 29
8695 239 H 9.46558 31.8985 39.8026 -0.00863815 -0.0100198 0.0114182 29
8696 240 H 9.46022 29.6738 41.0174 0.00526698 -0.00435294 -0.0124716 29
8697 241 H 11.2121 29.6381 40.8327 -0.00196151 -0.00781449 0.00831344 29
8698 242 H 11.3343 31.7856 42.0755 -0.00282708 0.000956026 2.32261e-05 29
8699 243 H 9.56293 31.7926 42.3117 0.00552113 0.00555525 0.00921798 29
8700 244 H 9.84763 29.548 43.5635 -0.00405589 0.00418988 -0.00564553 29
8701 245 H 11.5614 29.8576 43.5236 0.00180149 0.00216151 -0.00543968 29
8702 246 H 11.079 32.2254 44.5614 -0.00608989 0.00194602 -0.00777417 29
8703 247 H 9.45499 31.7926 44.6901 -0.00449079 -0.0118674 -0.0125942 29
8704 248 H 10.0519 29.769 46.141 -0.000623239 -0.00364281 0.00108059 29
8705 249 H 11.6731 30.4322 46.2744 -0.00163716 0.008054 0.00275684 29
8706 250 H 10.2218 31.2347 48.1945 -0.0150466 0.00730035 0.00604561 29
8707 251 H 10.7703 32.5697 47.1479 0.00975336 -0.00997926 -0.00855727 29
8708 252 H 9.06616 31.932 47.0466 0.000850815 0.00138213 -0.00128434 29
8709 253 H 18.3053 34.3102 33.6375 -0.00136491 0.0116352 -0.00132303 29
8710 254 H 16.6698 34.9938 33.5962 0.00209961 0.00319215 0.0142456 29
8711 255 H 16.1811 34.0996 35.8001 0.00580808 0.0109047 0.00343451 29
8712 256 H 17.7095 33.1556 35.8367 -0.00385393 -0.00555911 -0.00529866 29
8713 257 H 19.0412 34.9768 36.1077 0.000763441 0.0087501 -0.00973611 29
8714 258 H 17.8414 36.1374 35.6085 -0.00216956 -0.00475025 -0.00581087 29
8715 259 H 16.5978 35.9433 37.6944 -0.000530284 -0.00582649 0.0107352 29
8716 260 H 17.3449 34.348 38.0236 -0.00745571 0.00951191 0.0180137 29
8717 261 H 19.45 35.229 38.6443 0.00632033 0.0066152 -0.01487 29
8718 262 H 19.0643 36.8073 37.974 0.00147895 0.005282 0.00871756 29
8719 263 H 18.9285 37.0475 40.3545 -0.00303433 0.00639353 -0.0144717 29
8720 264 H 17.2481 36.9474 39.8969 -0.00351532 -0.00633248 0.0038539 29
8721 265 H 17.1198 34.5938 40.494 -0.00120802 -0.00121136 -0.0030661 29
8722 266 H 18.8548 34.4696 40.7776 0.0101387 0.0101279 0.000322937 29
8723 267 H 18.6705 36.3528 42.5527 -0.00101566 0.00308894 -0.00929418 29
8724 268 H 16.8927 36.1002 42.4439 0.00137403 0.00165401 0.00728051 29
8725 269 H 17.094 33.7816 43.1767 0.00273294 0.000584483 0.00209863 29
8726 270 H 18.812 33.8687 43.0603 0.00117863 0.00445054 -0.00073085 29
8727 271 H 18.7972 35.7511 44.7528 0.00617746 -0.00468782 -0.00119948 29
8728 272 H 17.0439 35.5387 44.9754 0.00257865 0.00645869 0.000925802 29
8729 273 H 17.5894 33.0839 45.5682 -0.00348119 0.00279636 0.00195872 29
8730 274 H 19.28 33.5099 45.4943 0.00521689 0.0139002 -0.0126059 29
8731 275 H 18.3223 33.6171 47.8817 0.0038194 -0.000734225 0.00362433 29
8732 276 H 18.9717 35.2406 47.3295 0.0112657 -0.010033 -0.00223913 29
8733 277 H 17.2344 34.8948 47.3305 0.000181603 0.00375381 -0.00279599 29
8734 278 H 16.3688 25.8178 33.948 0.00435043 -0.00979636 3.10958e-05 29
8735 279 H 18.0404 26.329 33.945 0.00172649 0.0118012 0.000345213 29
8736 280 H 15.9576 26.6863 36.0915 -0.00207702 0.0064543 -0.000407401 29
8737 281 H 17.4538 27.7023 36.0363 0.00130058 0.00116796 -0.00377309 29
8738 282 H 18.7849 25.6139 36.2448 0.00222833 -0.00631207 0.00708114 29
8739 283 H 17.3266 24.6345 36.148 -0.0207755 0.00504156 0.0140074 29
8740 284 H 18.4989 24.8749 38.3795 0.000215678 -0.00658156 -0.00538386 29
8741 285 H 16.7765 24.9261 38.3554 -0.0163265 0.019537 0.00116741 29
8742 286 H 16.9984 27.5943 38.4608 -0.014233 -0.00854147 0.00246005 29
8743 287 H 18.7473 27.2741 38.7136 -0.00133347 0.0129305 -0.00137524 29
8744 288 H 16.3141 26.5214 40.4733 -0.000995171 0.0051736 0.0179998 29
8745 289 H 17.4389 27.8461 40.7235 -0.00300516 -0.00038635 0.000257211 29
8746 290 H 19.2647 25.8846 40.7138 0.00621182 0.00130745 0.0119758 29
8747 291 H 17.9893 24.8179 41.0842 0.00115197 -0.00371517 -0.00722068 29
8748 292 H 18.5527 27.3813 42.7863 0.00230787 -0.00424813 -0.0113228 29
8749 293 H 19.542 25.8659 42.9153 0.00228394 0.012091 0.0026737 29
8750 294 H 17.5172 24.6933 43.6599 -0.00300354 0.00436948 0.00414769 29
8751 295 H 16.6433 26.238 43.6999 0.0020238 0.000219405 -0.0110265 29
8752 296 H 18.4967 27.0485 45.4172 -0.00247312 0.00254914 -0.00149352 29
8753 297 H 19.2938 25.508 45.2489 0.00264674 -0.00154405 -0.00553863 29
8754 298 H 18.1479 25.2668 47.1978 0.00369379 -0.00105681 -0.00675585 29
8755 299 H 17.0422 24.4717 46.0885 -0.00228448 0.00271358 0.00178259 29
8756 300 H 15.5953 25.862 47.4401 0.0068269 -0.00790482 0.00683884 29
8757 301 H 15.7379 26.7227 45.8866 0.00708436 0.0009287 -0.00939714 29
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8759 1 C 21.369 40.5124 31.5587 -0.00429647 -5.9475e-05 -0.00247594 30
8760 2 C 21.5013 40.448 30.1626 -0.00210918 0.00134091 -2.75246e-05 30
8761 3 C 20.9693 39.3792 29.4782 0.000160051 0.0011223 -0.00330919 30
8762 4 C 20.3371 38.3471 30.1697 -0.00740906 0.00243286 -0.0037329 30
8763 5 C 20.1569 38.4423 31.5444 0.00581553 0.000761357 0.00331502 30
8764 6 C 20.685 39.548 32.2671 -0.000132616 0.00326617 0.00173637 30
8765 7 C 15.7133 37.3695 30.763 -0.00146425 0.00544283 0.00127434 30
8766 8 C 15.9229 37.3667 29.3697 -0.000905813 0.00120727 -0.00548183 30
8767 9 C 17.2214 37.2116 28.9249 -0.00185034 -0.00189548 0.00194702 30
8768 10 C 18.3237 37.1343 29.8044 0.00330956 -0.000741553 0.000706739 30
8769 11 C 18.086 37.1861 31.2245 -0.00391243 0.00257694 0.00354225 30
8770 12 C 16.766 37.2878 31.7039 0.00262079 0.00176868 0.000642431 30
8771 13 C 21.4469 33.896 31.7101 -0.00117271 0.000229492 -0.00434638 30
8772 14 C 21.6532 33.9387 30.3297 0.000793008 -0.000457833 -4.35575e-05 30
8773 15 C 20.9759 34.8831 29.5552 0.000967402 0.00186827 -1.27339e-05 30
8774 16 C 20.3505 35.9294 30.2071 -0.000205082 -0.0021519 3.78994e-05 30
8775 17 C 19.7625 37.1334 29.4393 0.000323045 0.0017152 -0.00258247 30
8776 18 O 20.6364 34.7836 33.7868 0.00150076 0.00557516 -0.00075004 30
8777 19 O 16.4896 37.2828 33.0582 0.00459925 0.00221969 0.00198686 30
8778 20 O 20.5857 39.7098 33.6342 0.000226708 0.00293827 -7.10147e-05 30
8779 21 C 20.7179 34.8799 32.4018 0.000110264 -0.00044004 0.00221712 30
8780 22 C 20.0877 37.1484 28.0123 0.0002046 0.00238233 0.000708131 30
8781 23 C 20.5693 37.1913 26.8934 -0.0033163 -0.00126071 -0.00433031 30
8782 24 C 21.338 37.3151 25.7101 0.00108851 0.00145852 0.00319359 30
8783 25 C 21.0151 38.2461 24.6915 0.00398748 -0.00138065 -0.00130963 30
8784 26 C 21.8881 38.4349 23.6025 -0.00021514 0.000152298 0.00169867 30
8785 27 C 23.0597 37.6868 23.5194 -0.000784163 0.00043807 -0.00183877 30
8786 28 C 23.3076 36.7153 24.4953 0.00172076 0.00038805 -0.000258402 30
8787 29 C 22.5015 36.5312 25.5887 -0.0024598 -0.00243516 0.00735065 30
8788 30 C 23.892 37.7531 22.3363 -0.00255091 0.00238793 -0.00269284 30
8789 31 C 24.3765 37.8002 21.2344 0.00473904 -0.00186188 -0.00123804 30
8790 32 C 22.8617 34.4655 18.9553 0.000744416 0.00302903 -0.00346653 30
8791 33 C 22.9281 34.4867 17.5627 4.61995e-06 0.00192606 -0.00507267 30
8792 34 C 23.5707 35.5435 16.944 0.000812523 -0.000557733 -0.000274055 30
8793 35 C 24.0858 36.5929 17.7196 0.00440245 -0.00374718 -0.00334348 30
8794 36 C 23.9358 36.6362 19.1116 7.19979e-05 -0.00115123 0.000878187 30
8795 37 C 23.4363 35.4988 19.727 -0.000322394 -0.00323117 0.00069818 30
8796 38 C 24.6489 37.758 19.818 0.000633788 -0.00219477 -0.00466834 30
8797 39 C 28.5292 37.6122 19.5421 -0.000345296 0.00117868 0.000309598 30
8798 40 C 28.6066 37.5434 18.1262 0.0003412 -0.00371168 -0.00363209 30
8799 41 C 27.4465 37.5196 17.3563 -0.00023794 0.00163771 0.00215808 30
8800 42 C 26.2121 37.6377 17.9597 -0.000135897 -0.00153759 0.00119015 30
8801 43 C 26.0958 37.6631 19.3728 0.000726587 -0.00275573 -0.00367018 30
8802 44 C 27.262 37.6703 20.1704 -0.00190562 0.00421205 0.00225028 30
8803 45 C 22.9061 41.1264 18.9132 -0.00186914 -0.000530983 0.00194789 30
8804 46 C 23.0866 41.1022 17.4991 0.00451613 -0.00153543 0.000986353 30
8805 47 C 23.786 40.0529 16.8818 -0.000517538 0.00269831 -0.000439339 30
8806 48 C 24.2252 38.9744 17.6801 0.0013576 0.00104569 -0.00402505 30
8807 49 C 24.9078 37.7409 17.152 0.000434154 0.00158764 -0.0015564 30
8808 50 C 24.0718 38.974 19.0981 0.00307738 -0.000855149 0.00155384 30
8809 51 C 23.4048 40.0821 19.6915 2.34856e-05 -0.0032038 0.00068695 30
8810 52 O 27.5002 37.5627 16.0048 -0.000737326 -0.00137 9.71377e-05 30
8811 53 O 23.7559 35.6063 15.578 -0.00488223 -0.00120913 -0.000181748 30
8812 54 O 23.8291 40.0697 15.478 -0.000951886 -0.00307022 0.00157294 30
8813 55 C 19.3764 37.2095 32.0806 -0.0033259 -0.000857313 -0.00013935 30
8814 56 C 20.1939 35.9442 31.6023 0.00290996 0.000111924 0.00407689 30
8815 57 C 28.1398 36.4728 15.2952 -0.00608788 -0.000978413 -0.00116547 30
8816 58 C 27.2088 36.1787 14.0938 0.000568013 0.000687053 0.00283902 30
8817 59 C 27.2384 37.2275 12.959 0.000889904 -0.000211505 -0.00323266 30
8818 60 C 26.3956 36.8278 11.6969 0.00287158 0.00303995 -0.00134055 30
8819 61 C 26.5509 37.7302 10.4449 0.0018287 -0.00125295 0.0010862 30
8820 62 C 26.4166 36.9929 9.11441 0.000333007 -0.00102326 -0.00352473 30
8821 63 C 26.3236 37.9714 7.9309 -0.00525957 0.000462177 -0.00103349 30
8822 64 C 26.3727 37.1649 6.61378 0.00423299 -0.00207777 -0.00152138 30
8823 65 C 26.0571 37.9619 5.33472 0.00161704 0.00252518 -0.000646985 30
8824 66 C 25.8476 37.0215 4.11926 0.00153741 -0.0007535 -0.00451277 30
8825 67 C 25.5291 37.8199 2.82773 -0.00201269 0.00455882 -0.00285557 30
8826 68 C 24.8894 36.9511 1.74874 0.00125975 -0.00278059 0.00106699 30
8827 69 F 21.4777 39.2725 22.6403 0.000455753 0.000562435 -0.000845503 30
8828 70 C 23.2683 34.6001 14.6864 0.000945257 0.0012754 0.00318986 30
8829 71 C 23.626 35.0762 13.2721 -0.00230839 -0.00151313 0.00470667 30
8830 72 C 22.6149 34.6305 12.1809 -0.00239216 -0.00370704 0.0031812 30
8831 73 C 23.1686 34.8254 10.8017 -0.00227464 0.00113891 -0.00250251 30
8832 74 C 22.0733 34.4442 9.78056 -0.00424184 -0.00444911 0.00155558 30
8833 75 C 22.4611 34.2558 8.27758 0.000603267 0.00212831 -0.0022862 30
8834 76 C 22.6643 35.5481 7.54069 0.000764065 -0.0034504 -0.000198395 30
8835 77 C 23.0337 35.4538 6.04777 -0.0016517 -0.00172904 0.00317028 30
8836 78 C 21.9273 34.8704 5.21209 -0.00133802 -0.00322589 0.00169204 30
8837 79 C 21.9363 35.3487 3.749 0.00159403 0.00170989 -0.0032708 30
8838 80 C 20.9404 34.5403 2.86063 -0.000178251 -0.000968315 0.0015558 30
8839 81 C 21.0679 34.9824 1.42484 -0.00207854 0.00141676 -0.00201093 30
8840 82 C 25.0566 40.246 14.8011 0.00304587 0.00249916 0.00135848 30
8841 83 C 24.8021 40.2592 13.2923 0.00245478 0.00118309 0.000263957 30
8842 84 C 25.8788 40.8853 12.3442 -0.00194423 0.00137587 0.000659825 30
8843 85 C 25.2993 41.2652 10.9721 -0.000675927 -0.00306099 0.00299362 30
8844 86 C 26.3138 41.6313 9.88605 -0.00145167 0.000223174 0.00609656 30
8845 87 C 25.5974 42.4856 8.8112 0.00252767 -0.000972858 0.00666146 30
8846 88 C 26.2678 42.5472 7.37151 0.00245454 0.000680986 0.00180421 30
8847 89 C 26.0453 41.2503 6.55296 0.0033199 0.00241091 -0.0052409 30
8848 90 C 25.6865 41.515 5.04509 0.00236972 -0.00584316 0.00113607 30
8849 91 C 26.8055 42.1235 4.2451 0.00043454 -0.00175796 -2.99802e-05 30
8850 92 C 26.4746 42.5208 2.81755 0.00170381 0.00125278 -0.00188828 30
8851 93 C 26.0078 41.373 1.89012 -0.00215691 0.00249257 0.000750998 30
8852 94 C 15.1556 36.966 33.5624 -0.0017187 0.00208869 -0.00284449 30
8853 95 C 15.0377 37.0117 35.0973 -0.00201719 0.004467 0.00611618 30
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8856 98 C 14.036 37.5112 38.2205 0.000362482 -0.00564967 0.00104512 30
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8858 100 C 13.8544 37.9746 40.7196 -0.00368975 -0.000665971 0.000468327 30
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9062 2 C 25.7288 33.7002 29.9886 -0.00159175 0.00274399 -0.00189354 31
9063 3 C 25.1129 32.6837 29.2476 -0.00337792 -0.00172589 -0.000785026 31
9064 4 C 24.3014 31.7295 29.8908 0.00194457 -0.000714951 -0.00153732 31
9065 5 C 24.0432 31.8039 31.284 0.00160547 0.00373384 0.0018027 31
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9067 7 C 19.5236 30.5117 30.7001 0.00110282 0.00290412 0.00327637 31
9068 8 C 19.7137 30.5194 29.301 0.000723935 -0.000620427 -0.00266967 31
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9070 10 C 22.1188 30.6226 29.6893 -0.0048336 0.00207631 -0.00103916 31
9071 11 C 21.8969 30.6496 31.0995 -0.00289945 0.00385429 -0.00367317 31
9072 12 C 20.5814 30.532 31.6477 -0.000903122 0.00446158 0.00235098 31
9073 13 C 25.2261 27.3232 31.6483 0.00415487 0.00156676 -0.00219726 31
9074 14 C 25.4361 27.2673 30.2675 -0.000627016 -0.00142178 0.00258769 31
9075 15 C 24.8842 28.2637 29.4361 -0.000775752 0.00181291 -0.000931706 31
9076 16 C 24.1973 29.3261 30.0111 0.00466851 -0.00340223 0.000485001 31
9077 17 C 23.5997 30.5093 29.269 0.00118281 -0.000984283 0.000934584 31
9078 18 O 24.3082 28.3951 33.6329 -0.00311161 0.00227007 -0.00099126 31
9079 19 O 20.3469 30.4391 33.0084 -0.00228471 -0.00397167 0.00306271 31
9080 20 O 24.3708 33.0063 33.3446 -0.00213451 0.00393541 0.000998576 31
9081 21 C 24.5222 28.4098 32.2543 -0.000160595 -0.00270152 0.00380892 31
9082 22 C 23.9335 30.4706 27.8281 -0.000821561 0.00276708 8.85393e-05 31
9083 23 C 24.4559 30.5206 26.7425 -0.000531689 0.00316771 -0.000390366 31
9084 24 C 25.1902 30.6521 25.5514 0.00193343 0.00112346 -0.00385486 31
9085 25 C 25.1985 31.8657 24.8572 0.000715829 -0.00289895 0.00106541 31
9086 26 C 26.1159 32.041 23.8074 -0.00429543 -0.00088644 -0.00279179 31
9087 27 C 26.9716 30.9874 23.4334 -0.00380595 -0.00458485 0.00150101 31
9088 28 C 27.0049 29.8292 24.1939 6.70066e-05 0.000632424 0.00439164 31
9089 29 C 26.0958 29.639 25.2408 0.000855355 -0.00353771 -0.00134672 31
9090 30 C 27.7847 31.0561 22.2472 -0.00438684 0.000835244 0.000111925 31
9091 31 C 28.2531 30.9548 21.1466 -0.00224089 0.000543261 0.000518444 31
9092 32 C 27.4737 27.2187 19.2072 -0.00161933 -0.000988361 0.000868037 31
9093 33 C 27.8301 27.0796 17.8728 -0.00164828 8.22171e-05 0.00576821 31
9094 34 C 28.2665 28.1505 17.097 -0.000544156 0.00028857 0.0061824 31
9095 35 C 28.2953 29.4195 17.74 -0.00276476 0.000419288 0.000579056 31
9096 36 C 28.0196 29.5341 19.1136 0.000373925 0.000182623 -0.00328011 31
9097 37 C 27.5254 28.4357 19.8489 -0.00193966 0.00248102 -0.00185876 31
9098 38 C 28.5517 30.85 19.707 -0.00108655 -0.00275377 5.39152e-05 31
9099 39 C 32.4447 31.0529 19.5028 -0.000520198 0.00143494 -0.000571216 31
9100 40 C 32.547 31.1529 18.121 0.00331218 0.000869858 0.00301388 31
9101 41 C 31.4204 31.168 17.2737 0.000798611 -0.00168107 0.00219823 31
9102 42 C 30.1632 30.9298 17.8296 -0.00229884 0.00207499 -0.000308195 31
9103 43 C 30.0415 30.9062 19.2424 0.00547032 -0.00133947 0.000162827 31
9104 44 C 31.1729 30.9182 20.0916 -0.00635785 0.00204176 0.00101309 31
9105 45 C 26.6193 33.9972 18.5434 0.00194644 -6.1382e-05 0.000740865 31
9106 46 C 26.6922 33.8312 17.1427 -0.00115806 0.0018752 0.00104201 31
9107 47 C 27.3988 32.7429 16.6254 0.00638448 -0.00269798 -0.00123328 31
9108 48 C 28.0006 31.8459 17.5003 0.00528042 -0.000808069 0.0015341 31
9109 49 C 28.8696 30.6511 17.0707 -0.00181525 0.00301621 0.00133073 31
9110 50 C 27.8888 31.9737 18.8977 0.00526812 -0.00494336 -0.000623936 31
9111 51 C 27.1829 33.0624 19.4047 -0.00281416 0.00153369 0.000145155 31
9112 52 O 31.4954 31.6024 15.9621 -0.00290985 0.00321491 -0.00102066 31
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9114 54 O 27.6002 32.5043 15.2879 -0.000760728 -0.00181995 -0.0020805 31
9115 55 C 23.2158 30.6563 31.877 -0.000487544 -1.24024e-05 -0.00227836 31
9116 56 C 23.9617 29.3811 31.4117 -0.0024289 0.000688442 -0.00139673 31
9117 57 C 31.2888 30.7564 14.8298 -0.0026007 0.00415123 0.000881401 31
9118 58 C 30.5497 31.485 13.7432 -0.000282212 0.00107727 -0.00032209 31
9119 59 C 30.5606 31.0992 12.2251 -0.000337738 0.00180329 -0.000453482 31
9120 60 C 29.994 29.719 11.8504 -0.000405817 -0.00487298 0.00232501 31
9121 61 C 29.4714 29.6325 10.4046 0.000502238 0.00368593 -0.0034444 31
9122 62 C 30.305 30.1943 9.26521 0.00162732 0.0023697 0.000798238 31
9123 63 C 29.6391 29.9423 7.87122 0.00312522 -0.000590326 -0.00176974 31
9124 64 C 30.4364 30.4674 6.71545 -0.00211759 -0.00609355 -0.00835322 31
9125 65 C 29.7381 30.2324 5.36525 0.00124906 0.00502069 0.000375103 31
9126 66 C 30.6013 30.3725 4.10611 -0.00278348 -0.000348048 -0.00568214 31
9127 67 C 29.7816 30.2416 2.81231 0.000435425 0.00100159 -0.00236526 31
9128 68 C 30.6828 30.3978 1.57921 -0.00202804 -0.00320445 -0.000660269 31
9129 69 F 26.1351 33.237 23.1238 -0.0025142 0.000852459 0.00459137 31
9130 70 C 28.9812 26.6171 15.2711 0.00238448 -0.000711176 -0.00489483 31
9131 71 C 29.4852 26.6934 13.8032 -0.00297378 9.68455e-05 0.0013352 31
9132 72 C 30.2089 25.368 13.4 -0.00458909 0.000338923 -0.00146359 31
9133 73 C 30.1714 24.9937 11.9064 -0.00197767 -0.00134819 -0.00119129 31
9134 74 C 30.1509 26.0715 10.8011 0.00598089 0.000497809 -9.78262e-05 31
9135 75 C 30.2334 25.3799 9.4177 0.00314595 0.00296386 0.00518565 31
9136 76 C 30.12 26.3071 8.21156 0.000403454 -0.00219005 -0.00119362 31
9137 77 C 30.3119 25.5246 6.87485 -0.000961636 0.00244332 -0.000878853 31
9138 78 C 30.0801 26.4108 5.63874 -0.000513555 -0.00219653 -0.00280483 31
9139 79 C 30.4115 25.6234 4.3225 0.00201727 -0.00228348 0.00117078 31
9140 80 C 30.3738 26.5185 3.06453 -0.00301071 0.00449523 -0.004364 31
9141 81 C 30.9509 25.8548 1.81941 0.00139989 -0.00058072 0.0020372 31
9142 82 C 26.5733 32.5749 14.3198 0.00303644 -0.00174157 -0.00225576 31
9143 83 C 27.2174 32.2933 12.9515 -0.000114588 -0.0024559 -0.00526404 31
9144 84 C 26.3349 32.7286 11.7765 -0.000492725 0.00328466 -0.00515568 31
9145 85 C 26.8039 32.1753 10.4668 0.00188234 0.000744227 0.000312865 31
9146 86 C 26.0868 32.806 9.26745 0.000540126 0.000829179 -0.000569573 31
9147 87 C 26.797 32.4828 7.94597 -0.00106073 -0.00258316 0.00680913 31
9148 88 C 26.469 33.6085 6.94159 -0.00210364 0.00136859 0.00424905 31
9149 89 C 26.7207 33.2715 5.47372 0.000337896 0.00558478 -0.00294843 31
9150 90 C 25.6383 32.3224 4.93792 -0.00149898 0.00453823 0.00442038 31
9151 91 C 25.5961 32.1318 3.4376 -0.0025928 -0.00425455 0.00316751 31
9152 92 C 25.0395 33.3932 2.78571 0.00135704 -0.0025905 0.000398832 31
9153 93 C 24.8376 33.2905 1.26652 -0.00269354 -0.00097622 -2.21145e-05 31
9154 94 C 18.9799 30.5382 33.5161 0.00143635 0.00119796 0.0022401 31
9155 95 C 18.8996 30.5775 35.0544 0.000914308 0.00181239 -0.00235453 31
9156 96 C 17.4747 30.4996 35.6771 0.00018003 -0.00152389 0.00209871 31
9157 97 C 17.4313 30.1069 37.146 -0.00244359 0.000999496 0.000442952 31
9158 98 C 17.7764 31.1434 38.2615 0.000644687 0.00326174 -0.000992342 31
9159 99 C 17.7552 30.4467 39.6797 0.00332994 -0.000869518 0.00325926 31
9160 100 C 17.9512 31.2859 40.9643 0.000245638 -0.000948342 -0.00290755 31
9161 101 C 17.9311 30.3236 42.1779 0.000394818 -0.000483448 0.00122763 31
9162 102 C 18.0409 30.922 43.5711 0.000633803 -0.00135854 0.0027184 31
9163 103 C 18.1751 29.7618 44.6216 0.00225404 0.0012061 0.00466887 31
9164 104 C 18.3824 30.2009 46.074 0.0033 -0.000609032 0.000752521 31
9165 105 C 17.0745 30.5782 46.7775 0.00354515 0.00306131 0.00301086 31
9166 106 C 24.299 34.355 33.7985 -0.00307973 0.00242767 0.0024199 31
9167 107 C 25.4884 34.7252 34.7528 0.00455386 -0.00107562 0.00110357 31
9168 108 C 25.1696 34.31 36.2274 0.00452499 0.00177955 0.00418418 31
9169 109 C 25.9201 35.1422 37.2911 -0.00112586 -0.00282155 -0.00195206 31
9170 110 C 25.5795 34.7329 38.7508 -0.000112041 -0.00025547 -0.00212808 31
9171 111 C 26.1322 35.7469 39.7631 -0.00212722 0.00156504 -0.00349884 31
9172 112 C 25.5628 35.6006 41.1727 0.000755958 0.0032456 -0.000893327 31
9173 113 C 26.3077 34.4675 41.9539 0.000611023 0.0053329 -0.00247955 31
9174 114 C 25.8796 34.4041 43.4416 -0.00175987 -0.00385955 -0.000439745 31
9175 115 C 26.2252 35.6173 44.3275 -0.000505193 0.00420775 -0.00136462 31
9176 116 C 26.0574 35.2118 45.8112 0.00155272 0.000538128 -0.0031666 31
9177 117 C 26.3431 36.4052 46.7851 -0.00340083 -0.00177077 0.000919835 31
9178 118 C 24.0188 27.147 34.2534 0.00343085 0.000463533 -0.00456549 31
9179 119 C 25.1247 26.7141 35.2413 -0.000790898 0.00314101 -0.00168183 31
9180 120 C 24.6891 26.7126 36.7204 0.00290196 0.00316569 -0.00143459 31
9181 121 C 25.6642 26.1138 37.7684 -0.00272666 0.00192323 0.00387673 31
9182 122 C 25.0943 26.185 39.2183 -0.000487004 0.000132433 -0.000139383 31
9183 123 C 26.0139 25.7107 40.3913 0.0042226 -0.00405237 0.00042801 31
9184 124 C 25.2859 25.9542 41.7236 -0.000743236 0.000599 0.000587587 31
9185 125 C 26.2055 25.5781 42.9216 0.00275801 0.00131558 -0.00129528 31
9186 126 C 25.584 25.8573 44.3359 0.00149969 0.00267924 0.000303767 31
9187 127 C 26.531 25.4473 45.5214 -0.000637602 -0.00270388 -0.00616437 31
9188 128 C 25.9059 25.6163 46.8982 -0.00340636 0.00511073 -0.000216586 31
9189 129 C 25.917 27.0817 47.3538 0.000197351 -0.00403358 -0.00107815 31
9190 130 F 24.3238 32.8009 25.1681 -0.00157723 -0.000605839 0.00114883 31
9191 131 H 26.1021 34.4425 31.905 0.010996 -0.0058436 -0.00176903 31
9192 132 H 26.3584 34.4246 29.4803 -0.00105816 0.0110255 0.0106033 31
9193 133 H 25.2955 32.7033 28.1773 0.000373655 -0.00300053 -0.000168813 31
9194 134 H 18.4996 30.4121 31.0478 -0.00234554 -0.0069625 -0.00968649 31
9195 135 H 18.9043 30.5161 28.577 0.00112519 0.00119655 -0.00313158 31
9196 136 H 21.1329 30.5244 27.7245 -0.00308857 0.00141382 -0.00297946 31
9197 137 H 25.6144 26.5215 32.2695 -0.00712733 -0.000949365 0.00162488 31
9198 138 H 26.011 26.4429 29.856 0.0118695 0.00729548 0.00258651 31
9199 139 H 25.0817 28.2157 28.3692 0.0025285 -0.00628264 3.96614e-05 31
9200 140 H 27.7264 29.0351 24.0259 -0.0110471 -0.00669486 -0.00854583 31
9201 141 H 26.1658 28.707 25.7939 0.00130334 -0.0124124 -0.0162996 31
9202 142 H 27.0601 26.3609 19.7293 -0.00192279 0.000247046 0.00265584 31
9203 143 H 27.7077 26.107 17.4054 0.00567246 0.00587157 -0.00821314 31
9204 144 H 27.2661 28.4782 20.9026 0.00211903 -0.00946278 -0.000369997 31
9205 145 H 33.3528 31.0643 20.0983 -0.00469513 0.00351864 0.00574137 31
9206 146 H 33.5144 31.2401 17.6353 0.00280018 0.0215373 0.00573079 31
9207 147 H 31.0348 30.8978 21.1686 0.00882388 -0.00946559 0.00271519 31
9208 148 H 26.1569 34.9009 18.9293 0.0126368 0.00196969 0.00879125 31
9209 149 H 26.2489 34.576 16.4884 -0.0057259 -0.00789588 -0.00697775 31
9210 150 H 28.9832 30.5037 15.9896 -0.00301368 -0.00491673 0.00228263 31
9211 151 H 27.07 33.2043 20.4755 0.00906482 -0.0200291 0.0042597 31
9212 152 H 23.0996 30.7266 32.9656 0.0138102 0.00416152 -0.00101654 31
9213 153 H 32.2726 30.5299 14.4004 -0.00350568 -0.000284121 0.00115928 31
9214 154 H 30.7185 29.863 15.1127 0.00538147 -0.00140885 -0.000625603 31
9215 155 H 30.9131 32.5157 13.8381 0.0226253 -0.00693879 -0.000825443 31
9216 156 H 29.4994 31.4759 14.0597 -0.000365848 0.00375093 -0.000524647 31
9217 157 H 31.5764 31.1528 11.8142 0.00717856 -0.0185924 0.0154982 31
9218 158 H 29.9896 31.8626 11.6823 0.0011815 -0.00830634 -0.0162855 31
9219 159 H 29.1453 29.4385 12.4865 0.00470228 -0.0155721 0.00443397 31
9220 160 H 30.7473 28.9314 11.9758 0.00218978 -0.00118597 0.00980175 31
9221 161 H 28.4996 30.1415 10.4124 -0.00291744 -0.00282581 -0.00349554 31
9222 162 H 29.1901 28.6041 10.1463 -0.0114611 0.00248896 0.0143168 31
9223 163 H 31.3043 29.7435 9.30432 -0.00443262 -0.0120269 -0.0102491 31
9224 164 H 30.3999 31.2803 9.38745 0.000290646 0.00298596 -0.00361156 31
9225 165 H 28.6598 30.4336 7.92573 0.00318445 -0.00187565 0.0114183 31
9226 166 H 29.4302 28.8744 7.73214 -0.0280437 0.00628993 -0.00790626 31
9227 167 H 31.4355 30.0196 6.78447 -0.00385323 -0.00994717 -0.00829254 31
9228 168 H 30.6011 31.5486 6.80122 -0.00273565 -0.00628522 -0.00482006 31
9229 169 H 28.8537 30.8797 5.31697 -0.0066511 -0.00610947 -0.00440033 31
9230 170 H 29.3199 29.2208 5.29326 0.00889828 0.000379989 0.0218403 31
9231 171 H 31.4104 29.6324 4.13811 0.00524014 0.00895461 0.00714969 31
9232 172 H 31.1046 31.3461 4.05799 0.00250107 -0.00382121 -0.0212326 31
9233 173 H 28.9304 30.9303 2.74428 -0.00214707 -0.00248133 -0.0054069 31
9234 174 H 29.384 29.22 2.85121 0.00746083 -0.00166001 -0.00010298 31
9235 175 H 31.1127 31.4013 1.47204 0.0079322 -0.00672553 0.00615675 31
9236 176 H 30.1147 30.08 0.696217 0.000350711 0.00117555 -0.00375381 31
9237 177 H 31.5051 29.6938 1.75748 0.00117591 -0.00231684 -0.012101 31
9238 178 H 29.742 26.1293 15.8929 -0.00353898 -0.00297068 0.000561333 31
9239 179 H 28.0726 26.0045 15.2222 0.00426919 -0.00323017 -0.00842275 31
9240 180 H 28.6361 26.8579 13.1284 -0.00403834 0.0024289 0.00324116 31
9241 181 H 30.1186 27.5658 13.6002 0.00654277 -0.00781913 -0.00297834 31
9242 182 H 31.2584 25.3524 13.7188 -0.00908922 -0.00999873 0.0128286 31
9243 183 H 29.7659 24.4925 13.8906 -0.0172909 0.00663291 -0.00172475 31
9244 184 H 31.0641 24.3739 11.7569 -0.00678688 -0.0066911 -0.00768534 31
9245 185 H 29.3173 24.3269 11.7356 0.00275898 -0.0132415 0.0214719 31
9246 186 H 29.1914 26.6019 10.8378 0.000689579 -0.00800935 -0.0150551 31
9247 187 H 30.9641 26.8003 10.9067 0.00311127 0.00422448 -0.00368283 31
9248 188 H 31.19 24.8494 9.33468 -0.00365312 -0.00998425 0.0096414 31
9249 189 H 29.4431 24.6224 9.34811 0.000573178 0.00668294 -0.00605442 31
9250 190 H 29.1198 26.7568 8.18314 0.00742906 0.0134779 -0.000904644 31
9251 191 H 30.8127 27.1423 8.37271 0.00389974 -0.00659265 0.00663017 31
9252 192 H 31.324 25.1014 6.8836 0.000618201 0.00636362 0.00769931 31
9253 193 H 29.5806 24.7083 6.82837 -0.00321984 0.00365463 0.0133238 31
9254 194 H 29.0326 26.7364 5.63314 0.00132616 0.00399962 0.0126965 31
9255 195 H 30.6892 27.321 5.70231 -0.00631718 0.00218587 -0.0099412 31
9256 196 H 31.4173 25.1962 4.41846 0.000463945 -0.00878059 -0.011471 31
9257 197 H 29.7164 24.7912 4.15634 0.00190535 9.88744e-05 -0.0103816 31
9258 198 H 29.3538 26.8284 2.80606 -0.0074956 -0.00579702 0.00104237 31
9259 199 H 30.9586 27.4339 3.21754 0.00457593 -0.000677057 -0.00241213 31
9260 200 H 31.9297 25.3764 1.94755 -0.00388784 -0.00982458 0.00793801 31
9261 201 H 30.256 25.0578 1.52713 0.0104975 -0.00920169 0.00389364 31
9262 202 H 31.0421 26.6349 1.05361 0.0119491 0.00785277 0.0118549 31
9263 203 H 25.7905 31.8341 14.5243 0.000169158 0.00665389 0.0171297 31
9264 204 H 26.1312 33.5784 14.351 -0.00789052 -0.00637497 -0.00824028 31
9265 205 H 28.1806 32.8155 12.8972 -0.00414577 0.00663634 0.0104524 31
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9267 207 H 25.2762 32.4795 11.9195 0.00501057 -0.0234066 -0.011232 31
9268 208 H 26.3471 33.8252 11.8038 -0.00513924 0.00311321 0.00477105 31
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9270 210 H 26.6617 31.0886 10.4186 -0.00411801 0.00205843 -0.0118426 31
9271 211 H 25.0406 32.476 9.25448 0.00177363 -0.00284804 -0.0062305 31
9272 212 H 26.1069 33.8917 9.42317 0.000157619 0.00163161 -0.00613169 31
9273 213 H 27.8841 32.3691 8.03895 -0.00102339 -0.0105213 -0.00311281 31
9274 214 H 26.413 31.5575 7.49894 -0.000850727 -0.00176769 0.00492735 31
9275 215 H 25.4524 33.9575 7.16099 -0.00639618 -0.00444776 -0.00657017 31
9276 216 H 27.0845 34.4796 7.19783 -0.00354802 7.77962e-05 0.0120973 31
9277 217 H 26.7347 34.1551 4.82377 -0.00861885 0.000179758 -0.0105379 31
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9279 219 H 25.7851 31.344 5.41175 0.00133877 0.00568539 0.00591188 31
9280 220 H 24.635 32.6439 5.24369 -0.00409968 -0.00380614 0.00470453 31
9281 221 H 26.5945 31.9455 3.02287 0.00137168 -0.0145543 0.0173947 31
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9283 223 H 24.0683 33.5976 3.25311 0.003164 0.0116604 -0.00204436 31
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9285 225 H 24.1414 34.085 0.97061 0.000570158 -0.00115932 -0.00815248 31
9286 226 H 25.7898 33.4549 0.747082 -0.00192097 -0.0038858 0.000471701 31
9287 227 H 24.4442 32.3087 0.97572 -0.00673315 0.00464785 -0.0135291 31
9288 228 H 18.5642 31.5049 33.206 0.00851769 0.00153434 -0.00615852 31
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9290 230 H 19.4456 29.7112 35.448 0.014844 0.0039098 -0.0170631 31
9291 231 H 19.4195 31.4812 35.3957 -0.0107156 0.00328298 0.0114088 31
9292 232 H 16.8605 31.3635 35.3946 -0.00660295 -0.00266778 0.0134502 31
9293 233 H 17.0271 29.6773 35.1053 -0.00336965 0.00366602 -0.0025882 31
9294 234 H 16.3995 29.7683 37.3015 -0.00190832 -0.00331559 -0.00538232 31
9295 235 H 18.0679 29.2267 37.2986 -0.00373897 -0.000224945 -0.00120654 31
9296 236 H 18.7607 31.5932 38.0818 0.00219782 0.00329436 0.00757173 31
9297 237 H 17.0384 31.955 38.2568 -0.0142848 -0.0102144 0.0139672 31
9298 238 H 16.7511 30.0053 39.7007 0.00111917 0.0044448 0.00863434 31
9299 239 H 18.4145 29.5699 39.6857 -0.00320648 -0.00576365 0.00937666 31
9300 240 H 18.8557 31.9034 40.9016 -0.00265691 0.00342257 -0.00187689 31
9301 241 H 17.1255 32.0007 41.068 0.00641321 0.00419258 0.0108352 31
9302 242 H 16.9788 29.7819 42.1228 -0.00335448 0.00690111 -0.00686509 31
9303 243 H 18.7415 29.5994 42.0292 -0.0018625 -0.00427851 0.00744985 31
9304 244 H 18.9617 31.5169 43.6112 0.00560459 -0.00768198 -0.0172429 31
9305 245 H 17.1528 31.498 43.8589 0.00266623 0.00171806 0.0028087 31
9306 246 H 17.3297 29.0631 44.5976 0.00786068 -0.00560238 0.00479199 31
9307 247 H 18.9956 29.1168 44.284 0.00776966 0.00678575 0.00746587 31
9308 248 H 18.8649 29.3897 46.6332 -0.00979236 0.000813298 0.0141003 31
9309 249 H 19.068 31.056 46.1188 0.0124656 -0.00799937 0.00148409 31
9310 250 H 16.4504 31.2206 46.144 0.00980621 0.00459253 -0.00161087 31
9311 251 H 16.495 29.6787 47.0194 0.0118381 -0.00422042 -0.00418105 31
9312 252 H 17.3813 31.0815 47.7027 0.00362987 0.0109137 -0.00128879 31
9313 253 H 24.3219 35.0461 32.9469 -0.013053 0.0101498 0.00842416 31
9314 254 H 23.3473 34.5231 34.3177 -0.00124355 8.76843e-05 0.00655799 31
9315 255 H 26.4273 34.2215 34.4917 0.00617305 0.00658237 -0.0077245 31
9316 256 H 25.6834 35.8029 34.69 0.002224 -0.00128171 -0.00966598 31
9317 257 H 24.0955 34.3619 36.4443 0.00400367 0.00359171 0.00117078 31
9318 258 H 25.4855 33.264 36.3248 0.0122091 0.00508072 0.0148064 31
9319 259 H 26.991 35.0324 37.0799 -0.00104406 -0.00391425 -0.000967019 31
9320 260 H 25.703 36.2106 37.1696 -0.00186143 -0.00377488 -0.00895562 31
9321 261 H 24.4976 34.6239 38.8954 -0.00288997 0.0101477 -0.0152144 31
9322 262 H 25.9957 33.7278 38.8919 0.000540131 0.00169795 0.00969211 31
9323 263 H 27.2216 35.6207 39.7894 -0.00403116 -0.0121948 0.00994393 31
9324 264 H 25.9019 36.7523 39.3898 0.00607745 0.00182151 -0.00787277 31
9325 265 H 25.6793 36.5884 41.6355 0.000628173 0.000372217 0.00524416 31
9326 266 H 24.5101 35.2988 41.1087 0.00193356 -0.00421681 0.0146266 31
9327 267 H 26.1273 33.4856 41.4991 0.000429415 0.00186618 0.00505934 31
9328 268 H 27.3835 34.6811 41.9315 0.00429309 -0.0122351 0.00766893 31
9329 269 H 24.7863 34.3175 43.468 -0.00269095 0.0131205 0.0168641 31
9330 270 H 26.2716 33.4662 43.854 0.0117148 -0.00112758 -0.00705797 31
9331 271 H 27.2765 35.8682 44.1397 0.000679742 -0.0018696 -0.00291638 31
9332 272 H 25.5797 36.4681 44.0767 0.00405772 0.00840669 0.00113385 31
9333 273 H 25.0237 34.8645 45.9301 -0.00248726 0.0124299 -0.0034211 31
9334 274 H 26.7444 34.3975 46.0729 -0.00950367 -0.00919256 -0.00448853 31
9335 275 H 26.3445 36.0858 47.8346 -0.00964269 0.0194013 0.00735176 31
9336 276 H 27.3365 36.8108 46.5568 -0.00267588 -0.00469321 -0.00114515 31
9337 277 H 25.5553 37.1542 46.6374 0.00198285 0.00470466 0.00510869 31
9338 278 H 23.0631 27.2733 34.7768 0.00914827 0.0112452 0.00327243 31
9339 279 H 23.805 26.3321 33.5507 -0.00356547 0.00099577 -0.00306591 31
9340 280 H 25.9725 27.3888 35.0697 -0.00552564 0.00610034 -0.0134469 31
9341 281 H 25.4968 25.7139 34.9874 -0.00364974 0.000896827 0.00295502 31
9342 282 H 23.7408 26.1819 36.8705 0.00186982 0.00385642 -0.00558724 31
9343 283 H 24.5286 27.7597 37.0056 0.00147804 0.00122242 0.00489351 31
9344 284 H 26.5746 26.7247 37.7328 0.00947905 -0.0170604 -0.00950648 31
9345 285 H 25.8781 25.0662 37.5228 0.0168999 0.00683642 9.65995e-05 31
9346 286 H 24.1949 25.557 39.2283 -0.0122995 0.0170253 -0.00414406 31
9347 287 H 24.8168 27.2286 39.4114 0.00968401 0.00344505 -0.00342155 31
9348 288 H 26.9531 26.2763 40.3544 0.00444519 -0.00426738 0.00285781 31
9349 289 H 26.1812 24.6339 40.2649 0.00308364 -0.00374049 -0.00377591 31
9350 290 H 24.3879 25.3281 41.7936 0.000887089 -0.00426871 -0.0224086 31
9351 291 H 24.9365 26.9932 41.7653 0.0105092 0.00506296 -0.0162477 31
9352 292 H 27.1335 26.1579 42.8436 0.00480156 -0.00195364 -0.00131962 31
9353 293 H 26.5587 24.5414 42.859 0.00420343 0.0018994 -0.00284166 31
9354 294 H 24.7227 25.1806 44.3956 0.0063651 -0.00413825 -0.00620202 31
9355 295 H 25.2775 26.9015 44.4741 0.00698683 0.00481949 -0.00370961 31
9356 296 H 27.4529 26.0362 45.4398 0.00180668 -0.00453907 0.00838437 31
9357 297 H 26.8637 24.4054 45.4366 -0.0033873 -0.00441521 0.00413737 31
9358 298 H 26.4757 24.9869 47.5928 -0.012938 -0.0104668 -0.00647161 31
9359 299 H 24.8838 25.2185 46.9184 -0.00357649 0.00507576 -0.00973429 31
9360 300 H 26.9309 27.4759 47.2118 -0.000447527 -8.15877e-05 0.00545279 31
9361 301 H 25.5384 27.1193 48.3828 0.00719992 0.000353769 0.0013171 31
9362 302 H 25.2278 27.649 46.7162 -0.00218164 -0.0119185 -0.00553814 31
9363 1 C 29.2402 40.6602 31.3481 0.000474803 -0.00501034 0.00137717 32
9364 2 C 29.3734 40.6104 29.985 0.000602984 -0.00479749 0.00182457 32
9365 3 C 28.8118 39.5657 29.3049 0.000102165 0.000910213 -0.00146057 32
9366 4 C 28.1119 38.5522 29.9789 -0.00335629 -0.00429559 -0.00144335 32
9367 5 C 28.0306 38.5664 31.3907 -0.00181448 -0.000478869 -0.00395878 32
9368 6 C 28.6148 39.6431 32.0932 0.000231202 -0.00238368 0.0072475 32
9369 7 C 23.506 37.142 30.8608 -0.00236087 0.00272067 -0.000786503 32
9370 8 C 23.743 37.0339 29.4539 0.00403474 -0.0048581 0.00668851 32
9371 9 C 25.0204 37.093 28.9145 0.000475256 0.000136375 0.00360532 32
9372 10 C 26.0693 37.2191 29.7887 0.00307388 -0.000431835 0.00145423 32
9373 11 C 25.9024 37.2704 31.1993 0.00208951 -0.00240269 -0.00285916 32
9374 12 C 24.6008 37.232 31.7055 0.00154104 -0.00232314 -0.00369456 32
9375 13 C 29.3218 34.0387 31.4348 -0.0039134 -0.000537858 0.00166905 32
9376 14 C 29.4743 34.0796 30.0544 -0.00172038 0.00228986 0.00593345 32
9377 15 C 28.9011 35.1202 29.3517 0.000865304 -0.00463241 -0.0017105 32
9378 16 C 28.2162 36.1612 30.0175 -0.00376768 0.0035676 -0.000184978 32
9379 17 C 27.5407 37.3054 29.3132 -0.000805065 -0.00194232 -4.69405e-05 32
9380 18 O 28.6186 34.968 33.5471 -0.00363618 0.00384431 -0.00495737 32
9381 19 O 24.411 37.3565 33.0915 0.00266009 0.00286738 0.00227347 32
9382 20 O 28.6934 39.7466 33.5022 0.0012273 -0.000382828 0.000236095 32
9383 21 C 28.6731 35.0596 32.1611 0.000977882 -0.00202269 0.00346814 32
9384 22 C 27.8171 37.3126 27.8655 0.001857 -0.0010903 0.000772461 32
9385 23 C 28.2954 37.2888 26.7411 -0.000438119 0.00291967 -0.00357614 32
9386 24 C 29.0239 37.277 25.5313 -0.0019149 -0.00238737 0.000285958 32
9387 25 C 29.4747 38.5006 24.964 0.000902242 0.00200374 0.0047004 32
9388 26 C 30.3601 38.5038 23.8933 -0.000942369 -0.00160266 0.0021637 32
9389 27 C 30.7743 37.2585 23.3484 -0.00501985 -6.964e-06 0.00158281 32
9390 28 C 30.3301 36.0513 23.8732 0.00106274 -0.00736965 -0.00288692 32
9391 29 C 29.4369 36.0698 24.9673 0.00155864 -0.000816664 0.00383054 32
9392 30 C 31.5204 37.2728 22.1289 0.000593624 -0.000702917 0.00377666 32
9393 31 C 32.0394 37.3247 21.0441 -0.000973403 0.000656065 0.000184761 32
9394 32 C 30.3808 34.3178 18.253 0.00198536 0.00315238 -0.00198001 32
9395 33 C 30.5105 34.5497 16.85 -0.000529913 -0.000446919 -0.00266342 32
9396 34 C 31.2261 35.6869 16.407 -0.00120483 0.00488993 -0.000892881 32
9397 35 C 31.8774 36.4653 17.3667 -0.00197029 -0.0014158 -0.000419412 32
9398 36 C 31.7188 36.2775 18.7696 -0.00231961 -0.000238211 0.0011992 32
9399 37 C 30.9315 35.1991 19.2186 -0.00142795 -0.00380115 -0.00233028 32
9400 38 C 32.3147 37.4474 19.6105 0.000364483 -0.00171922 0.000897298 32
9401 39 C 36.1967 37.5534 19.5279 0.00109377 -0.000610798 -0.00233704 32
9402 40 C 36.3887 37.6559 18.1349 -0.00204183 0.00203302 0.000877274 32
9403 41 C 35.2982 37.6267 17.2811 -0.00119998 0.00304803 0.00363896 32
9404 42 C 34.0005 37.5752 17.8193 -0.00272049 0.00354731 0.000523168 32
9405 43 C 33.805 37.4904 19.2214 0.000917847 6.47285e-05 -0.00384104 32
9406 44 C 34.9028 37.5273 20.0949 -0.000206761 -0.00252374 0.0014191 32
9407 45 C 30.7683 40.9668 18.9164 -0.00167911 0.00280264 0.00081289 32
9408 46 C 30.8619 40.9372 17.5122 -0.005279 -0.00300393 0.00396429 32
9409 47 C 31.5007 39.9 16.8345 0.00207988 -0.00221501 0.00370095 32
9410 48 C 31.9808 38.8474 17.5953 0.00128548 -0.000666893 0.00156763 32
9411 49 C 32.7251 37.6693 16.9903 0.0033511 0.00138999 0.00216656 32
9412 50 C 31.7493 38.7359 18.9656 0.00139353 0.000738818 0.00198785 32
9413 51 C 31.167 39.8335 19.6338 -0.0029148 0.00462295 0.00494033 32
9414 52 O 35.538 37.5695 15.9213 0.000882468 0.000147866 -0.00359248 32
9415 53 O 31.3578 35.9794 15.0921 -0.000917501 -0.00083166 -0.00181991 32
9416 54 O 31.5124 39.883 15.474 0.000338175 -0.00206904 0.00100099 32
9417 55 C 27.2595 37.3366 31.9631 0.00292775 0.00225833 0.000112161 32
9418 56 C 28.1057 36.1402 31.4449 0.00179472 -0.00023416 0.00111918 32
9419 57 C 35.4202 36.2972 15.2941 0.00224469 -0.000633829 -0.00126557 32
9420 58 C 36.0369 36.2823 13.8954 0.00145929 -0.00308349 0.00072686 32
9421 59 C 35.1619 36.9452 12.7913 0.00173534 0.00411273 -0.00405244 32
9422 60 C 35.7024 36.556 11.4139 0.00401063 0.0022795 -0.000584964 32
9423 61 C 34.7855 37.0741 10.2739 -0.000107952 0.00353824 -0.00138235 32
9424 62 C 35.1981 36.5987 8.85262 0.00150765 0.000703523 7.99366e-05 32
9425 63 C 34.1535 37.0086 7.78022 -0.00201155 -0.00187794 -0.00280585 32
9426 64 C 34.6287 36.8741 6.28231 -0.00249478 -0.0016558 -0.000325634 32
9427 65 C 33.4406 36.6909 5.33424 -0.00187907 -0.00148799 0.00308537 32
9428 66 C 33.6676 37.1686 3.89277 -5.31568e-05 0.00159483 -0.00452461 32
9429 67 C 34.1061 36.0814 2.90724 -0.000261823 -0.00323049 -0.00264948 32
9430 68 C 34.3085 36.6868 1.52835 -0.00108208 -0.00102115 0.00208287 32
9431 69 F 30.7732 39.6635 23.3352 0.00144227 0.000895717 0.00192031 32
9432 70 C 31.1713 35.112 13.9949 0.00365487 -0.00465757 0.00429211 32
9433 71 C 31.1645 36.0322 12.7467 0.00237644 0.000390259 -0.0022137 32
9434 72 C 31.1693 35.2494 11.4373 0.00303439 -0.000771857 -0.000470526 32
9435 73 C 29.7413 35.0057 10.8111 -0.000718231 -0.000123365 -0.00130351 32
9436 74 C 29.8087 34.6159 9.32087 0.00283374 0.00200083 -0.00205798 32
9437 75 C 30.1445 35.8298 8.40042 0.00276093 -0.000459249 -0.0012234 32
9438 76 C 30.6141 35.4614 7.00613 0.00274525 0.000815055 0.00280909 32
9439 77 C 29.6971 34.4961 6.22615 0.0037074 -0.00621847 -0.000559523 32
9440 78 C 30.3933 33.8604 4.98696 0.00549261 0.00095724 0.00242198 32
9441 79 C 30.7262 34.8241 3.82187 -0.0027224 0.00295202 0.00471594 32
9442 80 C 29.5419 35.2183 2.96441 0.00258939 -0.000659827 -0.00174925 32
9443 81 C 28.9462 34.0491 2.17222 -0.00172379 0.00358637 -0.000318923 32
9444 82 C 32.4325 40.6458 14.7059 0.000919096 -0.00275232 0.00219769 32
9445 83 C 33.0711 39.666 13.745 0.00192143 0.000438257 0.00135586 32
9446 84 C 33.3007 40.2295 12.3432 -0.000843741 -0.00413215 -0.000523582 32
9447 85 C 34.413 41.3323 12.2174 0.00320382 3.00301e-05 -0.00266485 32
9448 86 C 34.4317 42.0836 10.9086 -0.00208466 0.00144684 0.000878652 32
9449 87 C 34.6654 41.1945 9.6673 0.000782331 -0.00111973 -0.000409398 32
9450 88 C 34.2982 41.9134 8.34727 0.00195797 0.00163654 -0.0034375 32
9451 89 C 34.4156 40.9471 7.13011 -0.00189881 -0.00177847 0.0052736 32
9452 90 C 34.1642 41.6474 5.77906 -0.00164873 -0.00173198 0.00267703 32
9453 91 C 34.102 40.6554 4.60544 0.00142705 -0.00102527 -0.000877915 32
9454 92 C 34.0438 41.3292 3.23809 0.0020114 0.00182432 0.000591536 32
9455 93 C 33.7884 40.2625 2.11304 -0.00136416 0.000422147 -0.00244494 32
9456 94 C 23.0792 37.4251 33.7002 -0.00583487 -0.00370907 0.00518579 32
9457 95 C 23.088 37.3528 35.2561 -0.00224243 0.00163844 -0.000228453 32
9458 96 C 21.7435 37.1728 35.997 -0.000654282 -0.00448845 0.001614 32
9459 97 C 21.9363 36.7636 37.5206 -0.000345537 -0.00241212 0.000697908 32
9460 98 C 21.9581 37.973 38.4647 0.000902714 0.00208668 -0.00114278 32
9461 99 C 22.5292 37.7037 39.8687 -0.00430738 -0.0042111 -0.00120718 32
9462 100 C 21.5559 37.2505 40.9558 0.000219853 0.00612091 -0.00120795 32
9463 101 C 22.308 37.0861 42.3 -0.000784851 -3.20186e-05 -0.000410832 32
9464 102 C 21.3934 36.9632 43.5657 -0.00987249 -0.00215202 0.00150976 32
9465 103 C 22.3382 36.8514 44.8134 -0.00227721 -0.00118316 -0.00218421 32
9466 104 C 21.6328 36.7983 46.1754 -0.000136351 0.000452969 -0.00381808 32
9467 105 C 22.6381 36.5401 47.2507 0.00127413 -0.00235111 -0.000683944 32
9468 106 C 29.047 41.0075 34.0927 0.00465293 -0.00151657 0.000224045 32
9469 107 C 28.8288 41.1729 35.5907 -6.63444e-05 -0.00102607 -0.00377829 32
9470 108 C 29.425 42.5042 36.1237 -0.000685853 -0.00149309 -0.000391354 32
9471 109 C 29.156 42.7702 37.5922 -0.00157708 -0.00270344 -0.0012614 32
9472 110 C 30.0437 41.9616 38.4823 0.000289542 0.00423157 -0.00152567 32
9473 111 C 29.549 41.8063 39.9355 -0.00273917 -0.00165859 -0.00228209 32
9474 112 C 29.5257 43.1128 40.7781 0.000732863 -0.0033274 -0.00105307 32
9475 113 C 29.2466 42.9629 42.2813 0.00110095 -0.00128271 0.00179379 32
9476 114 C 30.3713 42.2637 43.0789 -0.00315599 -0.00122212 0.0021662 32
9477 115 C 30.3294 42.5163 44.5927 -0.000352561 -0.000420339 0.0023049 32
9478 116 C 29.1626 41.7899 45.3425 0.000452746 -0.000170402 0.00123874 32
9479 117 C 29.3165 41.9582 46.8459 -0.00264426 -0.000625689 -0.00516741 32
9480 118 C 29.2261 33.8512 34.2221 0.00150979 -0.000661809 0.000732027 32
9481 119 C 28.9255 33.6774 35.6914 0.00133423 0.00248658 0.00249511 32
9482 120 C 29.7184 32.5319 36.301 -0.00406873 5.96561e-05 -0.00258125 32
9483 121 C 29.3723 32.1829 37.7751 0.00268463 0.00331826 0.00294786 32
9484 122 C 29.272 33.4421 38.6786 0.0012336 -0.000789439 -0.0030517 32
9485 123 C 29.1535 33.2066 40.2047 0.00257169 0.000125988 0.00236855 32
9486 124 C 30.409 32.702 40.9477 0.00025482 -0.000131086 -0.000696073 32
9487 125 C 30.4586 33.1103 42.4498 -0.00218805 -0.00552444 0.000404204 32
9488 126 C 29.3192 32.5029 43.275 -0.00103459 -0.00406471 0.00369956 32
9489 127 C 29.1512 33.1151 44.6717 -0.00461057 -0.000514802 -0.000641018 32
9490 128 C 30.4798 33.4052 45.4038 -0.00170809 0.00127824 0.00238315 32
9491 129 C 30.2199 33.8984 46.8373 0.000914871 0.00310343 -0.00449351 32
9492 130 F 29.0992 39.6774 25.5554 -4.623e-05 -0.0017797 -0.000302235 32
9493 131 H 29.7264 41.5071 31.8232 -0.00497935 -0.000926563 -0.000321402 32
9494 132 H 29.9196 41.3525 29.4103 -0.00240204 -0.00152139 0.00320658 32
9495 133 H 28.9341 39.5712 28.2258 -0.0227502 -0.00803459 -0.00409134 32
9496 134 H 22.4696 37.0613 31.1752 -0.00302801 0.0108874 -0.000928306 32
9497 135 H 22.8824 36.9776 28.794 0.00698294 -0.00038256 0.00246397 32
9498 136 H 25.1403 36.9807 27.841 0.0026586 0.00688464 0.0031534 32
9499 137 H 29.7274 33.1657 31.9375 0.00185303 -0.00446547 -0.00982478 32
9500 138 H 30.0191 33.3407 29.474 -0.00191016 0.00536413 0.00181999 32
9501 139 H 28.998 35.1355 28.2702 0.00634002 -0.00336785 -0.00119987 32
9502 140 H 30.7278 35.118 23.4858 0.00690803 -0.0102467 0.0100062 32
9503 141 H 29.2085 35.1212 25.4443 0.00679306 -0.00277829 0.00246019 32
9504 142 H 29.7061 33.5343 18.585 -0.00610292 0.00945222 -0.00348452 32
9505 143 H 29.9878 33.8833 16.1703 -0.00318302 -0.0035823 0.00243868 32
9506 144 H 30.7687 35.0371 20.28 -0.0102348 0.00252532 -0.00272192 32
9507 145 H 37.0732 37.5816 20.1684 0.00516439 -0.00753328 -0.00760517 32
9508 146 H 37.3839 37.7832 17.7191 -0.000284229 -0.00329599 0.00346264 32
9509 147 H 34.761 37.442 21.1682 -0.00625433 -0.0144062 -0.000309847 32
9510 148 H 30.3841 41.8347 19.4441 0.00353951 0.00341802 0.00361539 32
9511 149 H 30.4938 41.781 16.9361 -0.00144126 -0.00481593 -0.00114321 32
9512 150 H 32.9099 37.7389 15.9113 -0.0018317 0.00346486 0.00141362 32
9513 151 H 30.9538 39.8077 20.6984 -0.00671435 4.24128e-05 0.00407446 32
9514 152 H 27.1182 37.3702 33.0504 -0.00377318 0.00674232 -0.0008908 32
9515 153 H 35.9753 35.5724 15.9023 0.00724972 -0.00169416 -0.00709268 32
9516 154 H 34.3804 35.9725 15.164 -0.00293441 0.0164671 -0.00245282 32
9517 155 H 36.1343 35.2149 13.6616 -0.00487528 -0.0036599 0.000703623 32
9518 156 H 37.0675 36.6577 13.9097 0.00034698 -0.000299084 0.0073605 32
9519 157 H 35.1399 38.0335 12.9272 -0.015825 0.00258719 0.00529182 32
9520 158 H 34.1557 36.512 12.8482 0.0060206 -0.00574335 -0.0029033 32
9521 159 H 35.751 35.4748 11.2353 -0.0120001 0.00118718 0.00169253 32
9522 160 H 36.7206 36.9434 11.2848 0.0073381 -0.00400769 0.00683264 32
9523 161 H 34.7947 38.1692 10.3373 -0.000989859 0.00347654 -0.000177177 32
9524 162 H 33.7634 36.7099 10.4351 -0.00391451 0.0121216 -0.00616527 32
9525 163 H 35.3099 35.5091 8.79216 -0.00396376 0.000133391 0.000308218 32
9526 164 H 36.2041 36.9807 8.63971 0.00653766 -0.00730585 0.00936451 32
9527 165 H 33.9579 38.0725 7.96267 0.0124376 0.00113684 -0.00476429 32
9528 166 H 33.2159 36.4602 7.93331 -0.00449718 0.00869948 0.0197761 32
9529 167 H 35.3125 36.0234 6.17234 -0.00327083 -0.00151858 -0.0061746 32
9530 168 H 35.1616 37.7951 6.01526 0.0102104 -0.00475303 0.014354 32
9531 169 H 32.5968 37.3122 5.65878 0.00285825 0.00143477 0.00975244 32
9532 170 H 33.0811 35.6557 5.28487 0.00254979 -0.00248873 -0.00867022 32
9533 171 H 34.3771 38.0043 3.85139 -0.00581446 0.00712786 0.00863236 32
9534 172 H 32.7428 37.5895 3.4791 4.79864e-06 -0.000793199 -0.00709111 32
9535 173 H 33.3426 35.2998 2.80914 -0.00835673 0.00394547 0.00313531 32
9536 174 H 35.0677 35.6809 3.25112 -0.00320299 -0.00897565 -0.00114044 32
9537 175 H 35.1584 37.3804 1.52264 0.00490992 -0.00843027 -0.000986437 32
9538 176 H 33.4533 37.3185 1.25803 -0.00102357 -0.00684239 -0.0116673 32
9539 177 H 34.3698 35.8712 0.797368 0.00650497 0.00477109 -0.00372778 32
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9541 179 H 30.2174 34.5771 14.0799 -0.00468646 0.0075383 -0.0127288 32
9542 180 H 30.2825 36.6834 12.7847 0.0011772 -0.00126902 -0.00159036 32
9543 181 H 32.0185 36.7152 12.8344 0.00550412 -0.00513093 0.010556 32
9544 182 H 31.8025 35.7336 10.6836 0.00755196 -0.00503169 0.000577342 32
9545 183 H 31.7135 34.3108 11.5997 0.00205113 -0.00201732 -0.00438407 32
9546 184 H 29.2918 34.2043 11.4104 0.00578335 0.000120826 0.0039251 32
9547 185 H 29.0956 35.8836 10.9367 -0.00316755 -0.00134309 -0.00538911 32
9548 186 H 30.5737 33.8472 9.15594 0.0123887 0.0121033 -0.00497787 32
9549 187 H 28.8214 34.2386 9.02701 0.00225208 0.0104473 -0.0109899 32
9550 188 H 29.2313 36.434 8.33346 0.00928545 0.00842268 -0.00963553 32
9551 189 H 30.905 36.4529 8.88683 -0.013448 0.014022 0.0056027 32
9552 190 H 30.7761 36.3587 6.39614 0.00548105 -0.000779658 0.00118119 32
9553 191 H 31.5723 34.9283 7.03817 0.00947328 0.0122634 -0.00815935 32
9554 192 H 29.3563 33.6828 6.87863 -0.00616704 -0.00475712 -0.00387713 32
9555 193 H 28.7805 35.0183 5.92516 0.00130777 -0.00249113 0.0131853 32
9556 194 H 31.2902 33.3448 5.35176 -0.000932508 -0.00954544 0.00337444 32
9557 195 H 29.6655 33.1112 4.65195 0.00380399 0.00572757 -0.00458326 32
9558 196 H 31.229 35.7299 4.18257 -0.0103094 0.00341854 0.0140863 32
9559 197 H 31.4421 34.3419 3.14491 -0.00555685 -0.00428186 0.00688111 32
9560 198 H 28.7485 35.5937 3.62239 0.00927862 -0.0054301 0.00905109 32
9561 199 H 29.8806 36.0046 2.27843 0.0104047 -0.0164211 -0.0159645 32
9562 200 H 28.1034 34.4027 1.56558 -0.0115243 -0.00543007 0.0080446 32
9563 201 H 29.732 33.6616 1.51209 0.00665033 0.000548205 0.0114268 32
9564 202 H 28.5518 33.2888 2.85751 -0.000257643 0.00488707 0.00197325 32
9565 203 H 31.8372 41.3226 14.0807 0.00278183 -0.00557465 -0.00264486 32
9566 204 H 33.2494 41.1666 15.2204 0.00460345 0.00936554 -0.0158346 32
9567 205 H 34.0165 39.338 14.1944 0.00258494 0.00597476 0.00401089 32
9568 206 H 32.4149 38.7925 13.6467 0.00459024 -0.00102923 -0.0033944 32
9569 207 H 33.5164 39.388 11.6732 -0.00401183 -0.0015623 -0.00477321 32
9570 208 H 32.3618 40.6783 11.9963 -0.00546926 -0.0105779 0.00367606 32
9571 209 H 34.2792 42.0397 13.0451 0.00466392 -0.00405177 0.00107135 32
9572 210 H 35.3789 40.8441 12.3966 0.0113922 0.0157529 -0.00413549 32
9573 211 H 33.489 42.6319 10.7902 -0.00219143 -0.00109255 -0.0100819 32
9574 212 H 35.2095 42.8571 10.9207 0.000341947 -0.00122932 0.0146374 32
9575 213 H 35.7437 40.996 9.63372 0.000632231 -0.00267804 0.00411254 32
9576 214 H 34.0998 40.2551 9.69992 0.0122303 -0.00869211 -0.0196379 32
9577 215 H 33.3067 42.3754 8.4307 0.000203063 -0.00368157 0.0051972 32
9578 216 H 35.0147 42.737 8.23857 0.00132788 0.00087188 -0.0133173 32
9579 217 H 35.3543 40.3808 7.16892 -0.00470451 -0.00687672 -0.00123287 32
9580 218 H 33.6123 40.2035 7.20299 0.00231423 -0.00633097 0.00511528 32
9581 219 H 33.2462 42.2413 5.86774 0.0001113 0.00239046 -0.00687008 32
9582 220 H 34.9968 42.3434 5.61804 -0.00909311 0.00538271 -0.00500482 32
9583 221 H 34.9596 39.9716 4.62451 -0.000947797 -0.00376026 0.00764625 32
9584 222 H 33.1856 40.0648 4.72751 -0.00275964 0.00951141 0.0188092 32
9585 223 H 33.2151 42.046 3.18476 -0.0126473 -0.0149121 0.00297554 32
9586 224 H 34.9668 41.8583 2.97069 0.00460913 -0.00441897 -0.00283737 32
9587 225 H 34.6511 39.5903 2.02771 0.00994452 0.0123175 0.0179176 32
9588 226 H 32.8579 39.702 2.26547 -0.00801869 0.0131461 0.00378566 32
9589 227 H 33.7019 40.7964 1.15859 -0.0073753 -0.0130575 -0.00942166 32
9590 228 H 22.5977 38.3927 33.512 0.0135402 0.00578866 0.00437387 32
9591 229 H 22.5075 36.5443 33.3826 -0.0180957 0.00372149 0.00673304 32
9592 230 H 23.7984 36.6065 35.6326 -0.00487127 -0.00497011 -0.00840526 32
9593 231 H 23.4445 38.3216 35.6273 0.00663386 -0.000620553 -0.00287636 32
9594 232 H 21.0457 38.0113 35.8807 0.0122092 0.00570318 -0.00183286 32
9595 233 H 21.139 36.3994 35.5072 -0.0178511 0.00284332 0.0111888 32
9596 234 H 21.1592 36.0554 37.8336 0.00661978 -0.0111718 -0.00179598 32
9597 235 H 22.8566 36.1772 37.6329 0.00343975 0.00258972 -0.00425254 32
9598 236 H 22.5792 38.728 37.967 0.0118775 -0.00670613 -0.000746193 32
9599 237 H 20.9699 38.4491 38.4793 -0.000811524 -0.000848518 -0.0191419 32
9600 238 H 23.3716 37.0039 39.8066 0.00135398 0.00336316 -0.00966626 32
9601 239 H 22.8893 38.6833 40.2065 -0.00784453 -0.00421654 0.00259612 32
9602 240 H 20.8576 38.0838 41.1015 -0.0180426 -0.00911826 -0.00203797 32
9603 241 H 21.0757 36.3113 40.6546 0.0167509 -0.00519075 0.00763539 32
9604 242 H 22.9405 36.1912 42.2503 0.000461947 0.000223744 0.0108476 32
9605 243 H 22.9266 37.9829 42.4286 0.0123697 -0.00821102 -0.0068352 32
9606 244 H 20.7552 37.8476 43.6836 0.00202778 0.00684553 -0.00157158 32
9607 245 H 20.7565 36.0736 43.486 -0.000164568 -0.00809768 -0.00974734 32
9608 246 H 23.0354 36.0171 44.6677 -0.00357023 -0.00547702 0.0163808 32
9609 247 H 22.9698 37.7478 44.8462 0.00997702 -0.0102882 0.0107081 32
9610 248 H 21.13 37.7608 46.3308 0.00529168 0.000806535 0.0114448 32
9611 249 H 20.9308 35.9553 46.175 0.00437642 -0.00331946 0.00249732 32
9612 250 H 23.3002 37.3905 47.4552 0.0123459 -0.0127032 0.00662945 32
9613 251 H 22.1114 36.2001 48.1509 -0.000647472 0.00125984 -0.000445584 32
9614 252 H 23.3098 35.7387 46.919 0.00821285 0.00386274 -0.00168135 32
9615 253 H 30.1102 41.1729 33.8788 0.00883587 -0.00852845 0.0156313 32
9616 254 H 28.4776 41.7906 33.577 -0.000530779 -0.00523395 0.000304886 32
9617 255 H 27.761 41.2261 35.8364 0.00402899 -0.00133051 0.014132 32
9618 256 H 29.2684 40.3122 36.1097 -0.00153782 0.0010313 0.000872943 32
9619 257 H 30.4802 42.535 35.8252 -0.00284153 -0.00743384 -0.00873501 32
9620 258 H 29.0505 43.352 35.5367 -0.00245321 -0.000726617 0.0018451 32
9621 259 H 29.336 43.8251 37.8333 0.00286745 -0.005114 0.00600266 32
9622 260 H 28.1069 42.5635 37.837 -0.00423106 0.00711764 -0.00434955 32
9623 261 H 30.1345 40.9437 38.0832 -0.015045 0.00500805 -0.00697182 32
9624 262 H 31.0359 42.4284 38.5139 0.00746785 -0.0104239 -0.0110352 32
9625 263 H 28.5758 41.3 39.9299 0.00709927 -0.0207355 0.00875351 32
9626 264 H 30.2159 41.0864 40.4258 -0.00415565 -0.00208727 -0.000984713 32
9627 265 H 30.4986 43.6083 40.672 -0.00256633 0.00405896 0.00321732 32
9628 266 H 28.7477 43.7537 40.3451 -0.00140124 0.00143952 0.00985511 32
9629 267 H 29.0355 43.9579 42.6921 0.0020155 -0.00665494 0.0152614 32
9630 268 H 28.3538 42.3424 42.4271 -0.00338223 0.00213987 -0.0112099 32
9631 269 H 30.4128 41.188 42.8678 -0.00448677 0.00178399 -0.0134136 32
9632 270 H 31.3143 42.6771 42.7005 -0.00116817 0.00506254 0.0139972 32
9633 271 H 31.3139 42.2295 44.9825 0.00167223 0.00150973 -0.00137108 32
9634 272 H 30.2373 43.6018 44.7212 0.00673259 -0.000403248 0.00720117 32
9635 273 H 28.2006 42.1748 44.9822 0.00655526 0.00129041 -0.0135516 32
9636 274 H 29.1362 40.7312 45.0561 -0.015708 0.00531588 -0.0177049 32
9637 275 H 29.4796 43.001 47.1451 -0.0129017 -0.000900454 0.00131275 32
9638 276 H 28.4523 41.498 47.3406 -0.000720301 0.00436486 0.00280761 32
9639 277 H 30.2203 41.4479 47.201 -0.00297911 0.00234153 -3.6754e-05 32
9640 278 H 28.8852 32.914 33.765 0.00654265 -0.000129707 -0.00409278 32
9641 279 H 30.3029 34.031 34.1144 0.00127434 -0.0090414 -0.0154469 32
9642 280 H 27.8483 33.5209 35.827 0.00370848 -0.0133806 0.0027203 32
9643 281 H 29.0773 34.6357 36.2033 0.00255414 0.000442618 0.00595136 32
9644 282 H 30.783 32.7955 36.276 -0.00654884 0.0117464 0.0139253 32
9645 283 H 29.5397 31.6471 35.6775 0.000214956 -0.00112407 -0.00211445 32
9646 284 H 30.0943 31.4706 38.193 0.00522681 -0.00730353 -0.0195707 32
9647 285 H 28.4036 31.6733 37.8491 0.00617291 -0.00528478 -0.0109785 32
9648 286 H 28.3568 33.966 38.3764 0.00144239 0.00432908 0.00520697 32
9649 287 H 30.1051 34.1302 38.4893 -0.00292807 0.00614824 0.00381235 32
9650 288 H 28.2618 32.5998 40.4051 -0.00282148 0.00475598 -0.00752583 32
9651 289 H 29.0006 34.2226 40.5891 -0.0083014 0.00414472 -0.0125906 32
9652 290 H 31.3363 33.0486 40.4749 -0.000865293 -0.00874116 -0.00923299 32
9653 291 H 30.4383 31.6066 40.8971 -0.0242938 -0.000777949 -0.000602918 32
9654 292 H 30.4597 34.2042 42.5321 0.00766795 -0.00520276 -0.0037724 32
9655 293 H 31.4463 32.8401 42.8436 0.00219324 0.0123317 0.00174427 32
9656 294 H 29.5069 31.4292 43.399 0.0091711 -0.0022293 0.00407881 32
9657 295 H 28.378 32.5367 42.7125 0.00772773 0.00892197 -0.0101756 32
9658 296 H 28.4854 32.5202 45.3091 0.00318924 -0.00617698 0.0022046 32
9659 297 H 28.5985 34.0478 44.5038 0.000304709 0.00379229 0.00720909 32
9660 298 H 31.0719 34.1418 44.8467 0.000983801 0.00668636 0.0124122 32
9661 299 H 31.084 32.4896 45.3962 -0.00192988 0.00109316 0.00802327 32
9662 300 H 29.946 33.0511 47.4781 -0.00482207 0.0129532 0.00605359 32
9663 301 H 29.4143 34.6417 46.7948 -0.000621005 0.0021134 0.00775032 32
9664 302 H 31.1053 34.4382 47.195 -0.00360172 -0.00207026 0.0143686 32
9665 1 C 33.1395 34.0767 31.3174 -0.00321881 -0.00313146 -0.00210955 33
9666 2 C 33.3295 33.971 29.9615 -0.00076787 -0.00323766 -0.00173167 33
9667 3 C 32.8024 32.8945 29.2799 0.00111456 0.00232678 0.00199422 33
9668 4 C 32.1599 31.8342 29.97 0.00297156 7.30051e-05 0.00144202 33
9669 5 C 31.9969 31.8961 31.3878 -0.0049125 0.000310959 0.000836406 33
9670 6 C 32.4674 33.0732 32.0566 0.00287112 5.31554e-05 -0.00132805 33
9671 7 C 27.5567 30.4495 30.5778 0.000611171 -0.00264079 0.00517701 33
9672 8 C 27.7799 30.4211 29.2177 0.000669493 0.00312957 -0.00406514 33
9673 9 C 29.104 30.4849 28.7389 -0.000195367 -0.00294871 -0.00118913 33
9674 10 C 30.1428 30.5921 29.6843 0.00195035 -0.000175184 -0.00302818 33
9675 11 C 29.9318 30.584 31.0867 -0.000207929 -0.00124325 0.00227879 33
9676 12 C 28.5856 30.5361 31.5457 -0.00232289 0.00109959 0.000890496 33
9677 13 C 33.0418 27.1648 31.426 0.00484049 0.00111482 0.00420099 33
9678 14 C 33.305 27.2257 30.0398 0.00182285 -0.00714472 -0.00146946 33
9679 15 C 32.9529 28.3802 29.3444 -0.00118213 0.000991274 0.00134945 33
9680 16 C 32.2319 29.3996 29.9785 -0.00492426 -0.00262186 0.00306681 33
9681 17 C 31.5968 30.6045 29.2733 -0.00252496 0.00161979 -0.000363117 33
9682 18 O 32.3889 28.1671 33.4965 0.00571117 -0.00234912 -0.00396919 33
9683 19 O 28.2863 30.7063 32.9129 0.00326358 -0.0019085 0.00360243 33
9684 20 O 32.3686 33.1949 33.4902 0.000621377 0.00122089 0.00315634 33
9685 21 C 32.4294 28.223 32.1221 0.00149473 -0.00240228 -0.00254855 33
9686 22 C 31.8626 30.6241 27.8303 0.00396867 -0.00238808 -0.0038289 33
9687 23 C 32.392 30.605 26.7402 0.00235824 -0.0031976 0.00153018 33
9688 24 C 33.2628 30.6495 25.593 -0.00329911 -0.000839423 0.000432989 33
9689 25 C 33.6759 31.9271 25.0994 -0.00277724 0.00104132 9.956e-05 33
9690 26 C 34.5594 31.986 24.0089 0.0022639 0.00245922 -0.000801448 33
9691 27 C 35.0891 30.79 23.4809 0.00031335 0.00309063 0.00115213 33
9692 28 C 34.7366 29.5564 24.0392 0.00475432 -0.00277194 0.00347074 33
9693 29 C 33.8515 29.491 25.0868 0.00312054 0.0028666 0.00137033 33
9694 30 C 35.8137 30.8531 22.2557 -0.00171558 -0.00151735 -0.00252392 33
9695 31 C 36.197 30.8857 21.1323 -0.00136963 -0.00325982 -0.000154918 33
9696 32 C 34.6686 27.5281 18.9485 0.000879466 -0.00155434 0.00256476 33
9697 33 C 35.0331 27.4196 17.6107 -0.00389083 -0.00233593 -0.00262683 33
9698 34 C 35.6854 28.4318 16.9302 0.000249887 0.00228483 -0.000722106 33
9699 35 C 35.9808 29.6137 17.6286 0.00256995 -0.000878006 0.00182561 33
9700 36 C 35.7454 29.67 19.0255 -0.00205591 -0.00108611 -0.000815858 33
9701 37 C 35.0993 28.6193 19.6856 -0.00121897 -0.00198099 -0.000234317 33
9702 38 C 36.4024 30.8965 19.6884 -0.00117895 0.00207201 -0.00175049 33
9703 39 C 40.3034 30.9686 19.2756 -0.00054724 0.000969994 0.000387 33
9704 40 C 40.4029 31.0318 17.867 0.000447585 -0.000947919 4.24123e-05 33
9705 41 C 39.215 31.0522 17.126 -0.00250441 0.00461279 0.00146971 33
9706 42 C 37.9918 30.9394 17.7766 0.00110029 0.00324985 0.00402438 33
9707 43 C 37.8717 30.9258 19.1741 0.000981321 -0.00570315 -0.000772252 33
9708 44 C 39.0424 30.9383 19.926 0.00202522 0.00081853 0.00207624 33
9709 45 C 34.4293 34.1249 18.81 -0.00192551 -0.000795686 -0.0003103 33
9710 46 C 34.4633 34.0302 17.4101 -0.00058129 7.05476e-05 -0.000750907 33
9711 47 C 35.228 33.0557 16.8009 -0.000595223 5.04374e-05 0.000627241 33
9712 48 C 35.8771 32.0613 17.5433 0.00215172 9.16385e-05 -0.0012254 33
9713 49 C 36.6599 30.863 17.0597 -0.0014493 -0.0011906 -0.00134722 33
9714 50 C 35.7595 32.0959 18.9592 -0.00119389 0.00383479 -0.00358041 33
9715 51 C 35.0607 33.153 19.6108 -0.000461988 0.00103002 -0.00125317 33
9716 52 O 39.2153 31.2174 15.7421 0.00147052 -0.00104003 -0.002426 33
9717 53 O 36.1064 28.2695 15.6288 -0.00177144 -0.0051121 0.00296175 33
9718 54 O 35.3653 33.087 15.4228 -0.000274733 0.000378834 -0.00155736 33
9719 55 C 31.2353 30.616 31.9488 -0.00212527 -0.000678081 -0.00605091 33
9720 56 C 32.0015 29.374 31.3958 0.000381352 -0.000314912 0.000154088 33
9721 57 C 39.584 30.1275 14.8896 -0.0063268 -0.00180517 -0.00460331 33
9722 58 C 39.1516 30.4438 13.4262 -0.0022076 0.00815612 0.00174684 33
9723 59 C 37.6132 30.6496 13.3112 0.000290467 0.000260007 -0.00192692 33
9724 60 C 37.0231 30.6962 11.8472 0.000770162 0.00300701 -0.00360687 33
9725 61 C 37.8783 30.0957 10.6756 0.00204986 0.00074595 -0.00403056 33
9726 62 C 37.3092 30.5399 9.31235 -0.00611233 -0.000577254 0.00235882 33
9727 63 C 38.1991 30.0935 8.16111 0.000814836 -0.00141206 0.000743496 33
9728 64 C 37.6127 30.5094 6.77904 0.000309228 0.00104472 0.00158454 33
9729 65 C 38.5533 30.0442 5.63991 0.00280824 0.0031296 -0.00108378 33
9730 66 C 37.9954 30.4531 4.24917 -0.00020779 -0.0044141 0.000379227 33
9731 67 C 38.855 29.9616 3.06258 -0.00420791 -0.00199435 -4.9431e-05 33
9732 68 C 38.2611 30.3245 1.68267 -0.00544209 0.00238153 0.00159232 33
9733 69 F 34.9269 33.176 23.534 0.000814053 0.00131136 -5.3105e-05 33
9734 70 C 36.2943 26.9456 15.0824 -0.00611761 -0.00287198 -0.000345259 33
9735 71 C 36.9449 27.1195 13.6863 0.000898836 -0.00171194 -0.000284599 33
9736 72 C 37.4036 25.7668 13.0937 -0.0013076 0.00342916 0.000334684 33
9737 73 C 37.7445 25.855 11.5896 0.00346962 -0.000746261 0.00238713 33
9738 74 C 38.3733 24.5787 10.9692 0.00427914 -0.00445075 0.0031057 33
9739 75 C 39.1337 24.7739 9.64051 -0.00174613 0.000770332 -0.00463695 33
9740 76 C 38.297 24.8635 8.3555 -0.00225553 0.00185617 0.00455922 33
9741 77 C 37.9546 26.2535 7.9924 -0.00149483 0.00353928 0.00103602 33
9742 78 C 37.3948 26.4037 6.54993 -0.00146723 0.00574207 -0.000104759 33
9743 79 C 38.4224 26.1783 5.44593 -0.00732099 -0.000492754 0.00104647 33
9744 80 C 37.7869 26.2502 4.02078 0.00292544 0.00335936 0.00113809 33
9745 81 C 38.7747 25.9039 2.88771 0.00030908 0.00347789 0.00289192 33
9746 82 C 34.426 32.5027 14.5173 -0.000299179 0.00140798 -0.00472713 33
9747 83 C 34.6822 33.1226 13.112 -0.00414697 -0.00136481 0.00162465 33
9748 84 C 33.881 32.421 12.0452 -0.00323417 -0.00058036 0.00299147 33
9749 85 C 34.1461 33.0116 10.6377 -0.00130333 0.000786327 0.00102627 33
9750 86 C 33.3403 32.3314 9.54182 -0.00390382 0.00144325 0.00078466 33
9751 87 C 33.1948 33.1825 8.27135 -0.00173141 0.000860638 -0.00219615 33
9752 88 C 34.2975 32.9334 7.22824 -0.000593429 -0.00213521 -0.0025131 33
9753 89 C 33.998 31.7214 6.29916 0.00293031 0.00581929 0.00306123 33
9754 90 C 34.7469 31.7554 4.94253 0.00104918 0.00801437 -0.00318123 33
9755 91 C 34.2085 32.8453 3.98317 0.000232939 -0.00385594 -0.00408072 33
9756 92 C 33.7834 32.2867 2.67003 0.00275153 -0.00214553 -0.00127158 33
9757 93 C 34.9125 31.9276 1.72966 0.00215363 -0.00174315 -0.00269653 33
9758 94 C 26.927 30.4025 33.4567 -0.00133566 -0.000978938 -0.00126561 33
9759 95 C 26.8485 30.9311 34.8862 0.000338502 -0.000828427 0.00308897 33
9760 96 C 25.622 30.4487 35.736 0.00193095 0.00154969 0.00623369 33
9761 97 C 25.5358 31.0291 37.172 -0.00156626 0.00194317 0.000577739 33
9762 98 C 25.5315 30.0395 38.3543 -0.00119375 -0.00177848 0.000759204 33
9763 99 C 25.7856 30.7895 39.656 0.000120112 0.00280226 0.00158218 33
9764 100 C 25.6492 29.8628 40.8825 0.00117451 -0.00155005 0.00269743 33
9765 101 C 26.1595 30.4346 42.2212 0.00197556 -0.00293266 0.00110949 33
9766 102 C 25.9039 29.4423 43.3198 0.0075458 0.00375118 0.00285948 33
9767 103 C 26.5094 29.8089 44.6827 -0.000921957 0.00210199 0.000420378 33
9768 104 C 25.6327 30.7455 45.534 0.00203709 0.00215344 0.00246774 33
9769 105 C 26.1127 30.8196 46.9602 -0.000192827 0.00155032 0.00166628 33
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9772 108 C 33.7055 35.6237 36.1928 -0.00393585 0.0040435 1.14808e-05 33
9773 109 C 33.4408 36.1542 37.6552 -0.000302175 0.00313751 -0.000855939 33
9774 110 C 33.3407 35.0908 38.7743 -0.00190548 -0.0035104 0.00494074 33
9775 111 C 33.6419 35.8061 40.1208 0.00431309 -0.00381467 0.0015082 33
9776 112 C 33.2825 35.0388 41.3893 0.000262774 -0.000893259 -0.000495698 33
9777 113 C 34.0711 35.6014 42.5747 0.0020168 -0.000122482 -0.00505796 33
9778 114 C 33.4995 35.2375 44.015 -0.00602823 -0.00109591 -0.00256899 33
9779 115 C 34.3687 35.8901 45.1244 0.0026713 -0.000330143 0.00210511 33
9780 116 C 33.787 35.7826 46.6135 -0.00128806 -0.00130853 0.00545362 33
9781 117 C 33.8365 34.3478 47.1813 6.21769e-05 -0.000550356 8.61694e-05 33
9782 118 C 32.5358 26.9275 34.2355 -0.00327532 7.70734e-05 -0.00192804 33
9783 119 C 32.8286 27.3516 35.678 -0.000313373 0.00219136 -0.00047453 33
9784 120 C 33.0498 26.1635 36.6202 -0.0032011 0.00088064 0.00170485 33
9785 121 C 33.7665 26.5477 37.9327 0.00294427 1.21841e-06 0.00156028 33
9786 122 C 33.4265 25.6425 39.1281 0.00313873 -0.00232459 -0.00137114 33
9787 123 C 33.9726 26.1978 40.4349 -0.00066289 0.00145211 0.0014715 33
9788 124 C 33.5111 25.3294 41.5762 -0.00369218 0.000701811 -0.000244439 33
9789 125 C 33.9375 25.8728 42.9358 0.00120794 0.000542203 -0.00380464 33
9790 126 C 33.3701 25.0489 44.1235 -0.00285395 0.0061112 0.00154685 33
9791 127 C 33.9918 25.3873 45.4644 0.00130842 0.00165294 0.00390585 33
9792 128 C 33.529 26.6657 46.1638 0.00560525 0.00137122 0.000121108 33
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9814 150 H 36.7729 30.8269 15.9692 0.0162636 -0.00884304 0.000721867 33
9815 151 H 34.9862 33.2636 20.6886 -0.00308418 0.00186214 -0.00151725 33
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9830 166 H 39.2319 30.4388 8.29326 0.00260019 -0.00975778 0.00860822 33
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9833 169 H 38.6313 28.9571 5.76481 0.00508558 0.00396565 0.00485386 33
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9845 181 H 37.7601 27.8457 13.7939 0.0047192 -0.00668077 0.00427421 33
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9849 185 H 38.4655 26.668 11.4394 -0.00107824 0.00157347 -0.00690581 33
9850 186 H 39.0916 24.2625 11.7357 0.00456986 0.0127877 0.00999703 33
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9853 189 H 39.8098 23.9244 9.48334 0.00282976 0.00258072 0.00533348 33
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9857 193 H 38.885 26.8314 8.05359 -0.00566089 0.00987746 0.00448763 33
9858 194 H 36.5458 25.7159 6.45182 0.00414432 -0.00154752 0.00221937 33
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9860 196 H 39.268 26.8768 5.46736 -0.00986485 0.00297758 -0.0107291 33
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9863 199 H 37.3991 27.2614 3.84593 -0.00692133 0.000911561 0.0087633 33
9864 200 H 38.27 25.5845 1.96757 -0.0103163 0.016168 0.00432189 33
9865 201 H 39.3313 26.8294 2.69476 0.00255129 -0.00200671 -0.016764 33
9866 202 H 39.5121 25.1333 3.14436 0.00285136 0.00717888 0.00670089 33
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9870 206 H 35.7426 33.1727 12.8357 -0.00223276 -0.00397414 0.00853107 33
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9875 211 H 33.7183 31.3319 9.29386 0.0124239 0.00563063 0.00884304 33
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9877 213 H 32.2363 32.9474 7.79228 -0.00549244 0.000669024 0.00543315 33
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9879 215 H 34.4081 33.8131 6.58218 -0.0038451 0.00531042 0.0070979 33
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9883 219 H 35.7919 32.0009 5.16874 0.00430976 -0.00441451 -0.00479465 33
9884 220 H 34.7473 30.7451 4.51511 0.0102847 0.00940698 -0.00645994 33
9885 221 H 33.3741 33.368 4.46689 -0.00293927 0.00785975 -0.0222566 33
9886 222 H 34.9654 33.6171 3.79655 0.00890816 -0.00828209 0.0128991 33
9887 223 H 33.1094 31.4339 2.8178 -0.000743979 0.00381713 0.0170718 33
9888 224 H 33.1376 32.9583 2.09084 -0.00875079 0.0060768 0.0211941 33
9889 225 H 34.5421 31.3825 0.852705 0.00725409 -0.00890602 -0.000359943 33
9890 226 H 35.2745 32.836 1.23261 0.0145993 0.00634141 0.0212545 33
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9894 230 H 27.7171 30.5651 35.4476 0.00358535 0.00568826 0.00227669 33
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9897 233 H 25.6499 29.3559 35.8281 0.00334222 0.00120188 0.00167174 33
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9899 235 H 24.6105 31.6123 37.2567 -0.00413524 -0.00438248 0.0161432 33
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9904 240 H 24.5795 29.6687 41.0289 0.0026036 0.00576814 0.0228608 33
9905 241 H 26.1248 28.8934 40.6886 0.00147956 -0.000333167 -0.00261655 33
9906 242 H 27.2421 30.5684 42.1054 0.00217431 0.000842835 0.00744338 33
9907 243 H 25.6582 31.3751 42.4811 -0.00427467 -0.00595612 1.49242e-05 33
9908 244 H 24.828 29.2721 43.4493 0.0114761 -0.0138094 0.012698 33
9909 245 H 26.2168 28.4891 42.8761 0.00400517 0.00244624 0.00314633 33
9910 246 H 26.6691 28.8886 45.2578 0.00414165 0.00422928 0.00242058 33
9911 247 H 27.494 30.2647 44.521 0.00505486 -0.0111861 -0.000624668 33
9912 248 H 25.5953 31.7587 45.1152 0.0017233 6.26885e-05 -0.00256127 33
9913 249 H 24.5974 30.3846 45.5708 0.0050923 -0.0082926 -0.0143869 33
9914 250 H 27.1558 31.1528 47.0264 0.000657694 -0.00147905 0.00361168 33
9915 251 H 25.468 31.4985 47.5321 0.0131956 -0.00428051 0.0236993 33
9916 252 H 26.0957 29.8662 47.5026 0.0108462 -0.00212523 -0.00445675 33
9917 253 H 34.1828 34.0858 34.086 -0.0012743 0.0121563 0.000334287 33
9918 254 H 32.8795 35.2481 33.6892 0.00935745 0.00210001 -0.0054163 33
9919 255 H 31.7797 34.6864 35.8484 -0.0051217 0.001926 -0.00730542 33
9920 256 H 33.139 33.543 36.1977 0.0033047 0.00517377 0.0103411 33
9921 257 H 34.7696 35.3723 36.1033 -0.0065414 -0.00692141 -0.00015323 33
9922 258 H 33.528 36.4939 35.5488 -0.00260904 0.00716894 0.00386354 33
9923 259 H 34.1907 36.9237 37.8767 -0.00714623 0.0126524 -0.0106484 33
9924 260 H 32.5012 36.7194 37.6224 -0.00542757 -0.00540279 -0.00136575 33
9925 261 H 32.3398 34.644 38.7321 -0.0105548 0.0149257 0.0153666 33
9926 262 H 34.0376 34.2528 38.6498 -0.0117597 -0.0086409 -0.0156432 33
9927 263 H 34.714 36.0294 40.1849 0.00451974 -0.00640657 0.00723474 33
9928 264 H 33.0212 36.7105 40.1315 0.00837345 -0.00111293 0.00706748 33
9929 265 H 32.2073 35.1427 41.5804 0.00126042 -0.00316077 0.00637842 33
9930 266 H 33.476 33.9628 41.299 -0.00441495 -0.000676706 -0.0130616 33
9931 267 H 35.0937 35.2153 42.4809 0.00492256 0.00559025 0.00313082 33
9932 268 H 34.1774 36.6904 42.4959 0.00422529 -0.000606769 -0.00876753 33
9933 269 H 32.4832 35.6367 44.1216 -0.00900605 -0.00871038 -0.00249653 33
9934 270 H 33.4685 34.1546 44.1876 -0.00747404 4.39743e-05 0.00436261 33
9935 271 H 35.3381 35.3798 45.1818 -0.00422174 -0.0128716 0.00767819 33
9936 272 H 34.5785 36.9319 44.8523 0.0236495 -0.00677576 -0.00643899 33
9937 273 H 34.3703 36.4203 47.2892 0.0133211 0.00169848 -0.0099822 33
9938 274 H 32.761 36.1692 46.577 -0.00247851 -0.0042783 0.00768336 33
9939 275 H 33.2792 33.5999 46.6039 0.000134918 0.00737758 -0.0102254 33
9940 276 H 34.8431 33.995 47.4377 -0.00381249 -0.0178637 -0.00860042 33
9941 277 H 33.3594 34.4661 48.162 -0.00584756 -0.00723934 -0.00200078 33
9942 278 H 31.5754 26.3976 34.2507 0.00147467 -0.00836647 0.003464 33
9943 279 H 33.3344 26.2566 33.8953 0.00345332 0.011449 -0.00853249 33
9944 280 H 31.9813 27.9669 36.0051 0.00335622 0.00913152 -0.00405721 33
9945 281 H 33.7341 27.97 35.7098 0.00837792 -0.011 0.00901389 33
9946 282 H 33.6291 25.3725 36.1282 0.00165512 0.0050859 0.000675443 33
9947 283 H 32.0783 25.7163 36.8641 -0.0130228 0.0112661 -0.0184352 33
9948 284 H 33.5384 27.5849 38.2076 -0.00579781 -0.00446575 0.0111265 33
9949 285 H 34.8547 26.5592 37.7943 0.00322539 -0.00409402 0.00344693 33
9950 286 H 33.8509 24.6362 39.0249 -0.006427 -0.0056417 -0.00830678 33
9951 287 H 32.3411 25.4927 39.181 0.0020477 0.00595898 -0.000488474 33
9952 288 H 33.5872 27.2099 40.61 0.00651954 0.00515932 -0.00417722 33
9953 289 H 35.0677 26.2564 40.4623 -0.000384755 -0.00119625 -0.00440586 33
9954 290 H 33.9993 24.3534 41.4648 0.01006 0.00753617 -8.08877e-05 33
9955 291 H 32.4213 25.2091 41.5392 -0.00354515 0.00221009 -0.00957295 33
9956 292 H 33.6122 26.9118 43.0702 -0.0111439 -0.00397367 0.00126261 33
9957 293 H 35.0325 25.8524 42.9987 0.000840861 -0.00388801 0.00121871 33
9958 294 H 33.6375 24.0185 43.8588 -0.0155862 0.0022002 0.00400924 33
9959 295 H 32.2836 25.198 44.0953 -0.00313021 0.00532141 0.00878074 33
9960 296 H 35.0727 25.4853 45.3044 -0.00238764 0.0113348 -0.0151334 33
9961 297 H 33.8426 24.5157 46.1135 0.0015571 0.00602792 0.00982129 33
9962 298 H 32.5212 26.5608 46.5842 -0.00338288 0.0182201 -0.0170408 33
9963 299 H 33.4368 27.4518 45.4043 0.00409506 0.00442227 0.00346183 33
9964 300 H 34.1004 27.9691 47.7733 0.00769154 -0.00289022 0.00220759 33
9965 301 H 35.3974 27.6186 46.6443 0.0158687 -0.00668462 0.00890355 33
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9968 2 C 37.3931 40.5327 29.1104 -0.000666285 0.00312094 -0.00692177 34
9969 3 C 36.891 39.458 28.4425 -0.00308259 -0.00127658 -0.00175229 34
9970 4 C 36.2151 38.4052 29.1304 0.00129891 -0.00149103 -0.0015559 34
9971 5 C 36.0421 38.4951 30.5525 -0.000917402 -0.00739122 0.00255655 34
9972 6 C 36.4794 39.6535 31.2367 0.000652559 0.00232227 0.000222827 34
9973 7 C 31.5558 37.6913 29.7881 -0.00183921 -0.00332841 0.00375313 34
9974 8 C 31.7537 37.5891 28.3902 0.00193692 0.00185429 0.000591115 34
9975 9 C 33.0616 37.3869 27.9374 -0.000120808 0.00266455 0.00151725 34
9976 10 C 34.1083 37.2693 28.864 -0.00756114 0.00402745 -0.00123304 34
9977 11 C 33.9041 37.3713 30.2718 0.002629 0.00062281 -0.00137775 34
9978 12 C 32.5855 37.5618 30.7211 1.54235e-05 -0.00278389 -0.00168628 34
9979 13 C 37.1011 33.9545 30.7822 -0.00247567 -0.00367173 -0.00127786 34
9980 14 C 37.2417 33.8573 29.4211 -0.000742387 -0.000330806 0.00203428 34
9981 15 C 36.7273 34.8661 28.6216 -0.00210156 0.00517013 0.00224937 34
9982 16 C 36.0939 35.9537 29.2401 0.0015979 -0.00228194 0.00125201 34
9983 17 C 35.557 37.1828 28.4864 -0.000455105 0.00286295 0.00160076 34
9984 18 O 36.3345 34.8801 32.855 0.000970186 -0.000876238 -0.0018421 34
9985 19 O 32.3326 37.7006 32.0885 0.00462551 0.000515834 -0.00123472 34
9986 20 O 36.3386 39.7693 32.6077 -0.000231636 -0.00168357 0.000752944 34
9987 21 C 36.4003 34.9521 31.4555 -0.00190786 0.00033104 -0.00129191 34
9988 22 C 35.8847 37.0849 27.0647 0.00265341 0.0031849 0.00161112 34
9989 23 C 36.3705 37.0796 25.9456 0.00474797 -0.00319219 0.00410729 34
9990 24 C 37.165 37.076 24.758 0.00562892 -0.00158325 0.00161903 34
9991 25 C 38.2591 36.2003 24.5977 -0.00147919 -0.00299072 0.0025705 34
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10222 256 H 37.5752 40.2196 35.0282 0.015367 0.0104119 -0.00674305 34
10223 257 H 37.9668 42.7029 35.2167 0.00554972 -0.0101059 0.00598259 34
10224 258 H 36.2744 42.9048 34.78 -0.0034531 -0.0061911 0.00763859 34
10225 259 H 36.4101 43.5552 36.9607 0.00605725 -0.00525241 -0.00489979 34
10226 260 H 35.6278 41.9375 36.9998 0.00420382 -0.00941995 0.00538051 34
10227 261 H 37.6917 40.919 37.8603 0.00999082 -0.00391064 0.0166204 34
10228 262 H 38.6039 42.4214 37.6709 -0.000553402 -0.00214906 -0.0157415 34
10229 263 H 37.2398 43.5881 39.3132 -0.00563481 0.00062529 0.005544 34
10230 264 H 36.1886 42.2393 39.6029 -0.0127798 0.0105668 -0.0161626 34
10231 265 H 38.1641 40.89 40.4092 -0.00679598 0.00117154 0.0106691 34
10232 266 H 39.1909 42.2335 40.0006 0.000343561 -0.00488518 0.000695838 34
10233 267 H 38.9504 42.177 42.3548 -0.00754656 0.00966917 0.0202218 34
10234 268 H 38.1352 43.6469 41.8264 0.000157403 -0.00266329 0.000604565 34
10235 269 H 35.965 42.1911 41.9289 0.00226214 0.00584122 0.00494637 34
10236 270 H 36.8555 40.8403 42.5151 -0.0179329 -0.00107597 0.0045644 34
10237 271 H 36.7968 43.53 43.9853 0.0103092 -0.00260211 0.00199559 34
10238 272 H 35.5053 42.4093 44.1922 0.000939848 -0.0214642 0.0129886 34
10239 273 H 36.944 40.6004 44.9907 -0.0138921 0.00477237 0.0122834 34
10240 274 H 38.3518 41.6834 44.8813 0.00420603 0.0117383 0.00440158 34
10241 275 H 37.1692 41.4802 47.2854 -9.05483e-05 0.0060514 0.00474428 34
10242 276 H 37.294 43.1208 46.6633 -0.00230259 0.0015515 -1.31443e-05 34
10243 277 H 35.7363 42.2321 46.5296 0.000333665 0.00131789 0.0191166 34
10244 278 H 36.8656 32.856 33.2302 0.00154999 -0.0006515 0.00349124 34
10245 279 H 38.1258 34.1004 33.4394 3.618e-05 0.00310032 0.0107989 34
10246 280 H 35.8382 33.6296 35.4077 0.00895837 -0.00590141 0.0214388 34
10247 281 H 37.1106 34.8458 35.5664 0.00472675 0.00168578 -0.00422259 34
10248 282 H 38.7446 32.7929 35.2981 0.00481033 -0.00062964 0.000634828 34
10249 283 H 37.3096 31.8585 35.6509 0.00942061 -0.00576402 -0.00468699 34
10250 284 H 38.6282 33.9064 37.5152 -0.0139043 0.0145213 -0.0102952 34
10251 285 H 38.4402 32.1599 37.7226 0.00186863 0.0030899 0.00361792 34
10252 286 H 36.0621 32.3609 37.9408 0.000936343 0.00892185 -0.000970056 34
10253 287 H 36.1152 34.0997 37.7337 0.00369431 -0.00164597 -0.0130045 34
10254 288 H 36.0235 34.1189 40.0198 -0.0058488 -0.00291889 -0.00296357 34
10255 289 H 37.8044 34.0284 39.8416 0.000449095 -0.00621283 0.0100619 34
10256 290 H 37.5212 31.4516 39.8437 0.000614392 -0.0132743 0.0187794 34
10257 291 H 35.9073 31.7003 40.4809 0.00164 -0.00505976 0.0101425 34
10258 292 H 38.656 32.5564 41.6465 -0.00297166 0.00374928 -0.0129064 34
10259 293 H 37.7161 31.2016 42.1765 0.00182073 0.00914922 0.0211445 34
10260 294 H 35.9126 32.6921 42.9004 -0.00141138 0.00981141 0.00465826 34
10261 295 H 36.9539 34.0958 42.5946 -0.0041697 -0.00295384 -0.00862793 34
10262 296 H 38.7678 32.9229 44.1641 -0.000782635 -0.00263705 -0.00746364 34
10263 297 H 37.5757 31.6949 44.4654 -0.000269674 -0.00052752 0.0042462 34
10264 298 H 36.0449 33.4103 45.428 -0.000586267 0.00281757 -0.00638651 34
10265 299 H 37.379 34.5972 45.3775 -0.00462607 0.000719269 0.0128831 34
10266 300 H 37.3091 33.5718 47.6765 -0.00676788 -0.0094209 0.0075988 34
10267 301 H 38.7474 33.0385 46.8654 -0.00109043 -0.0105478 0.0166128 34
10268 302 H 37.3894 31.9341 46.9203 -0.00644725 0.00380477 0.0194084 34
10269 1 C 40.8665 33.9442 31.0886 0.00303919 0.0014599 -0.00052441 35
10270 2 C 41.0027 33.7989 29.7082 -0.00327255 0.000270862 0.000493305 35
10271 3 C 40.6219 32.6337 29.0876 0.000609653 -0.000200249 -0.000131185 35
10272 4 C 39.9996 31.6297 29.8282 -0.00160696 0.000339166 0.00265786 35
10273 5 C 39.7917 31.7731 31.2204 -0.00167036 -0.00101091 0.000514018 35
10274 6 C 40.2726 32.9331 31.8849 -0.00222545 0.00104984 0.00206672 35
10275 7 C 35.3467 30.7199 30.6833 -0.00364492 -0.00219531 -0.00145367 35
10276 8 C 35.5622 30.6377 29.3079 0.00581446 -0.00071239 -0.000310319 35
10277 9 C 36.8037 30.4453 28.7873 -0.00673338 0.000336378 -0.00374756 35
10278 10 C 37.8873 30.3959 29.6679 -0.00397017 -0.00335849 0.00183643 35
10279 11 C 37.6931 30.4905 31.0687 0.000499255 0.00169826 0.00257544 35
10280 12 C 36.3812 30.6103 31.6136 -0.00101033 0.00107504 0.000759079 35
10281 13 C 40.9031 27.0804 31.543 -0.000146239 0.00391523 -0.00137036 35
10282 14 C 41.0699 27.0591 30.1768 -0.000614518 0.00193964 -0.00146707 35
10283 15 C 40.5445 28.0964 29.4019 0.000197274 0.000637498 -0.00092154 35
10284 16 C 39.9356 29.2041 30.0206 -0.00474932 0.000441754 -0.000890622 35
10285 17 C 39.3443 30.3672 29.223 0.00186697 -0.00177633 0.000516099 35
10286 18 O 40.1239 28.1448 33.577 -0.00264057 -8.59856e-05 0.00234353 35
10287 19 O 36.1327 30.6931 32.9876 -0.00239582 0.000135412 -0.004239 35
10288 20 O 40.2357 33.1426 33.2737 0.00229904 -0.00272939 -0.00288061 35
10289 21 C 40.3065 28.1861 32.1613 -0.00265983 0.00111413 -0.00159051 35
10290 22 C 39.6666 30.2723 27.8055 0.000776017 -0.00320971 0.00253104 35
10291 23 C 40.0908 30.2353 26.6686 -0.00164866 -0.00532259 -0.000550399 35
10292 24 C 40.7883 30.2991 25.4405 0.000578025 -0.0051638 0.00334757 35
10293 25 C 40.6203 31.3901 24.5788 0.0016701 -0.00167008 -0.0019089 35
10294 26 C 41.483 31.5273 23.4619 0.00445939 -0.00174779 -0.000794642 35
10295 27 C 42.5523 30.6171 23.2626 9.58736e-05 0.000251378 0.0013243 35
10296 28 C 42.6985 29.5007 24.1088 -0.00281902 -0.00122612 0.00119627 35
10297 29 C 41.8366 29.3967 25.2184 0.0022399 0.0001667 -0.00147384 35
10298 30 C 43.3215 30.6689 22.0462 -0.00296783 0.00351714 0.00135142 35
10299 31 C 43.8361 30.7476 20.9602 0.000549287 -0.00511454 -0.00348792 35
10300 32 C 42.4436 27.3639 18.584 -0.000715012 0.00229695 -0.00124367 35
10301 33 C 42.707 27.3868 17.181 0.00447128 -0.00081034 0.00135163 35
10302 34 C 43.2995 28.4832 16.5986 0.000696096 -0.00313014 -0.00232372 35
10303 35 C 43.7071 29.6087 17.3563 -0.00346299 -0.00466496 -0.00220651 35
10304 36 C 43.5441 29.5488 18.7602 -0.00061568 -0.00284456 -0.000297666 35
10305 37 C 42.8913 28.4575 19.3672 0.00112019 -0.00299741 0.000794797 35
10306 38 C 44.1329 30.7483 19.5233 -0.00199657 -0.00229182 0.00144369 35
10307 39 C 48.0303 30.7733 19.2833 -0.00116785 -0.000370789 0.00360506 35
10308 40 C 48.1627 30.9024 17.8914 -6.84038e-05 -0.00144713 -0.00321094 35
10309 41 C 47.0294 31.0381 17.0652 -0.00237683 0.00145841 0.00522137 35
10310 42 C 45.7831 30.897 17.6493 -0.0035577 -0.00379382 0.000966289 35
10311 43 C 45.6099 30.7989 19.0473 0.00333309 0.00224869 0.00125504 35
10312 44 C 46.7507 30.7145 19.8892 -0.00107091 -0.00376718 0.00272913 35
10313 45 C 42.2088 34.0182 18.7419 -0.00121989 -0.00188686 -2.48038e-05 35
10314 46 C 42.3352 34.0629 17.3344 -0.00112046 -7.77419e-05 0.00146632 35
10315 47 C 43.0386 33.0506 16.6962 0.00272423 -8.80397e-05 0.000701699 35
10316 48 C 43.6517 32.0285 17.4275 0.000802967 -0.000888281 -0.00607825 35
10317 49 C 44.4392 30.8721 16.8784 -0.000106642 -0.00253223 0.00469216 35
10318 50 C 43.5127 32.0007 18.8318 -0.00122175 0.00153673 -0.000332486 35
10319 51 C 42.8222 33.0269 19.5048 0.00463159 0.000717746 -0.000728758 35
10320 52 O 47.2316 31.4565 15.7817 0.00313608 0.00445208 -0.00582194 35
10321 53 O 43.5628 28.4385 15.259 0.000416706 0.00169377 0.00277956 35
10322 54 O 43.1351 33.1576 15.3368 0.000760783 0.00181546 0.00128273 35
10323 55 C 39.0302 30.5962 31.8555 0.00217692 0.0013028 -0.00447729 35
10324 56 C 39.8315 29.3097 31.4128 -0.00231134 -0.000926802 0.000179943 35
10325 57 C 46.9406 30.597 14.6578 0.00103544 0.00184745 0.00202977 35
10326 58 C 46.8062 31.4922 13.4036 -0.0010854 0.00131089 -0.00197438 35
10327 59 C 46.7007 30.666 12.0797 0.00147609 0.00164214 -0.00055311 35
10328 60 C 46.5037 31.4558 10.7955 0.000916672 0.00373643 -0.00384522 35
10329 61 C 46.4177 30.4675 9.59021 -0.000471283 -0.0027001 -0.0025367 35
10330 62 C 46.2632 31.2127 8.23765 -0.00288585 0.00688592 0.00341736 35
10331 63 C 46.4019 30.2431 7.0181 -0.000103452 -0.000259097 0.00166161 35
10332 64 C 46.0686 30.8968 5.65936 -0.00551758 0.00523763 -0.00296516 35
10333 65 C 46.1847 29.8662 4.50025 0.000139447 -0.000293511 -0.00147812 35
10334 66 C 45.7784 30.3696 3.08171 -0.00232344 -0.00209045 0.000268048 35
10335 67 C 46.8629 31.1813 2.33313 -0.000812234 0.0018164 0.00164487 35
10336 68 C 46.5123 31.3007 0.831638 -0.00118828 -0.00134359 0.00130256 35
10337 69 F 41.2308 32.5044 22.5487 0.00213402 0.00181588 -0.002727 35
10338 70 C 44.0946 27.33 14.5562 -0.00111919 0.0033111 0.00326773 35
10339 71 C 44.9996 27.966 13.4224 -0.00182395 -0.00336268 0.00384136 35
10340 72 C 45.0932 27.3259 11.9938 0.00263207 0.00124637 0.000945018 35
10341 73 C 45.3472 25.7992 11.8988 0.0021314 5.4811e-05 0.00210316 35
10342 74 C 46.1598 25.335 10.6628 -0.00175704 -0.00459642 0.00285538 35
10343 75 C 45.9542 26.187 9.33263 -0.00301761 0.00141521 -0.00357986 35
10344 76 C 46.5012 25.4433 8.10129 -0.00398669 0.000420814 -0.000650305 35
10345 77 C 46.151 26.1649 6.77357 0.000137666 -0.00108447 -0.000393737 35
10346 78 C 46.6492 25.4174 5.52597 -0.00175449 -0.00485335 0.00323516 35
10347 79 C 46.2613 26.1722 4.22132 -0.000205058 0.000395387 -0.00285206 35
10348 80 C 46.9394 25.6521 2.92042 0.0045013 -0.0047444 -0.000137563 35
10349 81 C 46.5417 26.5282 1.71247 -0.00054971 -0.00030846 0.00163005 35
10350 82 C 42.1243 32.5282 14.5314 -0.000507829 -0.000479207 0.00260263 35
10351 83 C 42.8426 31.4377 13.7179 -0.00168255 -0.00027926 -0.00339605 35
10352 84 C 42.4899 31.2347 12.2269 -0.00254969 -0.00253048 0.000126438 35
10353 85 C 42.6545 32.4799 11.3633 0.000830403 -0.00105106 -0.00140796 35
10354 86 C 42.2821 32.2307 9.91175 0.00205779 -0.000896837 -0.00161718 35
10355 87 C 42.7292 33.3536 8.97603 -0.00226688 -0.00423108 0.00412368 35
10356 88 C 41.7947 33.8406 7.83992 0.000876926 0.00251686 -0.000262426 35
10357 89 C 41.1178 32.7597 6.97152 -0.001522 -0.00347896 0.000222621 35
10358 90 C 42.1117 31.905 6.16062 0.00302815 -0.000166636 0.00292023 35
10359 91 C 42.5498 32.5889 4.81082 0.00307858 0.00533701 -0.00115951 35
10360 92 C 41.3545 32.8582 3.86289 0.00169518 0.000779805 0.00175063 35
10361 93 C 41.7702 32.7562 2.37091 -0.000107031 0.000111008 0.00261546 35
10362 94 C 34.7402 30.8073 33.4749 0.00513613 0.000647741 0.000837905 35
10363 95 C 34.6144 30.7213 35.0086 0.00181007 0.000811193 0.0024124 35
10364 96 C 33.1748 30.7874 35.5176 0.00428161 -0.00508606 -0.000166276 35
10365 97 C 32.9553 30.5242 37.0441 -0.000995351 -0.000759986 -0.00106522 35
10366 98 C 33.8408 31.2764 38.0199 -0.0034496 0.0019092 -0.0013145 35
10367 99 C 33.2363 31.2801 39.4498 -1.6221e-05 0.00153601 -0.00310189 35
10368 100 C 33.4751 29.9689 40.2381 0.000368181 0.00326266 0.00376421 35
10369 101 C 32.9603 29.9223 41.6533 -0.0023655 0.000226331 -0.000235865 35
10370 102 C 33.7696 30.8048 42.6633 0.000174406 -0.00117564 0.000336408 35
10371 103 C 33.2872 30.5211 44.117 0.00392385 -0.00508203 0.00283657 35
10372 104 C 34.164 31.2082 45.1604 -9.62613e-05 0.00389379 4.15929e-05 35
10373 105 C 33.6627 30.9411 46.617 0.00153685 0.000625773 -0.0021718 35
10374 106 C 40.8588 34.3323 33.8393 0.000270502 0.00180316 -0.00104106 35
10375 107 C 40.8189 34.5701 35.3544 -0.00105843 -0.000459524 -0.000484264 35
10376 108 C 41.504 35.9051 35.7364 -0.00109762 0.000404504 -0.00157726 35
10377 109 C 41.4079 36.2741 37.2409 -0.00359166 -0.000702618 -0.00146169 35
10378 110 C 42.1772 35.2937 38.1156 -0.000268418 -0.00341571 -0.0038506 35
10379 111 C 42.0286 35.5345 39.6414 0.00264654 0.00112931 -0.000190988 35
10380 112 C 40.6277 35.2959 40.1989 0.00329362 0.00269686 -0.00292708 35
10381 113 C 40.4849 34.6211 41.5648 -0.00174414 0.00123119 0.00179284 35
10382 114 C 41.2197 35.3374 42.7375 0.00362279 0.00102129 -0.00124327 35
10383 115 C 40.7316 34.9141 44.1378 0.000679613 2.62085e-05 -0.00148723 35
10384 116 C 41.3168 35.7135 45.3078 0.00254396 -0.00142627 -0.00473576 35
10385 117 C 40.9489 35.1481 46.7019 0.00203368 -2.41885e-05 0.000602616 35
10386 118 C 40.5287 26.9681 34.3233 -0.000612559 -0.00456791 -0.00279523 35
10387 119 C 40.2677 27.0442 35.839 0.00393988 0.00374356 0.000456505 35
10388 120 C 41.3714 26.3731 36.696 0.00204687 -0.00175051 -0.00121289 35
10389 121 C 41.0993 26.4276 38.2403 -0.00196938 0.000545703 0.00351047 35
10390 122 C 42.3666 25.9716 39.0121 -0.00177811 0.00029879 -0.000538539 35
10391 123 C 42.2841 26.0912 40.5354 -0.00514504 -0.00680517 0.0033122 35
10392 124 C 41.2787 25.1485 41.2532 -0.00337396 -0.000208849 -0.00018662 35
10393 125 C 41.488 25.1008 42.8121 -0.00153469 0.000479916 0.000480665 35
10394 126 C 41.4989 26.4593 43.515 0.000665453 -0.00239788 -0.00317131 35
10395 127 C 41.376 26.4829 45.0751 -0.00175664 0.00245675 -0.000493961 35
10396 128 C 42.1166 25.3747 45.8411 -0.000706401 -0.00643126 0.000854226 35
10397 129 C 41.9963 25.5165 47.3533 5.39804e-05 -8.35717e-05 0.00061334 35
10398 130 F 39.6903 32.3407 24.8446 -0.0032974 -0.000832639 0.000809694 35
10399 131 H 41.2793 34.8452 31.5326 0.00543079 0.0025957 -0.00505982 35
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10401 133 H 40.7328 32.5811 28.0086 -0.00215917 0.0056514 -0.000703302 35
10402 134 H 34.3615 30.9498 31.0783 0.000335729 0.002061 0.00608037 35
10403 135 H 34.7194 30.7633 28.6348 0.00442247 -0.00572692 0.0004981 35
10404 136 H 36.956 30.3858 27.7137 -0.000115108 0.00354954 -0.00299127 35
10405 137 H 41.3073 26.2694 32.1415 0.0188956 0.00736665 -0.0095517 35
10406 138 H 41.5131 26.182 29.7145 0.00218013 0.00292371 -0.000650984 35
10407 139 H 40.6424 28.0268 28.3225 -0.00930672 0.0124628 -0.00254958 35
10408 140 H 43.5019 28.7778 24.0026 -0.00214649 -9.44823e-05 -0.00136801 35
10409 141 H 42.0499 28.5863 25.9092 0.00775481 0.00988673 0.00821742 35
10410 142 H 41.9285 26.5175 19.0287 0.00677429 -0.00566645 -0.00771112 35
10411 143 H 42.3818 26.505 16.6369 -0.00116319 -0.00501039 0.0114487 35
10412 144 H 42.6863 28.4137 20.4327 -0.0170553 0.0119193 -0.00208382 35
10413 145 H 48.8768 30.7292 19.9623 -0.00228452 -0.00160078 0.00492554 35
10414 146 H 49.1542 30.9797 17.455 0.00542643 -0.0002881 0.00947184 35
10415 147 H 46.6987 30.7085 20.9739 0.0058301 0.00182549 0.00310993 35
10416 148 H 41.6018 34.7702 19.2373 8.04856e-05 -0.000162276 -0.00104961 35
10417 149 H 41.8195 34.8511 16.7939 -0.00828121 -0.0079748 -0.00320346 35
10418 150 H 44.5262 30.9455 15.7873 -0.00247231 0.00660126 0.00511374 35
10419 151 H 42.7473 33.0354 20.5882 0.00350181 0.00547978 -0.000849024 35
10420 152 H 38.9005 30.612 32.9447 -0.00347726 0.0234598 -0.00552501 35
10421 153 H 47.8 29.9341 14.4983 0.00219042 0.000200268 0.0150945 35
10422 154 H 46.0541 29.9744 14.831 0.00422951 -0.00561424 -0.00843642 35
10423 155 H 47.6522 32.1798 13.2817 -0.000945005 -0.000406786 -0.0108357 35
10424 156 H 45.8875 32.0865 13.4823 -0.00446524 -0.00516043 0.00745907 35
10425 157 H 45.7836 30.0673 12.1423 0.00271938 -0.00142116 -0.0117591 35
10426 158 H 47.5662 29.995 12.0158 -0.00905971 -0.0121833 0.00196538 35
10427 159 H 47.2869 32.1902 10.5703 0.00191717 0.00143922 -0.00789692 35
10428 160 H 45.5698 32.0313 10.7912 -0.00498074 -0.00586613 -0.00690171 35
10429 161 H 45.5872 29.7624 9.71826 -0.00370075 0.00031114 -0.00694508 35
10430 162 H 47.3035 29.8235 9.6553 0.00606137 0.00657592 0.000289103 35
10431 163 H 46.9469 32.069 8.18496 -0.00554787 0.0101592 0.0216255 35
10432 164 H 45.2563 31.6476 8.25554 -0.0057274 0.000365021 0.00182326 35
10433 165 H 45.7665 29.3655 7.18989 0.00650218 -0.00773143 -0.01214 35
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10435 167 H 46.7243 31.7534 5.46004 0.000902272 0.00311145 0.00905202 35
10436 168 H 45.0435 31.2803 5.73349 -0.00311185 0.0100975 0.00525577 35
10437 169 H 45.5014 29.0476 4.75804 -0.00191634 0.000743708 -0.00363319 35
10438 170 H 47.1865 29.4198 4.47496 -0.00358476 -0.00843241 -0.00574646 35
10439 171 H 44.8602 30.9644 3.16172 -0.00695754 -0.00762313 -0.0119375 35
10440 172 H 45.5612 29.5035 2.44441 0.00707785 0.00534356 -0.013069 35
10441 173 H 47.8416 30.6866 2.36046 -0.00476808 -0.00537427 0.0124901 35
10442 174 H 46.9426 32.1964 2.74138 0.00261478 0.0017705 0.0010906 35
10443 175 H 45.5057 31.7264 0.736512 -0.0012165 -0.00235798 -0.00290519 35
10444 176 H 46.568 30.3462 0.293836 -0.0148438 -0.00307156 0.00296155 35
10445 177 H 47.1484 32.0333 0.319633 -0.00614183 0.00118314 -0.00126406 35
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10447 179 H 43.3403 26.6802 14.0957 -0.0085456 0.00978141 0.00634772 35
10448 180 H 44.5172 28.9301 13.2197 -0.00413211 -0.00377836 0.00735673 35
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10459 191 H 46.0975 24.427 8.01399 0.00934517 -0.00541819 0.00547746 35
10460 192 H 45.0595 26.1929 6.66773 -8.7457e-05 -0.00843823 -7.67071e-05 35
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10465 197 H 46.5782 27.217 4.32799 -0.00101939 -0.000179954 0.00514754 35
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10475 207 H 43.1907 30.49 11.8297 -0.000173589 -0.00114095 0.00171682 35
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10483 215 H 41.0386 34.5543 8.18988 -0.00439096 -0.00616586 0.00606314 35
10484 216 H 42.4193 34.4015 7.13366 0.0091962 0.00108079 0.00596809 35
10485 217 H 40.5057 32.1467 7.64454 0.00654756 -0.00129573 0.00955396 35
10486 218 H 40.362 33.2607 6.35406 0.0015282 0.00604332 0.00419547 35
10487 219 H 43.0334 31.6428 6.69466 0.00595633 0.00391423 -0.000118611 35
10488 220 H 41.6836 30.923 5.92468 0.00144274 0.0031457 -0.00800303 35
10489 221 H 43.0796 33.4981 5.12077 0.00737299 -0.000606463 0.00905516 35
10490 222 H 43.2573 31.8915 4.34556 -0.00497517 -0.00128425 -0.00350304 35
10491 223 H 40.5711 32.1139 4.05202 -0.0078632 0.00799637 -0.00941992 35
10492 224 H 40.8853 33.8279 4.07009 0.00647232 0.00373395 -0.00127628 35
10493 225 H 42.4296 33.5967 2.12137 0.00294286 -0.00161474 0.00486196 35
10494 226 H 42.2732 31.8059 2.15351 -0.00501057 -0.00240389 0.00225043 35
10495 227 H 40.8786 32.805 1.73365 0.00105735 0.00294731 0.00120594 35
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10497 229 H 34.1457 29.9901 33.0482 0.00670745 -0.0020749 0.0038593 35
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10499 231 H 35.2388 31.462 35.5233 0.00834131 -0.00881917 0.00835527 35
10500 232 H 32.7413 31.7647 35.2721 0.0110382 7.15753e-05 0.00844926 35
10501 233 H 32.5739 30.0993 34.9104 -0.00319316 -0.00163487 0.00333298 35
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10503 235 H 32.9817 29.4461 37.2453 0.0160293 0.00225196 0.0125811 35
10504 236 H 34.8025 30.7492 37.9975 -0.00280992 0.00364299 -0.0152387 35
10505 237 H 33.9801 32.3018 37.6556 -0.00678159 0.00769063 0.0137122 35
10506 238 H 33.6612 32.0915 40.0536 0.0199889 -0.0099569 -0.00174882 35
10507 239 H 32.1701 31.5205 39.3561 0.0039198 0.0204505 0.00026206 35
10508 240 H 33.0292 29.148 39.6631 0.00338245 -0.000360887 0.00660151 35
10509 241 H 34.5596 29.8036 40.237 -0.000538081 -0.00266058 -0.0083205 35
10510 242 H 31.8962 30.1884 41.6383 -0.00632504 -0.0154214 0.00334478 35
10511 243 H 33.0201 28.8713 41.9617 0.000603567 -0.00355312 -0.0136517 35
10512 244 H 34.8462 30.605 42.5972 0.00200425 0.0107778 -0.00594658 35
10513 245 H 33.6156 31.8726 42.4644 0.00518917 0.000676373 0.00637774 35
10514 246 H 32.2619 30.906 44.1817 -0.000169196 -0.0139528 -0.00920338 35
10515 247 H 33.3082 29.4357 44.2743 -0.00433134 -0.0066 -0.00651766 35
10516 248 H 35.1931 30.8362 45.0832 -0.00216788 -0.000359909 -0.00706008 35
10517 249 H 34.1525 32.2861 44.9569 0.00659218 0.000958651 -0.0158502 35
10518 250 H 32.6294 31.3053 46.6727 0.00482968 0.00722735 0.0152165 35
10519 251 H 33.7041 29.8923 46.9357 -0.00010651 -0.00113341 -0.00775914 35
10520 252 H 34.3043 31.546 47.2697 -0.0057265 0.0034554 0.00232806 35
10521 253 H 41.932 34.3495 33.6127 -0.000336329 -0.00871793 -0.0046375 35
10522 254 H 40.3694 35.218 33.4158 -0.000747512 -0.00328113 -0.0104675 35
10523 255 H 39.8357 34.6276 35.8375 0.00576359 -0.00994718 0.0146408 35
10524 256 H 41.3399 33.7257 35.8225 0.00500024 0.00471229 0.00210092 35
10525 257 H 42.5545 35.8245 35.4306 0.00152627 -0.0101785 0.0102057 35
10526 258 H 41.0767 36.7029 35.1165 -0.00176814 -0.00254603 -0.00492122 35
10527 259 H 41.8278 37.2785 37.3766 0.00626967 -0.00471147 -0.00234037 35
10528 260 H 40.363 36.3455 37.5672 -0.00259906 0.00573875 0.000324496 35
10529 261 H 41.8794 34.2565 37.9186 -0.00985014 -0.000547013 -0.00446277 35
10530 262 H 43.2508 35.3943 37.9138 0.00445943 -0.0117818 0.0169676 35
10531 263 H 42.7511 34.9447 40.219 0.00312821 0.0120441 0.0103711 35
10532 264 H 42.2937 36.5876 39.7964 0.00728808 -0.000544821 0.00329329 35
10533 265 H 40.1082 36.2598 40.2651 0.015293 0.00954246 -0.00909622 35
10534 266 H 40.0336 34.7472 39.4577 0.000447929 -0.0119848 0.0102528 35
10535 267 H 39.4103 34.6199 41.7854 -0.0030654 -0.00872303 -0.00472188 35
10536 268 H 40.8353 33.5833 41.5037 0.00678544 0.00523782 -0.0173896 35
10537 269 H 42.2957 35.1386 42.6588 0.0046609 0.0049355 0.00308395 35
10538 270 H 41.0659 36.4218 42.6754 -0.0101522 -0.000560379 0.00507028 35
10539 271 H 39.649 35.0866 44.1766 0.000556345 0.00480829 -0.0258903 35
10540 272 H 40.9527 33.8413 44.1987 -0.0121482 -0.00206561 0.00770935 35
10541 273 H 42.41 35.6556 45.2367 0.0022212 0.00204368 -0.0123391 35
10542 274 H 41.0247 36.7707 45.2869 -0.00464302 -0.00331624 0.000158511 35
10543 275 H 39.8666 35.0168 46.8233 -7.514e-06 -0.00112599 -0.0187403 35
10544 276 H 41.3498 34.1396 46.862 -0.00685201 -0.00213776 0.00966055 35
10545 277 H 41.3671 35.7708 47.5024 0.00966312 0.000779798 -0.00399922 35
10546 278 H 40.0003 26.0697 33.9812 0.00344066 -0.00948551 0.0038279 35
10547 279 H 41.5941 26.7477 34.1829 0.0024186 0.0188922 -0.0164253 35
10548 280 H 39.3375 26.516 36.0823 0.00667455 -0.0014831 -0.000412019 35
10549 281 H 40.164 28.0683 36.2184 -0.00313692 -0.00101683 0.011424 35
10550 282 H 42.264 26.9734 36.4811 0.0113363 -0.0128977 0.0063735 35
10551 283 H 41.515 25.3337 36.3759 -0.0121539 0.00173399 -0.0189183 35
10552 284 H 40.2585 25.7884 38.5366 0.000226909 -0.00634268 -0.0051583 35
10553 285 H 40.8295 27.4415 38.5607 0.018713 0.00621713 0.00294965 35
10554 286 H 43.2191 26.5799 38.6853 -0.00446893 0.000478195 -0.00722213 35
10555 287 H 42.5714 24.947 38.6781 0.0189375 0.00735467 -0.00947198 35
10556 288 H 42.0735 27.1407 40.7755 -0.000519717 -0.00465496 -0.00200798 35
10557 289 H 43.2526 25.8249 40.9766 -0.0116385 0.00614329 0.0254295 35
10558 290 H 41.3762 24.1013 40.941 -0.025937 -0.0013576 -0.00339981 35
10559 291 H 40.2531 25.4387 40.994 -0.00442714 -0.00533412 -0.00177645 35
10560 292 H 42.3978 24.5406 43.061 -0.00739539 -0.00220914 0.015895 35
10561 293 H 40.6835 24.4607 43.1948 -0.00208355 -0.00461202 -0.00913359 35
10562 294 H 40.6255 26.9816 43.1054 7.31068e-05 0.000386827 0.00165433 35
10563 295 H 42.4203 27.0055 43.2783 -0.00385324 0.00592307 -0.00158475 35
10564 296 H 40.3042 26.3652 45.2768 0.00374091 -0.00481092 0.0243324 35
10565 297 H 41.6658 27.4811 45.4257 0.00540783 0.00175216 -0.00440674 35
10566 298 H 43.1703 25.348 45.5371 0.000897428 0.00528178 0.005341 35
10567 299 H 41.6283 24.4236 45.5956 -0.00525672 -0.00193725 -0.00752655 35
10568 300 H 42.4481 24.6634 47.8744 0.0101315 0.0134113 0.0139917 35
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10570 302 H 42.46 26.4307 47.7438 7.1669e-05 -0.00522897 0.0126868 35
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10572 2 C 45.1525 40.5497 29.9771 0.00280793 0.000820714 -0.000479108 36
10573 3 C 44.7451 39.4456 29.2147 0.00420607 -0.0027168 -0.00169936 36
10574 4 C 44.0273 38.3988 29.848 0.000301464 -0.00142001 -0.00141997 36
10575 5 C 43.6982 38.4654 31.2014 0.000262837 -0.00141017 -0.00321898 36
10576 6 C 44.0779 39.5896 31.9296 0.00385362 0.0031 -0.00280662 36
10577 7 C 39.2771 37.2785 30.3055 0.00764748 0.000313276 -0.00325263 36
10578 8 C 39.5854 37.0968 28.9424 0.000886505 -0.000687018 -0.00273536 36
10579 9 C 40.9075 37.0553 28.4918 -0.00045412 -0.00307952 -0.000646795 36
10580 10 C 41.9281 37.1643 29.4262 0.00309087 -0.00121118 0.000225841 36
10581 11 C 41.6336 37.2485 30.8262 -0.00045275 -0.00160601 -0.00134579 36
10582 12 C 40.302 37.3556 31.2764 -0.00125729 0.00165174 -0.00117221 36
10583 13 C 45.0053 33.9782 31.5078 0.00141319 -0.0056281 0.000910451 36
10584 14 C 45.2563 33.93 30.1254 0.00302095 0.00133991 0.00194266 36
10585 15 C 44.7354 34.9229 29.2937 -0.00129964 0.00299994 -0.00208534 36
10586 16 C 44.0108 35.9567 29.8847 2.74495e-05 0.000536727 -0.0018585 36
10587 17 C 43.4256 37.1544 29.1177 -0.000536166 -0.00179186 0.000231381 36
10588 18 O 44.1757 35.0582 33.5262 0.00104499 0.00310652 0.00032015 36
10589 19 O 39.9922 37.4222 32.6158 0.001572 -0.00120479 0.00053253 36
10590 20 O 43.848 39.6626 33.3128 -0.00357371 0.000838438 0.00125892 36
10591 21 C 44.2956 35.0303 32.1248 0.000463933 0.000953853 0.00244376 36
10592 22 C 43.7755 37.1237 27.7195 0.00438883 -0.000952405 -0.0045612 36
10593 23 C 44.3011 37.1701 26.6311 0.00194906 0.00118635 7.65222e-06 36
10594 24 C 45.0998 37.2195 25.4453 -0.00099568 -0.000295618 0.00205427 36
10595 25 C 44.812 38.1866 24.4957 -0.00481722 0.00554546 0.000378234 36
10596 26 C 45.5817 38.2281 23.3588 -0.0025891 0.00191328 -0.00424029 36
10597 27 C 46.6789 37.3673 23.1901 0.000143421 -0.000939589 -0.000100925 36
10598 28 C 46.9192 36.3591 24.1175 -0.0014102 0.00466697 -0.000545344 36
10599 29 C 46.1202 36.2953 25.2553 -0.000897103 -0.00244986 -0.00165734 36
10600 30 C 47.429 37.4337 21.9584 0.000558835 -0.000627419 0.00037823 36
10601 31 C 47.9717 37.5057 20.8932 -0.00291552 0.00130011 0.00505936 36
10602 32 C 46.282 34.2748 18.7158 -0.000442838 -0.00403217 -0.00189075 36
10603 33 C 46.4222 34.258 17.3098 0.00235561 -0.00277839 -0.00425951 36
10604 34 C 47.1534 35.2513 16.6578 -0.00201625 0.00323761 -0.00108676 36
10605 35 C 47.7012 36.2991 17.3943 0.00022332 -0.00102255 0.00167002 36
10606 36 C 47.564 36.3231 18.7936 -0.00142182 -0.00200101 0.000502339 36
10607 37 C 46.8622 35.2823 19.488 0.00274497 0.00568766 -0.00207663 36
10608 38 C 48.2801 37.5158 19.4936 -0.000760441 0.00241764 -0.000313698 36
10609 39 C 52.1382 37.6934 19.1666 -0.00357995 -0.00141916 -0.000834415 36
10610 40 C 52.2407 37.715 17.7499 -0.00152085 0.00325117 0.00162257 36
10611 41 C 51.0766 37.5976 16.9776 0.00160388 -0.00234037 0.000239008 36
10612 42 C 49.8338 37.4637 17.6029 0.00167296 -0.000562071 0.000242051 36
10613 43 C 49.7449 37.4929 19.0238 -0.000542453 0.00015807 3.7485e-05 36
10614 44 C 50.91 37.6008 19.8258 -0.0037846 0.00103001 -0.000160312 36
10615 45 C 46.6171 40.8893 18.6068 -0.000367149 0.000250886 0.00345589 36
10616 46 C 46.8048 40.8846 17.2081 0.000460486 0.00266382 0.000984345 36
10617 47 C 47.3684 39.7778 16.5693 -0.00301856 -0.00111883 0.000526906 36
10618 48 C 47.835 38.7328 17.3859 -0.00357134 0.000360375 0.000288663 36
10619 49 C 48.5024 37.4693 16.8619 0.00354438 0.000428718 0.000780638 36
10620 50 C 47.6907 38.7357 18.8039 0.000453464 -0.00112101 -0.00046531 36
10621 51 C 47.0541 39.8292 19.3969 -0.00231468 -0.000957843 0.000531137 36
10622 52 O 51.1497 37.6261 15.6112 0.000193453 0.00203973 -0.00168807 36
10623 53 O 47.3631 35.2274 15.3433 0.000835332 4.98474e-05 -0.00191932 36
10624 54 O 47.551 39.7287 15.1908 4.76824e-05 0.00264845 0.00178006 36
10625 55 C 42.8951 37.2459 31.702 0.00375244 0.00312667 -0.00125204 36
10626 56 C 43.7196 36.0028 31.2754 -0.000836487 0.00151263 0.00429998 36
10627 57 C 51.7946 36.5597 14.8782 -0.000984652 0.00235355 0.00176102 36
10628 58 C 50.7955 35.9849 13.8378 -0.00277694 -0.000221152 -0.000981167 36
10629 59 C 50.3453 36.8904 12.7126 -0.0049827 -0.0031796 0.00476566 36
10630 60 C 50.3191 36.1926 11.3444 0.000556389 0.000217381 -0.000876057 36
10631 61 C 49.8432 37.1122 10.207 0.000713159 0.000203242 -0.00139551 36
10632 62 C 49.9067 36.3285 8.85107 0.000840753 0.000696882 -0.00232442 36
10633 63 C 49.5516 37.1708 7.60988 -0.00274122 0.00340788 0.00011441 36
10634 64 C 49.6993 36.3115 6.37085 0.00270269 -0.00212003 0.00018864 36
10635 65 C 49.5841 37.1235 5.0706 6.59353e-05 0.000431239 -0.00379383 36
10636 66 C 49.7284 36.1536 3.89885 -0.00243136 -0.000780277 -0.000757215 36
10637 67 C 50.1542 36.7821 2.53621 0.00158861 0.000513558 -0.00627173 36
10638 68 C 49.051 37.644 1.93873 -0.00262727 0.0029735 0.0041418 36
10639 69 F 45.2551 39.1449 22.4138 0.00027202 0.00409849 -0.000297503 36
10640 70 C 46.3434 34.9691 14.4061 -8.17363e-05 -0.000705143 -0.00106518 36
10641 71 C 46.9696 35.153 13.0442 0.000982506 -0.00221324 0.002225 36
10642 72 C 45.993 34.8231 11.9187 -0.00517269 0.00172029 -0.000712328 36
10643 73 C 46.6942 35.0396 10.5373 -0.000750424 -0.00117398 -0.00121589 36
10644 74 C 45.7701 34.814 9.33538 -0.00179403 -0.000231 -0.00447763 36
10645 75 C 46.4693 35.0914 7.98028 0.00156863 -0.000196237 -0.00219301 36
10646 76 C 45.5716 34.8373 6.78038 -0.0033398 -0.00170164 0.00492413 36
10647 77 C 46.2782 35.167 5.45804 0.000649575 0.00103209 -0.00230569 36
10648 78 C 45.5171 34.631 4.2291 -0.00019425 0.00145492 -0.00231675 36
10649 79 C 46.1385 35.1198 2.91476 0.00211588 0.0010955 0.00163999 36
10650 80 C 45.1063 34.8577 1.77417 -0.00181021 -0.000574365 0.00288559 36
10651 81 C 45.7309 35.2215 0.419838 0.0014618 -0.00205827 0.000498735 36
10652 82 C 48.7212 40.3555 14.6929 0.000807273 -0.00451524 0.00209664 36
10653 83 C 48.7248 40.2622 13.1691 0.000748728 -0.00174945 -0.000959405 36
10654 84 C 49.6727 41.1271 12.354 0.000364256 -0.00397574 0.00142756 36
10655 85 C 49.4412 41.0232 10.8601 -0.00507928 0.00380339 0.00283142 36
10656 86 C 50.2213 42.0835 10.1024 -0.00476543 0.000374382 0.000816001 36
10657 87 C 50.5439 41.8001 8.61085 -0.000348444 -0.00266221 -0.00138712 36
10658 88 C 49.497 40.905 7.85653 0.00320453 -0.00291486 0.000625415 36
10659 89 C 49.8402 40.5051 6.37649 0.000165106 0.00131433 0.000188816 36
10660 90 C 49.7889 41.6074 5.30345 -0.000475121 -0.00164369 0.000493412 36
10661 91 C 49.6835 40.979 3.91425 1.10201e-05 0.000817117 0.00327671 36
10662 92 C 49.8042 42.0204 2.81033 -0.00134774 0.00269332 -0.000129501 36
10663 93 C 49.6217 41.3239 1.43513 -0.000233588 0.00111074 -7.24221e-05 36
10664 94 C 38.6072 37.475 33.0514 0.00175417 0.00222629 -0.000541204 36
10665 95 C 38.4133 37.3097 34.5595 -0.00338259 0.000463242 0.00184818 36
10666 96 C 37.0219 37.5855 35.1363 0.00464711 0.00341214 -0.00533325 36
10667 97 C 37.0502 38.0328 36.5924 0.00392212 -0.000332458 0.00303918 36
10668 98 C 37.3516 36.8509 37.5716 -0.000195306 0.00223067 -0.00413734 36
10669 99 C 37.8623 37.259 38.9539 0.0030109 -0.00368766 -0.00749959 36
10670 100 C 36.7697 38.0495 39.7676 -0.000276785 -0.00304245 -0.00169014 36
10671 101 C 36.9216 37.8971 41.2864 -0.00268877 7.87706e-05 0.000875461 36
10672 102 C 38.3586 37.9014 41.8801 0.000455264 -0.000565434 0.000310899 36
10673 103 C 38.448 38.2414 43.3753 -0.00218761 0.00319925 0.00342575 36
10674 104 C 37.5694 37.3943 44.31 -0.000213658 -0.00331183 -0.00270625 36
10675 105 C 37.8157 37.6349 45.8116 -0.00243283 -0.00526436 -0.00237337 36
10676 106 C 43.7275 40.8877 34.0153 9.42117e-05 0.00218499 -0.00181943 36
10677 107 C 44.9332 41.1243 34.9793 0.0009876 -0.00441 0.00110305 36
10678 108 C 44.4792 41.8989 36.2406 -0.000479882 -0.00121435 0.00402561 36
10679 109 C 45.4663 41.6861 37.426 0.000425504 0.00422714 0.00434149 36
10680 110 C 44.6671 41.7649 38.7237 0.00204691 -0.00218002 0.00468221 36
10681 111 C 45.5847 41.7717 39.9847 -2.35461e-05 0.000331616 -0.00222227 36
10682 112 C 44.815 42.0301 41.2667 0.00214134 -0.00262173 -0.000308801 36
10683 113 C 45.6883 42.0886 42.5293 0.00229583 0.00252804 0.0019617 36
10684 114 C 44.8485 42.0645 43.7777 0.00117093 0.00325938 -0.00278147 36
10685 115 C 45.7426 41.9533 45.0589 0.00390207 0.00268367 0.00203736 36
10686 116 C 45.0037 41.5033 46.3306 -0.00112337 -0.00166577 -0.00144654 36
10687 117 C 43.8 42.3572 46.6981 -0.00246208 -0.00346204 -0.00420552 36
10688 118 C 44.5378 33.8462 34.2861 -1.08117e-05 -0.00548869 -0.00110534 36
10689 119 C 44.463 33.9346 35.8161 -0.00142761 0.00159324 0.000510936 36
10690 120 C 45.3446 32.8711 36.5359 -0.00452219 -0.00178452 0.000218037 36
10691 121 C 45.6838 33.226 38.031 0.00108993 0.000507754 0.00028308 36
10692 122 C 44.6743 32.8382 39.1032 8.02962e-05 0.000224106 -0.00129567 36
10693 123 C 45.3203 32.9253 40.5055 0.00225322 0.000364037 0.00119402 36
10694 124 C 44.4023 32.5759 41.6808 -0.00106545 -2.99491e-05 0.00133382 36
10695 125 C 45.0276 32.8983 43.0582 -0.00344822 -0.00090704 0.00117468 36
10696 126 C 44.0347 32.5234 44.2174 0.0035623 0.00207175 0.00406855 36
10697 127 C 44.6305 32.5126 45.6092 0.00384575 0.0025968 -0.00229859 36
10698 128 C 44.8445 33.9238 46.1709 -0.00137794 -0.00477657 0.000694857 36
10699 129 C 45.5493 33.8287 47.5346 -0.000317601 -0.00259956 -0.00160597 36
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10711 141 H 46.337 35.5352 25.9999 0.00121904 0.00205477 0.00232724 36
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10721 151 H 46.8797 39.8909 20.467 0.000309091 -0.00323513 0.00108675 36
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10727 157 H 50.9769 37.7872 12.7011 0.0027191 -0.00852388 0.0104366 36
10728 158 H 49.3112 37.1743 12.9437 -0.00032644 0.0123423 0.00646522 36
10729 159 H 49.7302 35.2738 11.4559 -0.000212561 0.00150873 0.00584037 36
10730 160 H 51.3745 35.9189 11.2233 -0.00197918 -0.0173469 0.0165937 36
10731 161 H 50.4844 37.9912 10.066 0.00678504 -0.00640705 -0.0151696 36
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10735 165 H 50.1785 38.0639 7.49719 0.00388373 0.000491768 0.0140857 36
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10737 167 H 49.021 35.4501 6.40496 0.00675755 -0.00524083 0.0020799 36
10738 168 H 50.7188 35.9065 6.37559 -0.00102525 -0.0113309 0.0116938 36
10739 169 H 50.3579 37.8979 4.99989 -0.0037913 0.00538323 0.00828471 36
10740 170 H 48.6424 37.6862 5.06836 -0.000624927 -0.000756779 -0.00821752 36
10741 171 H 48.8319 35.5312 3.78847 -0.0001149 -0.00231341 -0.0109606 36
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10744 174 H 51.0565 37.3979 2.63592 0.00323411 -0.00215412 -0.00470199 36
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10752 182 H 45.6624 33.7808 12.0076 0.0160299 -0.00455519 0.00450213 36
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10759 189 H 47.3714 34.4746 7.88404 0.00469494 0.00282693 0.00773442 36
10760 190 H 45.2801 33.7799 6.79766 -0.0121229 0.000886954 0.0154007 36
10761 191 H 44.6619 35.4396 6.89475 3.67261e-05 0.00152556 0.0148699 36
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10763 193 H 47.2995 34.767 5.43841 0.00399458 0.0100755 -0.0137258 36
10764 194 H 45.4258 33.5381 4.20332 -0.00781182 0.00197969 0.00238623 36
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10767 197 H 47.0573 34.5633 2.69255 -0.00281003 -0.00754345 0.00291327 36
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10775 205 H 48.8951 39.2067 12.9234 0.00326631 0.000899252 -0.0105545 36
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10783 213 H 50.5467 42.7491 8.06056 0.00360686 0.00518164 0.0122053 36
10784 214 H 51.5361 41.3477 8.49145 0.000631639 -0.00302527 0.00821742 36
10785 215 H 49.3455 39.9451 8.36549 -0.000958111 -0.00537084 -0.0052256 36
10786 216 H 48.5444 41.4484 7.83077 -0.002625 -0.0127691 0.00933518 36
10787 217 H 50.797 39.9687 6.39267 -3.82285e-05 0.00137111 0.0162164 36
10788 218 H 49.0705 39.7915 6.05763 0.00459559 -0.00603195 0.0059867 36
10789 219 H 48.9182 42.2446 5.50149 0.00641555 0.00592509 0.00655293 36
10790 220 H 50.6216 42.3133 5.41184 -0.00228627 -0.000424249 0.00657636 36
10791 221 H 50.4195 40.178 3.77207 -0.0105064 -0.00730187 -0.00544102 36
10792 222 H 48.6815 40.5568 3.76891 0.00367445 -0.00323014 -0.0103069 36
10793 223 H 48.9722 42.7154 2.97846 0.00366527 0.00934379 -0.0028902 36
10794 224 H 50.7332 42.6037 2.82163 -0.00339856 0.00586227 0.00473075 36
10795 225 H 50.3999 40.5724 1.25387 0.00564631 0.00955453 -0.00992298 36
10796 226 H 48.6495 40.8355 1.29458 -0.000295677 0.00190392 -0.00241288 36
10797 227 H 49.7619 42.0679 0.641239 0.00340585 -0.011348 -0.0111109 36
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10799 229 H 38.0396 36.6355 32.6312 0.00341067 0.00673419 -0.0117162 36
10800 230 H 38.7252 36.298 34.8472 0.0159134 0.00687961 0.00363099 36
10801 231 H 39.1923 37.9097 35.0458 0.00471279 -0.00993982 0.00178136 36
10802 232 H 36.5552 38.376 34.5357 -0.00692086 0.0010508 0.000581626 36
10803 233 H 36.4258 36.6739 35.0054 0.00711916 -0.000192372 0.0084356 36
10804 234 H 37.7561 38.8612 36.7295 -0.00200995 0.00271839 0.0151622 36
10805 235 H 36.0478 38.4078 36.8332 -0.000369037 -0.00642029 -0.00531102 36
10806 236 H 36.4234 36.2753 37.6746 0.00340124 -0.00428731 -0.00821297 36
10807 237 H 38.1252 36.1932 37.1563 -0.00306862 -0.00234357 -0.00224212 36
10808 238 H 38.147 36.3493 39.4969 0.0106581 -0.000506938 -0.0061644 36
10809 239 H 38.7639 37.875 38.849 0.00973715 -0.0131539 -0.00521116 36
10810 240 H 36.9028 39.1071 39.5083 -0.0101263 -0.00528378 -0.0157937 36
10811 241 H 35.7472 37.7163 39.5515 0.000466117 -0.0059483 -0.000750606 36
10812 242 H 36.4337 38.7454 41.7822 0.0032729 0.00443939 -0.000702902 36
10813 243 H 36.3968 36.9814 41.5856 -0.0030124 -0.00326175 -0.0099013 36
10814 244 H 38.7473 36.9225 41.5733 -0.000310408 -0.00117999 0.00131593 36
10815 245 H 38.9865 38.6471 41.377 -0.000866339 0.00595097 0.00831102 36
10816 246 H 39.502 38.1574 43.6678 -0.00592606 -0.0205843 0.0099926 36
10817 247 H 38.142 39.2808 43.5468 -3.96409e-05 0.00371264 0.00413776 36
10818 248 H 36.5284 37.6146 44.0431 0.000985422 -0.00076702 -0.00529642 36
10819 249 H 37.7355 36.3387 44.0618 -0.0013204 -0.00370615 -0.00176601 36
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10821 251 H 37.8329 38.7077 46.0404 -0.00593538 -0.00710218 0.00653056 36
10822 252 H 37.0372 37.2198 46.4635 -0.00265719 -0.000765626 0.00023934 36
10823 253 H 43.5543 41.709 33.309 -0.00764303 0.00413411 0.0023444 36
10824 254 H 42.8335 40.7926 34.6439 0.00322773 0.00414735 0.00293186 36
10825 255 H 45.3249 40.1662 35.3425 -0.00344086 -0.00528727 0.00357727 36
10826 256 H 45.6927 41.6916 34.4272 -0.000946787 0.000654825 0.00363755 36
10827 257 H 44.2948 42.9339 35.9274 0.00581778 -0.00194841 -0.00213614 36
10828 258 H 43.4924 41.5064 36.5157 0.000902418 -0.00794921 -0.000609865 36
10829 259 H 45.9207 40.6888 37.3768 -0.0173122 -0.00376574 0.0025843 36
10830 260 H 46.3033 42.3944 37.4594 0.000559609 0.00446892 -0.00469391 36
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10833 263 H 46.0258 40.7692 40.0464 0.000464411 0.00104047 0.00570381 36
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10836 266 H 44.1049 41.2088 41.4237 0.012283 -0.012278 -0.00498269 36
10837 267 H 46.3506 41.2167 42.5966 -0.00269672 -0.00123586 0.00232212 36
10838 268 H 46.3125 42.9904 42.5046 0.000675051 0.00376419 0.00620923 36
10839 269 H 44.166 42.9225 43.8158 0.0101933 0.0100203 0.00622452 36
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10856 286 H 44.3636 31.7974 38.9491 -0.0162402 0.00563489 -0.00473167 36
10857 287 H 43.7856 33.4763 39.0238 0.000440634 0.00127473 0.00312091 36
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10859 289 H 46.2074 32.2836 40.5739 -0.00136966 -0.00391815 0.00812006 36
10860 290 H 44.1201 31.5161 41.6565 0.0126028 -0.00355898 -0.0030793 36
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10864 294 H 43.5923 31.5339 44.0485 0.000483518 0.00552505 -0.00811767 36
10865 295 H 43.2021 33.2276 44.0981 -0.000682764 -0.00259175 0.00624326 36
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10869 299 H 45.4827 34.5114 45.4995 0.00929299 -0.0225372 -0.00472635 36
10870 300 H 46.5155 33.3123 47.4774 -0.000731065 -0.00390441 0.00315578 36
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10874 2 C 4.47142 8.29669 78.4283 0.0033343 0.000222472 -0.00100036 37
10875 3 C 3.90742 7.18382 77.8008 -0.00554698 0.00366203 0.00701534 37
10876 4 C 3.32564 6.17514 78.5905 -0.000497156 -0.00220161 -0.00303016 37
10877 5 C 3.24261 6.25151 79.9946 0.00296801 0.00106741 -0.00075498 37
10878 6 C 3.77238 7.42331 80.6485 0.00438113 0.000502827 -0.00307696 37
10879 7 C -1.29681 4.61861 79.4038 0.00255418 -0.00225239 0.00190655 37
10880 8 C -1.08563 4.65617 78.0185 0.00297722 -0.00490298 0.0026273 37
10881 9 C 0.206782 4.81998 77.5504 -0.00491524 -0.00487268 -0.000976747 37
10882 10 C 1.29657 4.92263 78.426 -0.00555402 -0.000603304 -0.00302881 37
10883 11 C 1.08886 4.97886 79.8169 -0.00342614 0.00289682 0.00146511 37
10884 12 C -0.227595 4.84525 80.3319 -0.00467859 5.75114e-06 0.00479537 37
10885 13 C 4.47148 1.66083 80.1126 -0.0071141 0.00108904 -0.00601243 37
10886 14 C 4.58684 1.71974 78.7028 -0.00253321 0.00190895 0.000348743 37
10887 15 C 4.02924 2.78298 78.0093 9.55017e-05 -1.19703e-05 -0.00227766 37
10888 16 C 3.33851 3.77985 78.6746 -0.000849755 -0.00270659 -0.000169477 37
10889 17 C 2.7174 4.93247 77.9414 0.00127062 0.00289103 -0.000256553 37
10890 18 O 3.73427 2.56857 82.2117 0.00174333 0.00238796 0.00207483 37
10891 19 O -0.538087 4.9305 81.6769 -0.00326565 -0.00019885 0.00482798 37
10892 20 O 3.68199 7.63612 82.0311 -0.000460531 0.00367974 0.000917142 37
10893 21 C 3.78815 2.65946 80.8477 0.00191127 0.001262 -0.000779107 37
10894 22 C 2.80307 4.81394 76.4897 -0.00203662 0.00217902 -0.00361115 37
10895 23 C 2.64454 4.57623 75.3039 -0.00462111 0.000148978 -0.0013776 37
10896 24 C 2.26303 4.23775 73.9675 0.00300979 -0.00109228 -0.0014277 37
10897 25 C 1.29157 5.02661 73.3349 0.00122923 -0.0019242 0.000159244 37
10898 26 C 0.830153 4.63012 72.0469 0.00335155 0.00310491 -0.00123764 37
10899 27 C 1.25802 3.42696 71.442 -0.000426202 0.0015357 0.00167082 37
10900 28 C 2.21958 2.65215 72.0825 -0.00237874 -0.00098892 0.0033771 37
10901 29 C 2.68177 3.05314 73.3433 -0.00279579 -0.000618807 -0.00528468 37
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11970 192 H 9.04579 4.04613 54.2622 0.00562341 0.0137548 0.00449307 40
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11983 205 H 12.3289 10.865 60.6765 0.0199452 -0.00336506 -0.00541456 40
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11987 209 H 12.3552 13.7481 59.216 0.002411 -0.000404744 -0.00350433 40
11988 210 H 14.0525 14.0666 58.9347 0.0126756 -0.00388966 0.00668573 40
11989 211 H 14.411 12.0142 57.7786 -0.00608416 -0.016968 0.00925932 40
11990 212 H 12.7042 11.4765 58.1047 0.00461315 -0.00196449 0.0120487 40
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11992 214 H 13.4759 14.0176 56.5544 -0.00693322 0.000925763 -0.00755062 40
11993 215 H 12.3434 11.3324 55.7435 -0.0186487 0.00253946 -0.00680095 40
11994 216 H 12.0458 12.6892 54.7164 -0.00727659 -0.0108867 0.00280614 40
11995 217 H 14.9431 12.4745 55.3366 0.00178584 -0.000889986 -0.000227278 40
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11998 220 H 15.2731 12.5857 53.0371 0.00144673 -0.00523619 -0.0123499 40
11999 221 H 13.9353 11.0224 51.9548 0.0110406 0.00329329 0.0139096 40
12000 222 H 12.4089 11.5349 52.7879 0.00289194 -0.00691743 -0.00496726 40
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12014 236 H 9.64309 12.7863 86.3762 0.00112857 0.00399609 1.67315e-05 40
12015 237 H 8.20274 13.8778 86.4107 0.00678989 0.000949403 5.89338e-05 40
12016 238 H 7.07005 12.0369 87.8658 0.000699837 -0.00821638 0.00810638 40
12017 239 H 8.61183 11.2223 87.8923 0.000834955 0.0040421 0.00533355 40
12018 240 H 9.56274 13.1325 89.2003 -0.000942845 0.00684328 -0.00129559 40
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12023 245 H 7.40042 12.4674 92.3338 0.00129478 0.00702624 0.00780859 40
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12455 73 C 17.7475 5.48255 59.4831 -0.000718127 -0.00135931 -0.00448781 42
12456 74 C 16.6877 5.6088 58.3204 0.00264618 -0.00423304 0.00659172 42
12457 75 C 17.3813 5.68169 56.9374 -0.00150514 0.000300716 -0.00197645 42
12458 76 C 16.4001 5.73949 55.7702 -0.00268131 -0.00411673 -0.000605385 42
12459 77 C 17.1629 5.76974 54.4403 -0.000335453 -0.00175056 0.00361345 42
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12463 81 C 16.9397 5.30525 49.4151 -0.000368888 0.00155098 0.000838817 42
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12465 83 C 20.4848 11.9077 61.765 -0.000218293 -0.000381786 0.000143791 42
12466 84 C 20.8965 13.2724 61.1167 -0.000641107 0.00550923 0.00234602 42
12467 85 C 21.5111 13.242 59.6994 -0.00242526 -0.00647286 -0.00303751 42
12468 86 C 20.8694 12.3331 58.6481 0.00179135 0.00116825 0.00345539 42
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12471 89 C 21.1831 12.6452 54.7466 0.00301148 -0.00179795 -0.00146579 42
12472 90 C 20.529 11.9167 53.5854 -0.00108604 -0.00325868 -0.00143311 42
12473 91 C 21.0238 12.3961 52.1622 0.00436884 0.000592718 -0.00157544 42
12474 92 C 20.3807 11.6717 50.9759 -0.00147006 0.000128306 0.00280633 42
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12477 95 C 18.0936 12.5443 84.563 0.00353838 0.00115438 0.00125792 42
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12479 97 C 16.3719 12.4981 86.5824 0.000875781 0.00298512 -0.00304655 42
12480 98 C 17.3284 12.4864 87.8192 0.000444777 0.00167379 0.0028031 42
12481 99 C 16.5484 12.5839 89.1524 0.00300389 0.00198778 0.000338004 42
12482 100 C 17.4084 12.61 90.419 0.00349901 0.00552818 -0.00313841 42
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12495 113 C 25.739 16.9766 90.6683 -0.00448929 -0.000512997 0.000602416 42
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12506 124 C 25.6224 7.55583 90.1159 0.00296304 0.000414747 -0.00109228 42
12507 125 C 25.0063 7.977 91.48 0.000241353 -0.00067858 0.000478426 42
12508 126 C 25.9487 7.68294 92.6442 -0.000753621 0.00103619 0.00240136 42
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12510 128 C 26.2138 7.71049 95.1293 -0.00260547 -0.00243109 -0.00139758 42
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12567 185 H 18.2488 4.50678 59.479 0.00329562 0.000636366 0.0086733 42
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12574 192 H 17.7667 6.68516 54.411 0.00683498 -0.00628148 0.00978125 42
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12581 199 H 15.448 6.35534 50.6021 0.00474252 0.00552954 0.0102651 42
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12583 201 H 16.2346 5.1508 48.5891 -0.00603653 -0.00956458 0.00775963 42
12584 202 H 17.5218 6.20839 49.1938 -0.0071129 0.00692865 0.00506737 42
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12586 204 H 20.7023 12.4947 63.8367 -0.00532017 -0.00761729 0.0155859 42
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12588 206 H 19.7516 11.3918 61.1328 -0.00460835 -0.0105143 0.0134924 42
12589 207 H 20.0342 13.9465 61.0426 0.00255255 0.0100073 0.00604066 42
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12591 209 H 21.5554 14.2796 59.346 0.00445907 -0.00727797 -0.00455458 42
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12594 212 H 19.7741 12.3916 58.6297 0.00180263 0.00356304 0.0107731 42
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12599 217 H 20.8879 13.7002 54.803 0.00175144 -0.00292239 0.0136536 42
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12601 219 H 20.7377 10.8412 53.6423 -0.00897254 -0.00411636 0.0107446 42
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12605 223 H 20.6428 10.6107 51.0706 -0.00541096 0.000238064 0.0149374 42
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12610 228 H 17.3699 13.02 82.5776 -0.00248116 0.000852595 0.0106383 42
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12613 231 H 18.0185 13.6188 84.7712 0.00246668 -0.00122056 0.013193 42
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12615 233 H 17.1455 10.8233 85.4607 0.0130076 0.00332964 0.00830538 42
12616 234 H 16.0269 13.5236 86.4015 -0.00903872 0.000240415 0.000276534 42
12617 235 H 15.486 11.9287 86.8896 0.00351657 0.00968358 0.0170791 42
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12621 239 H 15.9155 11.6944 89.2606 -0.0110754 0.012026 0.000349648 42
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12623 241 H 18.0359 13.5039 90.5217 0.000131362 0.0084204 -0.00790268 42
12624 242 H 15.7639 13.1418 91.7128 0.00545095 0.0032549 0.00880184 42
12625 243 H 16.1698 11.3892 91.7051 -0.00659087 0.00049101 -0.0121576 42
12626 244 H 18.2486 11.9573 92.9779 -0.000357425 0.00203265 -0.0063895 42
12627 245 H 17.7069 13.6404 92.9432 -0.00190163 0.00137187 -0.00605004 42
12628 246 H 15.6581 13.0484 94.2478 0.00250837 0.00747732 -0.000935706 42
12629 247 H 16.0699 11.3488 94.2976 0.00150081 -0.00118865 0.00211427 42
12630 248 H 18.1454 11.8678 95.557 0.00135379 8.21069e-05 0.00397454 42
12631 249 H 17.8347 13.5559 95.4585 -0.00287562 -0.000651143 -0.00369077 42
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12634 252 H 15.8445 11.7591 96.9112 0.000280937 -0.00227616 -0.00389275 42
12635 253 H 24.5273 16.5347 81.9988 0.00560514 0.00685175 0.00304297 42
12636 254 H 22.7888 16.6108 82.4487 -0.00293642 0.000750001 0.00256494 42
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12638 256 H 25.027 15.2667 84.0921 0.0083027 0.00929099 0.0177456 42
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12645 263 H 24.0126 18.188 88.6959 -0.00642236 0.00217885 0.00424902 42
12646 264 H 23.3241 16.6268 89.206 0.00610552 -0.0137768 0.00113675 42
12647 265 H 25.582 15.5533 89.0333 0.0153527 -0.000960094 0.00817936 42
12648 266 H 26.3328 17.0503 88.6285 0.00355666 -0.00523518 0.00569315 42
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12650 268 H 25.8421 18.0674 90.7219 -0.00584618 0.000475464 -0.0168033 42
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12665 283 H 24.6397 6.16432 85.0264 0.010119 0.00276729 0.0107872 42
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12667 285 H 24.1328 8.82207 86.4253 0.00163007 0.00376129 0.00137894 42
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12669 287 H 25.2996 6.25888 87.672 -0.0151657 -0.00217734 0.00338543 42
12670 288 H 23.7268 7.20633 89.2009 0.0154424 -0.00928807 0.00378521 42
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12675 293 H 24.6861 9.02356 91.4055 -0.00263529 -0.00133739 0.00364941 42
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12677 295 H 26.1454 6.60469 92.6898 0.00557437 0.00214669 0.00148756 42
12678 296 H 24.347 7.60186 94.0508 0.00337249 0.00266366 0.00130606 42
12679 297 H 25.1568 9.20593 93.8956 0.00797724 0.00190395 0.00373181 42
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12685 1 C 27.8297 8.54973 80.6616 0.000574962 -0.00174793 0.000241488 43
12686 2 C 27.8715 8.371 79.2564 -0.00206328 -0.00134853 -0.00364921 43
12687 3 C 27.2434 7.25256 78.6845 0.00120434 -0.000815247 -0.00348265 43
12688 4 C 26.6985 6.3093 79.5235 0.000707312 -0.00121655 0.00245701 43
12689 5 C 26.6269 6.48442 80.9613 0.00157639 0.000638878 -0.00011072 43
12690 6 C 27.1469 7.66111 81.5113 -0.00115943 0.00252357 0.00344241 43
12691 7 C 22.0821 5.21226 80.6822 0.00168506 -0.00209519 0.00182085 43
12692 8 C 22.1776 5.11535 79.2625 -0.000976258 0.00399408 0.00130115 43
12693 9 C 23.4591 5.13132 78.6851 0.00307072 -0.00278859 0.00238002 43
12694 10 C 24.6068 5.11018 79.5038 0.00100591 0.00135772 -0.0014548 43
12695 11 C 24.4878 5.19948 80.8922 0.00116599 0.00164103 0.00217597 43
12696 12 C 23.1996 5.22236 81.4992 -0.00206449 -0.00160891 0.00172544 43
12697 13 C 27.8669 1.84579 81.2972 -0.000315764 0.000476017 0.00203848 43
12698 14 C 27.9383 1.7841 79.902 -0.000452191 8.83023e-05 -0.000368664 43
12699 15 C 27.3535 2.75516 79.1081 -0.00360617 0.000409768 0.00103066 43
12700 16 C 26.7189 3.87809 79.6914 -0.000667902 0.00232166 0.00200955 43
12701 17 C 26.057 5.03505 78.9705 0.00318781 0.00152674 -0.000414147 43
12702 18 O 27.3136 3.13178 83.2497 0.0020085 -0.000966375 -0.00266286 43
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12704 20 O 27.1313 7.8905 82.9124 0.0035371 -0.0013396 0.00169128 43
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12989 3 C 31.3695 14.0767 77.8665 0.000751879 0.000501198 0.000969924 44
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13029 43 C 29.369 8.79837 66.9148 0.00317197 0.000917683 0.00213719 44
13030 44 C 30.6901 8.81964 67.4056 8.17104e-05 -0.00432897 0.00128567 44
13031 45 C 26.2746 12.2757 67.2286 -0.00154268 0.00279484 0.002852 44
13032 46 C 26.2164 12.279 65.8262 0.000287915 0.00136487 4.78626e-05 44
13033 47 C 26.7522 11.213 65.1182 -0.000627737 0.00143887 0.000232692 44
13034 48 C 27.1841 10.0763 65.8148 -0.00486027 0.000189527 0.00169302 44
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13036 50 C 27.3408 10.0873 67.2372 -0.000326853 -0.00136433 0.00349825 44
13037 51 C 26.8141 11.1975 67.9166 -0.003574 -0.00209781 0.00129344 44
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13044 58 C 29.6956 7.24068 61.1936 -0.00232277 -0.000838563 0.00124774 44
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13048 62 C 28.4536 7.93257 56.518 0.00118418 0.000574668 6.42013e-05 44
13049 63 C 28.332 8.71727 55.1901 0.000941661 -0.0025282 0.000391768 44
13050 64 C 28.475 7.72898 54.0165 0.00448144 0.000203195 0.00207147 44
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13069 83 C 28.2606 11.5105 61.7064 0.00179661 -0.0011116 0.00125188 44
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13075 89 C 28.6358 13.2663 54.8083 -0.000953311 0.00047583 -0.00246278 44
13076 90 C 27.9795 13.1946 53.429 0.00140523 0.000554834 -0.00435453 44
13077 91 C 27.9799 11.7774 52.8044 0.00385586 0.00162181 -0.00247356 44
13078 92 C 27.5732 11.7496 51.3371 -0.00119139 -0.00074643 -9.53548e-05 44
13079 93 C 28.6347 12.4015 50.4171 -0.00185915 -0.00322509 -0.00515074 44
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13081 95 C 25.8318 12.2701 84.0465 -0.00133554 -0.000521726 0.000475731 44
13082 96 C 24.5517 12.5272 84.8775 0.000958129 0.000279766 0.00422575 44
13083 97 C 24.5295 11.7814 86.2784 0.00223946 -0.000865216 -0.000689722 44
13084 98 C 25.0306 12.6183 87.5167 0.00109128 -0.000311554 0.00549674 44
13085 99 C 24.6564 11.957 88.8504 -0.00086607 -0.00228665 0.0042217 44
13086 100 C 24.7975 12.8129 90.1106 0.00204584 0.00280945 0.00186367 44
13087 101 C 26.2746 12.8676 90.6513 0.00335307 -0.00325223 -0.0022618 44
13088 102 C 26.4051 13.0995 92.1827 -0.00262092 -0.00019895 -0.00459262 44
13089 103 C 25.8257 11.8809 92.9672 -0.00158768 0.00379675 0.000978484 44
13090 104 C 26.0969 11.9759 94.5178 -0.00102238 0.00197488 0.000649922 44
13091 105 C 25.4692 13.2315 95.1861 -0.000781733 -0.00227644 -0.000566967 44
13092 106 C 32.1322 14.9002 82.9119 -0.000882514 -0.00176063 -0.00181641 44
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13094 108 C 32.4912 16.989 84.5089 -0.00222756 -0.000337322 -0.00595093 44
13095 109 C 32.1902 16.2163 85.7455 0.00297237 -0.000716769 -0.00171647 44
13096 110 C 32.6153 16.8308 87.0855 -0.00193644 0.000758833 9.87074e-05 44
13097 111 C 33.9621 16.313 87.6921 0.00167864 0.0030315 0.000281701 44
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13102 116 C 34.1338 16.9302 94.0526 0.00510169 0.00357346 0.000990884 44
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13105 119 C 31.1426 8.41653 84.3795 -0.0028141 0.00620764 0.0014594 44
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13211 225 H 29.6674 12.0804 50.6012 0.00169047 0.00559081 -0.00956904 44
13212 226 H 28.6728 13.4966 50.4694 0.0125037 -0.00421422 0.0049981 44
13213 227 H 28.3679 12.2323 49.3665 -0.00501185 -0.0125187 -0.00283832 44
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13216 230 H 26.0237 11.1912 84.0979 0.0154436 0.00261086 0.00323392 44
13217 231 H 26.6772 12.8076 84.4934 -0.00324662 0.0011335 0.00210403 44
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13219 233 H 23.6898 12.1877 84.2899 0.000274679 0.00576913 0.00206133 44
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13225 239 H 25.2103 11.0181 88.9735 0.0122457 0.00545037 0.00434384 44
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13230 244 H 27.4742 13.2712 92.359 -0.00143318 -0.0158979 0.00328835 44
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13247 261 H 32.6158 17.9242 86.9967 -0.00620394 0.000303576 -0.00555 44
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13255 269 H 35.0009 16.2594 91.5471 -0.00545926 -0.00702274 -0.00663402 44
13256 270 H 34.5089 17.9192 91.4806 -0.00786218 0.00216533 -0.0208892 44
13257 271 H 32.3857 17.3381 92.722 -0.00433559 -0.0032428 -0.00397882 44
13258 272 H 32.9225 15.6455 92.8458 0.0134805 0.00222565 0.00106546 44
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13260 274 H 34.5047 17.9626 94.0518 0.00413078 0.00392353 0.00737007 44
13261 275 H 34.0073 16.7049 96.176 0.00188222 -0.000633029 0.00417093 44
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13264 278 H 31.6188 7.59 82.4794 0.0092219 0.00532336 -0.00726468 44
13265 279 H 32.7619 8.83844 83.0054 -0.00549893 0.0197761 -0.000843887 44
13266 280 H 30.3048 7.70854 84.3699 -0.00314127 0.00661161 0.00036494 44
13267 281 H 30.7266 9.34575 84.7881 -0.00884072 -0.00171976 0.0133752 44
13268 282 H 32.8635 8.6296 85.5935 0.00450331 0.00370354 -0.00972296 44
13269 283 H 32.7647 7.06117 84.7204 -0.0140978 -0.00750203 -0.00205325 44
13270 284 H 31.5468 6.0883 86.242 0.00872361 -0.00686262 0.0106673 44
13271 285 H 30.6938 7.49215 86.9286 -0.00425696 -0.00685147 0.00229599 44
13272 286 H 33.7144 7.20073 87.399 -0.00352976 -0.0178718 -0.0224461 44
13273 287 H 32.5097 6.27676 88.339 0.00898338 -0.0116124 -0.00563002 44
13274 288 H 31.929 9.17545 88.0551 0.00156822 0.00203654 0.000230352 44
13275 289 H 33.443 8.72886 88.9297 -0.000431064 0.00824515 -0.000470237 44
13276 290 H 30.7272 7.57021 89.7667 0.0063659 -0.00880058 -4.62093e-05 44
13277 291 H 31.3666 9.10526 90.3706 -0.00691683 0.00080324 -0.0144429 44
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13286 300 H 33.4207 5.99166 95.9677 -0.00529024 0.00462899 0.0133159 44
13287 301 H 33.4863 7.49916 96.9259 -0.0147755 -0.0157064 0.00463622 44
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13290 2 C 35.8051 8.28416 78.2587 -0.00301363 0.00507498 0.00476853 45
13291 3 C 35.2186 7.16968 77.6208 0.000157059 -0.000432307 0.00248334 45
13292 4 C 34.5413 6.23812 78.4169 -7.30215e-05 0.00206299 0.00266127 45
13293 5 C 34.4969 6.3402 79.8301 -0.00287042 0.00381249 -0.00463127 45
13294 6 C 35.0313 7.50952 80.4606 0.00290805 -0.000343534 0.00336192 45
13295 7 C 29.9478 5.20218 79.6495 0.0029946 0.00160135 0.00313124 45
13296 8 C 30.0185 5.1425 78.2639 0.00130987 -0.000703011 0.00265248 45
13297 9 C 31.2654 5.08931 77.6359 0.0012867 0.00282567 0.00627006 45
13298 10 C 32.4409 5.085 78.4141 -0.00167035 -0.0028026 0.000461937 45
13299 11 C 32.3485 5.18401 79.8228 -0.000241847 -0.000417392 -0.000390728 45
13300 12 C 31.0947 5.22034 80.4703 0.00170053 0.00166201 0.000555435 45
13301 13 C 35.5162 1.67837 80.0226 -0.00334858 -0.000928156 -0.00334021 45
13302 14 C 35.5167 1.64952 78.622 2.83073e-05 -0.000307664 -0.00354791 45
13303 15 C 35.0285 2.73591 77.8906 0.00264551 0.000446034 0.00213558 45
13304 16 C 34.4552 3.79905 78.5905 -0.00143026 0.00361338 -0.000278205 45
13305 17 C 33.8603 4.98934 77.8618 -0.00307157 -0.000672889 0.0027446 45
13306 18 O 35.1295 2.76638 82.121 -0.00232789 0.00274082 -0.000835375 45
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13308 20 O 34.8891 7.66943 81.7966 0.000313675 0.00136103 -0.000282219 45
13309 21 C 35.0194 2.77534 80.7512 0.00433807 -0.000167665 0.00238421 45
13310 22 C 33.9094 4.83114 76.4128 -0.00115405 0.0045996 0.00508723 45
13311 23 C 33.8254 4.54383 75.2462 -0.00181491 -0.00538377 -0.0006411 45
13312 24 C 33.4566 4.03087 73.9402 0.00115802 -0.000275169 0.00130676 45
13313 25 C 33.1249 4.92001 72.9146 -0.00111968 -0.00274 -0.00425672 45
13314 26 C 32.6405 4.43168 71.7175 -0.0010418 -0.000405559 -0.000926242 45
13315 27 C 32.5486 3.02746 71.5441 -0.0024698 -0.00368197 0.00217649 45
13316 28 C 32.9601 2.14184 72.5276 0.000355743 -0.00173883 0.00228901 45
13317 29 C 33.432 2.65149 73.7196 0.00157452 -0.00177214 -0.00592844 45
13318 30 C 32.1807 2.53289 70.2598 0.00746453 0.00225534 -0.00121281 45
13319 31 C 31.9639 2.25415 69.1001 0.00240079 0.00162186 0.00479399 45
13320 32 C 30.0288 -1.28972 67.0763 -0.00201092 0.0012581 0.00251412 45
13321 33 C 30.0056 -1.33352 65.671 0.0019051 -0.00541414 0.000942093 45
13322 34 C 30.6421 -0.326318 64.9111 0.0037166 -0.000757063 -0.00147041 45
13323 35 C 31.1316 0.803439 65.5905 0.000576549 -0.00255107 -0.000897136 45
13324 36 C 31.1482 0.855187 67.0359 0.000808474 -0.00488669 0.000599448 45
13325 37 C 30.5748 -0.195298 67.7768 -0.00206063 -0.000372978 0.000997975 45
13326 38 C 31.8273 2.14446 67.6241 -0.00637393 0.00162847 0.00386477 45
13327 39 C 35.6095 1.96924 66.8099 -0.000778507 0.00196448 0.00325395 45
13328 40 C 35.5648 2.00398 65.4235 -0.000529864 -0.00301485 -0.000510281 45
13329 41 C 34.3278 1.98081 64.7879 -0.0039959 0.00121966 -0.0035007 45
13330 42 C 33.1538 2.07945 65.5545 -0.000290344 -0.00185465 -0.00083862 45
13331 43 C 33.1946 2.13232 66.9341 0.000745389 -0.00308966 0.00180682 45
13332 44 C 34.4187 1.96776 67.555 -0.00531178 -0.00350378 0.00457876 45
13333 45 C 29.6609 5.23337 66.8234 0.000591011 -0.000466044 0.00336769 45
13334 46 C 29.5351 5.0929 65.4221 -0.000548036 -0.00190537 0.00284231 45
13335 47 C 30.2354 4.06362 64.7943 -6.31014e-05 0.000112906 -2.60005e-05 45
13336 48 C 30.9874 3.1609 65.5653 -0.00367095 0.000769259 -0.00015716 45
13337 49 C 31.7731 2.00718 64.9411 -0.00243667 0.0030894 0.00111026 45
13338 50 C 31.07 3.27975 66.9677 -0.00075441 -0.00173224 0.00483157 45
13339 51 C 30.4091 4.32332 67.6002 -0.00430886 -0.0016219 -0.00485119 45
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13342 54 O 30.2948 4.02978 63.4126 -0.000856914 0.00633669 0.0013314 45
13343 55 C 33.7331 5.18267 80.4962 -0.00216794 -0.00335683 0.00358083 45
13344 56 C 34.4747 3.87863 80.0226 0.00169333 0.00128649 -0.00296874 45
13345 57 C 34.9542 0.911161 62.6833 -0.00329454 0.00122782 -0.00133491 45
13346 58 C 35.1033 1.41718 61.2435 0.00521749 -0.00355883 -0.0012475 45
13347 59 C 33.8591 1.14505 60.3314 0.00380324 -0.00506231 0.00309861 45
13348 60 C 34.122 1.67993 58.9249 0.000697943 -0.000676246 -0.00202059 45
13349 61 C 33.017 1.23634 57.9858 0.00307248 0.00242582 -1.81473e-05 45
13350 62 C 33.2996 1.87785 56.6259 -0.00538668 -0.00394199 -0.00414183 45
13351 63 C 32.6124 1.06935 55.5424 -0.00432952 0.000931837 0.0020688 45
13352 64 C 32.6926 1.64555 54.1175 -0.00136963 0.00202221 0.00214825 45
13353 65 C 31.7576 0.877221 53.2015 0.00437339 -0.00129176 0.00157027 45
13354 66 C 31.6097 1.39286 51.7562 0.00015689 0.000365787 -0.00298246 45
13355 67 C 32.8226 1.04934 50.871 -0.0025751 -0.00196557 -0.00216016 45
13356 68 C 32.5806 1.61188 49.4508 -0.00195416 0.00321925 8.34583e-05 45
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13358 70 C 31.0021 -1.7142 62.9631 -0.000822181 0.00377737 0.00353191 45
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13360 72 C 31.2733 -1.5224 60.3138 -0.00151177 -0.00358091 0.00237951 45
13361 73 C 31.942 -2.31479 59.1372 0.00142542 -0.00395028 0.000809882 45
13362 74 C 31.3612 -2.08452 57.7227 0.0011037 -0.00355876 -0.000206315 45
13363 75 C 31.9758 -3.03293 56.6832 -0.00134939 -0.00280021 0.00208432 45
13364 76 C 31.6512 -2.67969 55.1962 0.00298524 -0.00176669 -0.00247965 45
13365 77 C 32.4751 -3.50067 54.1897 -0.00105035 0.00470508 0.00389727 45
13366 78 C 32.3209 -3.01726 52.728 -0.00105716 -0.00438122 -0.00114407 45
13367 79 C 33.0908 -3.8577 51.7117 0.000293816 0.0030829 0.00154211 45
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13369 81 C 31.6386 -3.8223 49.6058 0.0035775 -0.00058634 0.00159895 45
13370 82 C 29.4709 3.14158 62.6471 -0.00196717 -0.00120741 -0.00115725 45
13371 83 C 30.3769 2.57534 61.5011 -0.00394037 -0.00333905 -0.00234599 45
13372 84 C 30.2406 3.29402 60.1454 0.00278698 -0.00247995 -0.00226299 45
13373 85 C 28.8743 3.07294 59.5363 0.00276482 0.0028291 0.00186389 45
13374 86 C 28.6886 3.57792 58.1201 0.00229311 -0.000919208 0.00451605 45
13375 87 C 29.5594 2.94037 57.0398 0.00148029 0.00194016 0.00120999 45
13376 88 C 28.8472 2.83359 55.6616 0.000576898 0.000983787 -0.000759253 45
13377 89 C 28.6722 4.18378 54.9622 -0.00185372 -0.000860035 0.00265916 45
13378 90 C 27.9849 4.06345 53.5753 -0.00276023 0.00383917 -0.00103947 45
13379 91 C 28.8088 3.41319 52.4864 0.00251464 -0.000110742 0.000654845 45
13380 92 C 28.0415 3.45618 51.1258 -0.00269404 0.00309941 0.00160626 45
13381 93 C 28.8315 3.04956 49.8671 -0.00119818 -0.00017608 -7.52027e-05 45
13382 94 C 29.8 5.71828 82.4331 -0.00305845 0.000964036 -0.000588026 45
13383 95 C 29.6692 5.18051 83.8699 -0.00127118 0.00202792 -0.00259879 45
13384 96 C 28.3618 5.57405 84.6049 0.000584863 -6.14131e-06 0.00321409 45
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13409 121 C 37.0432 0.996853 86.4157 0.00228911 0.000954415 0.00154455 45
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13495 207 H 30.4054 4.3718 60.2664 -0.000431841 7.90876e-05 -0.020733 45
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13501 213 H 30.5452 3.41685 56.9735 -0.00135864 0.00825563 0.00441541 45
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13508 220 H 27.7398 5.0701 53.2147 -0.00569761 0.00175281 -0.00486004 45
13509 221 H 29.8099 3.85221 52.3945 0.00228521 0.000790187 0.00250019 45
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13511 223 H 27.1773 2.78047 51.1266 0.0102042 -0.0134018 0.0087632 45
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13521 233 H 27.5438 5.47436 83.8808 0.00272158 0.00205798 0.000504764 45
13522 234 H 26.9361 4.75807 86.0267 -0.000222952 0.00877306 0.00378966 45
13523 235 H 28.4718 3.85294 85.9243 0.00669984 0.000761789 -0.00927901 45
13524 236 H 29.69 5.34379 87.1317 -0.00321613 0.000205801 -0.01915 45
13525 237 H 28.4616 6.62082 87.1067 0.0160591 -0.000118677 0.00572549 45
13526 238 H 26.9653 5.03613 88.6006 -0.00106069 -0.0134836 0.00437096 45
13527 239 H 28.2088 3.86322 88.4723 -0.00965031 -0.00178678 0.00671921 45
13528 240 H 29.8304 5.61693 89.6051 -0.00650694 -0.0122753 -0.013923 45
13529 241 H 28.4198 6.70052 89.6027 -0.0230002 -0.00672189 -0.00623309 45
13530 242 H 27.3234 5.13812 91.2297 -0.00542668 -0.0125147 -0.00836719 45
13531 243 H 28.6047 3.98458 90.9817 -0.00178837 -0.0022214 0.00123243 45
13532 244 H 30.2565 5.47626 91.989 -0.00153026 -0.0168618 -0.0145359 45
13533 245 H 29.0209 6.75186 92.2076 0.00853125 -7.72694e-05 0.0142817 45
13534 246 H 27.7081 5.1483 93.6577 0.00155649 0.0173358 0.0193561 45
13535 247 H 28.8702 3.92571 93.4524 0.00971776 0.00548188 -0.00680706 45
13536 248 H 30.7012 5.29187 94.5627 0.00105543 0.0207799 -0.00189139 45
13537 249 H 29.4911 6.58096 94.6994 -0.0062146 -0.00277097 0.00960676 45
13538 250 H 29.8637 5.21309 96.8588 0.00640828 0.0152259 -0.00753096 45
13539 251 H 28.2088 5.53756 96.3802 -0.00233991 0.00178181 -0.0090328 45
13540 252 H 28.8681 3.94595 96.0603 -0.000331451 -0.00376295 -0.00719429 45
13541 253 H 36.5416 8.90022 82.2356 -0.00325147 -0.0113375 0.00351842 45
13542 254 H 34.917 9.67077 82.0055 -0.00250358 -0.00768828 -0.000291042 45
13543 255 H 34.3326 9.54574 84.1344 0.00934177 0.0119666 0.00022643 45
13544 256 H 34.8085 7.85904 84.2994 0.00169542 -0.00497261 -0.00421541 45
13545 257 H 36.9474 8.44521 84.9943 0.0127806 0.0131797 0.00803861 45
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13547 259 H 35.543 10.7353 86.3371 -0.0156056 -0.00423398 0.0115642 45
13548 260 H 34.9708 9.06955 86.597 -0.000751951 -0.00214068 0.00129287 45
13549 261 H 37.3339 8.47128 87.3954 0.00566454 0.00276262 0.0119828 45
13550 262 H 37.7522 10.1669 87.1954 0.00550955 -0.00653296 -0.00424076 45
13551 263 H 36.1455 10.9649 88.7922 -0.00509624 -0.0041033 0.00667493 45
13552 264 H 35.3554 9.40655 88.9096 -0.00298189 0.0069102 0.005703 45
13553 265 H 37.4867 8.5243 89.9801 0.00513075 0.00512863 0.00304097 45
13554 266 H 38.1881 10.1331 89.7942 -0.00160787 0.00279274 0.00927286 45
13555 267 H 36.3962 11.0881 91.2961 0.00271424 -0.00202973 -0.0101107 45
13556 268 H 35.5142 9.57818 91.288 0.00184216 -0.00702333 0.01073 45
13557 269 H 37.4551 8.48244 92.5094 0.00213139 0.00476339 0.00233785 45
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13559 271 H 36.317 11.0825 93.7784 0.0156791 0.00127846 -0.000403362 45
13560 272 H 35.3798 9.57018 93.6241 -0.00156164 0.00728506 0.00234156 45
13561 273 H 37.0329 8.4499 95.2522 0.00286934 0.00610662 0.0139869 45
13562 274 H 37.794 10.034 95.4581 0.00607745 -0.00195516 -0.00472652 45
13563 275 H 36.1425 9.89887 97.272 0.00974886 -0.0064702 -0.0060002 45
13564 276 H 35.7284 11.124 96.1188 -0.000777901 0.00132622 -0.0105549 45
13565 277 H 34.8577 9.56466 96.0316 0.00455756 -0.00298778 -0.00466769 45
13566 278 H 35.0291 0.723097 82.6941 0.00706411 -0.00943937 0.0017356 45
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13568 280 H 35.0189 2.198 84.7611 0.00790436 -0.00488505 0.0100888 45
13569 281 H 36.6586 2.71944 84.3264 0.00789289 -0.000594735 0.00685071 45
13570 282 H 37.4051 0.27865 84.3987 -0.0040964 0.00658957 -0.00178132 45
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13574 286 H 35.7866 -0.438992 87.5109 0.00825928 -0.00188381 0.0151545 45
13575 287 H 35.1877 1.20245 87.656 -0.00677047 -0.012316 -0.0171452 45
13576 288 H 36.9814 1.93111 88.9861 0.00689808 -0.000642964 -1.89295e-05 45
13577 289 H 37.6791 0.25808 88.9068 0.00413215 0.0113173 0.00261486 45
13578 290 H 35.5724 -0.625235 90.0219 -0.00323035 0.000806282 0.00250804 45
13579 291 H 34.9145 1.01973 90.063 0.00702858 -0.00175079 0.00663412 45
13580 292 H 36.7592 1.69923 91.625 -0.0101967 0.00675253 0.000448516 45
13581 293 H 37.4389 0.0743754 91.4721 -0.0102474 -0.0195225 0.0139641 45
13582 294 H 35.4655 -0.967417 92.4956 -0.00856886 0.000887044 -0.00421562 45
13583 295 H 34.7308 0.603352 92.707 0.000267651 0.00563785 0.00860122 45
13584 296 H 36.8588 1.35044 94.0455 0.0110371 0.00132018 -0.0177424 45
13585 297 H 37.3986 -0.287373 93.9536 -0.00483231 -0.0104696 8.45801e-05 45
13586 298 H 35.7257 -1.1432 95.3537 0.0193185 0.000133769 0.00310466 45
13587 299 H 34.7163 0.229329 95.3385 0.00469504 0.00420921 -0.0146767 45
13588 300 H 36.4573 1.55915 96.5208 -0.00962096 0.000967818 -0.0116995 45
13589 301 H 37.5773 0.167694 96.6143 0.000593107 -0.00463906 -0.00487034 45
13590 302 H 36.0425 0.121113 97.4839 0.00847066 0.00893363 0.00553829 45
13591 1 C 39.7063 15.1528 79.2738 0.00202795 -0.00109484 0.000447618 46
13592 2 C 39.7331 15.0007 77.9008 0.00226565 0.000884944 0.00353537 46
13593 3 C 39.1222 13.8753 77.3448 0.00167168 0.00056215 0.00393008 46
13594 4 C 38.5024 12.9408 78.1492 -0.00266378 0.0012697 -0.000378555 46
13595 5 C 38.4951 13.1054 79.5578 0.00133014 0.00523095 0.000162006 46
13596 6 C 39.0953 14.233 80.1419 0.00263441 -0.000336099 -0.00104084 46
13597 7 C 33.9369 11.9132 79.5983 0.0047355 -0.00167376 -0.00254769 46
13598 8 C 33.9945 11.7226 78.2252 5.994e-06 -0.00291941 0.000384499 46
13599 9 C 35.2003 11.7056 77.5733 0.00387111 0.0023893 0.00017311 46
13600 10 C 36.4079 11.766 78.3118 0.00101179 -0.00363899 -0.000318244 46
13601 11 C 36.3563 11.9612 79.7086 -0.000846027 -0.000848766 0.00232023 46
13602 12 C 35.1079 12.0333 80.3826 -0.00222955 0.00303146 0.00263528 46
13603 13 C 39.5619 8.53041 79.8989 -0.000602917 -0.00335856 0.00643047 46
13604 14 C 39.7288 8.52071 78.515 0.00024961 0.00111879 -0.000860456 46
13605 15 C 39.1465 9.50921 77.751 -0.00647164 0.00281834 8.06494e-06 46
13606 16 C 38.4221 10.5065 78.3961 -0.00257493 0.00228862 0.00131625 46
13607 17 C 37.795 11.6633 77.6664 -0.000536847 -0.00145171 0.00332243 46
13608 18 O 38.856 9.59395 81.9502 0.00133551 0.00188452 -0.003461 46
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13701 111 C 40.8562 17.0384 87.9971 0.000514108 0.00312847 -0.00256182 46
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13710 120 C 40.5033 7.17723 84.4826 0.00181085 0.00570546 0.00475476 46
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13712 122 C 40.2808 7.1291 87.101 0.00306603 0.00452159 0.000316383 46
13713 123 C 40.1916 7.98341 88.3861 -0.0028888 -0.00122116 0.000605399 46
13714 124 C 40.1206 7.12139 89.6753 -0.00127169 0.00273354 -0.00257378 46
13715 125 C 40.2458 7.89753 91.0107 0.000878267 0.00264806 0.00396284 46
13716 126 C 40.0276 7.01529 92.2397 -0.00405211 -0.00309662 -0.00466418 46
13717 127 C 40.3726 7.74839 93.5548 0.00224828 0.00289048 -0.000999454 46
13718 128 C 40.0835 6.82954 94.7509 -0.0060599 -8.44523e-05 0.000183514 46
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13860 270 H 40.2949 15.5857 91.9344 0.000956614 0.00182954 0.00691296 46
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13902 10 C 40.3185 4.89518 78.4984 0.00092605 0.000440047 0.000983101 47
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13904 12 C 38.9019 5.04953 80.5034 -0.000567304 -0.000629385 0.00253228 47
13905 13 C 43.6646 1.65071 79.9484 -0.000692756 -0.00385381 -0.00276587 47
13906 14 C 43.7688 1.72406 78.5526 -0.0048259 0.000424999 0.00248559 47
13907 15 C 43.1699 2.7698 77.8633 -0.00137749 -0.00495458 -0.000237822 47
13908 16 C 42.4784 3.73815 78.5792 -0.00276324 -0.00384772 -0.000385312 47
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13920 28 C 39.9844 4.34307 71.9234 6.08938e-05 0.00053062 -0.00228358 47
13921 29 C 40.3115 4.77814 73.199 -0.00301612 -0.0026067 4.22832e-05 47
13922 30 C 40.2663 2.81253 70.0264 0.00251956 -0.001224 -0.00329265 47
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13929 37 C 38.5328 0.028473 67.8853 0.00195153 -0.00294379 0.000344586 47
13930 38 C 39.7798 2.26023 67.4653 -0.000656612 0.00168699 -0.00658279 47
13931 39 C 43.4425 2.0651 66.1678 -0.00583323 0.00161545 0.00283159 47
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13934 42 C 40.819 2.20776 65.2069 -0.000175897 -0.00239287 -0.00105845 47
13935 43 C 41.0691 2.24076 66.5862 -0.00214571 -0.001237 -0.00226685 47
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13938 46 C 37.4455 5.34854 65.4095 -0.00115243 0.000172097 0.000684219 47
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13950 58 C 41.1408 2.05207 60.6391 0.000572743 0.00354367 0.000715339 47
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14510 14 C 4.27198 15.1661 78.7756 0.000592788 -0.00403262 -0.00115779 49
14511 15 C 3.71595 16.1939 77.9968 0.0040444 -0.00276822 0.00142819 49
14512 16 C 3.05045 17.2569 78.6356 -0.00174799 0.000838746 -0.00135553 49
14513 17 C 2.40388 18.4069 77.8634 -0.00242213 -0.00446131 -0.000512591 49
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15214 114 C 13.3693 22.8719 91.4039 -0.000708385 -1.77853e-05 0.00104352 51
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15298 198 H 9.51288 8.23468 50.8316 0.0087791 0.00481824 0.0110804 51
15299 199 H 7.87934 8.85066 51.1747 -0.000897942 0.00118181 0.000170279 51
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15301 201 H 8.08643 9.50424 48.9429 -0.00092742 -0.0115478 0.00845796 51
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15311 211 H 5.81498 18.5608 57.1627 0.0053127 -0.000583378 0.0101139 51
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15313 213 H 4.94261 15.7144 56.1769 -0.00847691 0.00468934 0.00549361 51
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15317 217 H 4.78736 15.3777 53.6513 -0.00985299 0.000173683 0.0139819 51
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15319 219 H 5.74904 17.8049 52.0769 0.00480716 -0.00367722 0.00487416 51
15320 220 H 6.51437 16.1836 52.1949 0.00297014 0.00669061 0.00436702 51
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15324 224 H 5.40867 17.8692 49.4988 0.00183041 0.00266098 0.00881656 51
15325 225 H 7.57716 16.9087 50.3421 -0.00920386 -0.00253418 0.00897831 51
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15330 230 H 6.37327 17.8191 83.9128 -0.0110883 -0.00197593 0.00215005 51
15331 231 H 6.83383 19.4932 83.9566 0.000533862 -0.00341522 0.000638276 51
15332 232 H 4.36359 20.1007 83.7413 0.00364921 -0.00288194 0.000771458 51
15333 233 H 3.97924 18.435 83.8951 0.00241398 -0.00197615 0.00587547 51
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15339 239 H 6.49693 18.9677 88.1505 0.00185875 -0.000961372 -0.00301218 51
15340 240 H 4.27856 20.1854 88.3253 0.0151187 0.00432196 0.00159021 51
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15342 242 H 6.01636 19.9932 90.0847 0.00267906 -0.00520519 0.00995978 51
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15345 245 H 5.45685 17.6875 91.0961 0.00735191 0.00230953 0.00301249 51
15346 246 H 6.4984 19.4434 92.4736 -0.00098272 -0.000254248 0.00407598 51
15347 247 H 4.91792 20.1956 92.7223 0.00507094 0.00274804 -0.0010497 51
15348 248 H 4.08809 18.063 93.7969 0.000481044 0.00611367 0.00481739 51
15349 249 H 5.81515 17.4957 93.7609 0.00551841 0.00335237 -0.00981558 51
15350 250 H 4.68624 19.8513 95.2892 0.00181145 -0.000372234 -0.00333836 51
15351 251 H 5.31219 18.3234 95.9748 -0.00682817 0.00550223 0.00435365 51
15352 252 H 6.42622 19.3911 95.1852 -0.00187535 0.00179501 0.00532562 51
15353 253 H 10.8702 22.9442 81.9424 -0.000686315 -0.00626697 -0.00204029 51
15354 254 H 10.9689 21.9327 83.4553 0.00360221 0.0137035 0.00411913 51
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15356 256 H 13.1789 23.2361 81.8572 0.0134992 0.00589765 0.0087399 51
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15358 258 H 12.7117 24.5033 83.8375 0.00406769 0.00186026 -0.00382776 51
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15360 260 H 12.949 21.8619 85.4641 -0.0143654 0.00225327 0.00956948 51
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15363 263 H 12.4343 24.8664 88.107 0.00891599 -0.00454654 -0.0031769 51
15364 264 H 11.3224 23.6592 87.5131 -0.00999089 0.0071158 0.0122489 51
15365 265 H 11.935 22.3814 89.2972 -0.00961126 0.0182403 0.00513553 51
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15367 267 H 14.4596 23.9689 89.9633 0.0038291 -0.00791344 -0.00946562 51
15368 268 H 12.8354 24.6352 90.2123 -0.00190894 -0.00332013 0.00165587 51
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15370 270 H 14.0432 22.0182 91.2612 -0.0133115 -0.0108657 0.00658561 51
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15376 276 H 12.8395 23.8152 96.0021 0.00326049 -0.00641919 -0.000289668 51
15377 277 H 14.5058 23.81 95.4776 -0.00299478 -0.00397543 0.00450965 51
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15379 279 H 13.0279 14.5357 82.4577 0.00682184 0.00297912 0.00663885 51
15380 280 H 11.6314 15.6616 84.9291 -0.00968496 -0.00939066 -0.00332359 51
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15384 284 H 14.1736 14.7566 86.6451 -0.001335 -0.00110698 0.0106804 51
15385 285 H 13.5841 13.0981 86.8649 -0.00398401 0.00287008 0.00821204 51
15386 286 H 11.2778 13.9519 87.184 -0.00305743 0.00179678 0.010066 51
15387 287 H 11.921 15.6409 87.2436 0.000769094 -0.0019286 -0.00423459 51
15388 288 H 12.767 13.2832 89.1486 0.000612927 0.000977235 0.00419298 51
15389 289 H 11.5045 14.4415 89.5024 -0.00101967 0.00454082 0.00234569 51
15390 290 H 13.1383 16.3234 89.4609 0.00575289 0.00353526 -0.00442596 51
15391 291 H 14.3999 15.1778 89.0084 -0.00669063 0.000109596 -0.00946878 51
15392 292 H 14.6572 15.4448 91.3419 4.16881e-05 0.00548634 0.0036651 51
15393 293 H 13.92 13.8867 91.1768 0.0042439 -0.00211369 -0.00981955 51
15394 294 H 11.6778 14.6686 91.717 -0.000204862 -0.007418 0.00356091 51
15395 295 H 12.2655 16.3343 91.9794 -0.00162308 0.00103636 0.0209225 51
15396 296 H 12.8341 13.8349 93.6513 -0.00597004 0.00421478 0.00585897 51
15397 297 H 12.0452 15.3542 94.0105 0.00240996 0.00434402 0.00564109 51
15398 298 H 14.3532 16.5364 93.6102 -0.0102009 0.00092707 0.00559005 51
15399 299 H 15.1018 14.9606 93.5765 0.00138804 0.00173424 0.00399763 51
15400 300 H 13.8899 14.4942 95.8884 0.00928278 0.00290007 0.00732343 51
15401 301 H 13.5256 16.2441 95.9123 0.00842949 -6.35994e-05 0.0105577 51
15402 302 H 15.2483 15.6751 95.8007 0.0034131 -0.0159882 0.00803626 51
15403 1 C 16.1292 28.6474 79.8068 -0.00181577 0.0030526 0.00426993 52
15404 2 C 16.1563 28.5465 78.4017 -0.00241569 0.000761682 0.00124671 52
15405 3 C 15.5747 27.4855 77.724 -0.000248271 -0.00292076 0.00189595 52
15406 4 C 15.0099 26.477 78.5112 0.000781995 -0.00348779 -0.000626411 52
15407 5 C 14.9264 26.5482 79.918 -0.00349311 0.0036317 -0.0071457 52
15408 6 C 15.4598 27.68 80.5455 0.000941276 -0.00316016 0.00297617 52
15409 7 C 10.4611 25.3351 79.647 0.00198809 -0.00299227 0.00171381 52
15410 8 C 10.5061 25.2479 78.2468 -0.00347291 0.00249637 0.00161728 52
15411 9 C 11.7505 25.0979 77.6562 0.00284926 -2.3843e-05 0.000495998 52
15412 10 C 12.9206 25.2329 78.4778 -0.0024012 -0.00269107 -0.00121262 52
15413 11 C 12.8533 25.2801 79.8914 -0.00555613 0.000572968 0.00267055 52
15414 12 C 11.5557 25.2775 80.5005 -0.000186634 0.00278858 0.00438377 52
15415 13 C 16.2926 21.9783 79.9268 -0.00147947 -0.0022606 0.000719825 52
15416 14 C 16.3429 22.0324 78.5256 0.00112923 -0.00253488 0.00010755 52
15417 15 C 15.7091 23.0637 77.8096 -0.00195774 0.00136376 0.00674832 52
15418 16 C 15.0202 24.0168 78.5468 0.00617422 0.00388851 -0.001353 52
15419 17 C 14.3312 25.2501 77.8862 0.000247939 0.00216606 0.00216224 52
15420 18 O 15.6907 22.8283 82.1066 -0.0019655 -0.00498391 -0.000283913 52
15421 19 O 11.3368 25.308 81.8538 0.00171694 0.000368937 0.000551089 52
15422 20 O 15.3183 27.8433 81.922 -0.0021474 -0.000561412 0.00258941 52
15423 21 C 15.6626 22.96 80.7004 0.00272354 -0.000782297 -0.00248521 52
15424 22 C 14.3692 25.1533 76.4099 -0.000285512 -0.00482453 0.00344889 52
15425 23 C 14.2837 24.9268 75.2216 0.00178448 -0.00266432 -0.000490586 52
15426 24 C 13.9907 24.4496 73.8947 -0.00105624 -0.0014061 0.0010778 52
15427 25 C 13.9153 25.34 72.8119 0.00159045 -0.00182141 0.001768 52
15428 26 C 13.4412 24.8685 71.5875 0.00197807 -0.00137781 0.000147106 52
15429 27 C 13.1255 23.5091 71.3837 0.000190178 0.0011666 -0.0076781 52
15430 28 C 13.3282 22.6195 72.4595 0.00251751 0.00555575 0.00411652 52
15431 29 C 13.7043 23.0798 73.7127 -0.000343896 -0.000488525 -0.000323274 52
15432 30 C 12.7863 23.0672 70.08 -0.00216589 -0.00447266 0.00182331 52
15433 31 C 12.5387 22.7868 68.9371 0.00220727 -0.00190009 0.000191163 52
15434 32 C 10.1978 19.2859 67.4669 0.000432234 -0.00301816 -0.00658462 52
15435 33 C 10.1538 19.0985 66.0667 0.00199138 0.00231587 0.000388428 52
15436 34 C 10.7823 19.9868 65.1852 0.00322371 0.00403333 0.00108352 52
15437 35 C 11.439 21.1204 65.6994 0.00214513 0.00280519 -0.000180498 52
15438 36 C 11.5029 21.2776 67.1133 0.00415304 0.00371076 0.00159362 52
15439 37 C 10.9386 20.3545 67.9904 -0.00221097 0.00024361 0.00129668 52
15440 38 C 12.2827 22.538 67.5162 -0.00610402 -0.00216739 -0.00132819 52
15441 39 C 16.0772 22.4498 66.5481 -0.00245143 -0.00128277 0.000172942 52
15442 40 C 15.9689 22.3634 65.1555 -0.0016469 0.000327164 -0.00172939 52
15443 41 C 14.7056 22.2413 64.5972 -0.00191948 0.00566242 -0.00720586 52
15444 42 C 13.5426 22.2366 65.3752 0.00237979 -0.00575791 -0.00367088 52
15445 43 C 13.6371 22.369 66.7834 0.00494901 -0.000548172 -0.00338015 52
15446 44 C 14.9344 22.4631 67.3691 -0.00214243 0.00170963 -0.000455102 52
15447 45 C 10.3828 25.8052 66.5522 0.00021855 -0.00213816 0.0050273 52
15448 46 C 10.4601 25.7141 65.1611 -0.00749171 -0.000971896 -0.000947314 52
15449 47 C 10.9635 24.5597 64.5735 0.000871003 0.00488912 0.000585115 52
15450 48 C 11.5203 23.5578 65.4108 -0.00107197 0.00171821 0.00404109 52
15451 49 C 12.0916 22.2365 64.8879 -0.00286283 -0.00255713 0.00174719 52
15452 50 C 11.5747 23.7214 66.7808 -0.00140346 0.000772725 -0.00571874 52
15453 51 C 10.984 24.8643 67.3787 -0.00614783 -0.00179304 -0.00103342 52
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15456 54 O 11.0748 24.5145 63.1863 0.00152275 -0.00156636 0.00363813 52
15457 55 C 14.2329 25.3052 80.5683 0.00114656 -0.00408379 0.000706512 52
15458 56 C 15.0179 24.0411 79.9776 8.16849e-05 -9.69315e-05 -0.00362805 52
15459 57 C 13.9064 21.2902 62.4321 0.00233554 0.00291541 0.00131591 52
15460 58 C 13.2257 22.0903 61.3115 0.000317645 -0.00145621 -0.00137602 52
15461 59 C 13.1043 21.3576 59.9799 -0.00176289 -0.0012205 -0.00325472 52
15462 60 C 12.6104 22.2278 58.7896 -0.000820856 -0.0023773 -0.00110303 52
15463 61 C 12.8546 21.4403 57.4606 -0.00359315 -0.00458733 0.00125141 52
15464 62 C 12.2328 22.1866 56.2802 0.00186789 -0.00394086 0.00359896 52
15465 63 C 12.5142 21.3835 54.9831 -0.00340411 -0.000396341 0.00108876 52
15466 64 C 12.078 22.1095 53.6948 -0.00097688 -0.00184593 -0.00211085 52
15467 65 C 12.5356 21.3796 52.4242 -0.00257179 0.002939 0.000661684 52
15468 66 C 11.7294 21.8011 51.1769 0.00116128 0.00223186 0.000230719 52
15469 67 C 12.2247 21.1406 49.863 -0.00628952 0.000919002 -0.000847326 52
15470 68 C 13.682 21.4746 49.474 0.00290069 -0.00538747 0.000585078 52
15471 69 F 13.3262 25.7035 70.5306 -0.0041437 -0.0015587 0.0028634 52
15472 70 C 9.79243 19.2345 63.0471 -0.00213334 -0.000149877 -0.00259368 52
15473 71 C 10.0593 19.7477 61.5985 0.00180542 0.000456298 -0.00132102 52
15474 72 C 9.18521 19.2369 60.4501 -6.91131e-05 -0.000536367 0.00297059 52
15475 73 C 9.69773 19.7224 59.082 -0.00342701 0.00399151 0.00108227 52
15476 74 C 8.79733 19.3 57.9174 -0.00237677 -0.00207961 0.00258592 52
15477 75 C 9.52185 19.6532 56.6137 -0.00220659 -0.00167056 -0.000789931 52
15478 76 C 8.69555 19.148 55.4472 0.00264001 -0.0026302 -0.00145784 52
15479 77 C 9.0758 19.7172 54.0914 0.000889247 0.00133032 0.00336637 52
15480 78 C 8.08764 19.146 53.0204 0.00313411 0.00103505 -0.0006373 52
15481 79 C 8.38397 19.5147 51.5133 0.00108551 -0.000494496 -0.00271492 52
15482 80 C 9.54177 18.7552 50.889 -0.00131093 -0.00207899 -0.00458246 52
15483 81 C 9.59771 19.0544 49.3773 -0.000620122 0.00220936 0.000312743 52
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15485 83 C 11.9573 25.3801 61.0631 -0.000513326 -0.00272744 0.00664777 52
15486 84 C 13.0628 26.1669 60.3156 -0.000507954 0.00088239 0.00284066 52
15487 85 C 12.6886 26.7125 58.9088 -0.00278739 0.00248755 0.00278133 52
15488 86 C 12.5618 25.7205 57.7422 0.00109583 -0.00324556 -0.00166638 52
15489 87 C 12.2935 26.4969 56.4183 0.0015639 7.24165e-06 0.00099521 52
15490 88 C 12.4621 25.6484 55.1504 -0.0033987 -0.00184543 -0.00212883 52
15491 89 C 12.4171 26.5279 53.8634 0.0017694 0.00399354 0.00716538 52
15492 90 C 12.4049 25.7487 52.5691 0.00453671 0.00242302 0.00694161 52
15493 91 C 12.1613 26.6628 51.329 0.0011194 0.00212589 -0.000688235 52
15494 92 C 11.8016 25.8469 50.0664 0.000490443 -0.000442638 -0.00294204 52
15495 93 C 13.0273 25.0131 49.6676 -0.00284719 0.00179164 -0.00337049 52
15496 94 C 9.99705 25.3846 82.4431 0.0027011 -0.00364362 -0.00105046 52
15497 95 C 9.97115 25.0364 83.9406 0.0034494 -0.000550578 -0.00304037 52
15498 96 C 8.61462 25.4103 84.6267 0.00240533 -0.00482384 -0.000685793 52
15499 97 C 8.58235 25.1824 86.1461 -0.00247696 -0.00202145 -0.000208289 52
15500 98 C 9.47004 26.0983 87.0347 -0.000626803 -0.000657632 0.00425541 52
15501 99 C 9.004 26.0776 88.4828 -0.00330981 -0.00062803 0.00282773 52
15502 100 C 10.0635 25.6389 89.5305 -0.00254061 -0.00427581 0.00509784 52
15503 101 C 9.52298 25.8115 90.9952 0.00118337 -0.00116127 -0.00367559 52
15504 102 C 10.6229 25.2762 91.97 0.00117708 0.000303531 -0.00229446 52
15505 103 C 10.5585 25.8379 93.4068 -0.00240667 -0.000253796 0.000331763 52
15506 104 C 9.61362 25.1628 94.4036 0.0012107 -0.00189451 0.000435822 52
15507 105 C 9.81599 25.7156 95.8146 0.00152673 -0.00118147 1.29512e-05 52
15508 106 C 15.359 29.1117 82.6229 0.000290539 0.00315657 0.000639654 52
15509 107 C 16.7808 29.4536 83.071 0.00413852 0.000195361 0.00144843 52
15510 108 C 16.9972 30.6049 84.1066 -0.00188985 -0.00582509 0.000658117 52
15511 109 C 16.5459 30.1142 85.5096 0.00420386 0.00336716 -0.000251777 52
15512 110 C 16.938 31.0183 86.6915 -0.000317626 -0.00600192 -0.00291179 52
15513 111 C 16.3625 30.4397 87.9982 -0.001676 0.000945899 0.00183521 52
15514 112 C 17.1205 31.0516 89.2357 -0.000161579 0.000648598 -0.000752516 52
15515 113 C 16.687 30.4288 90.5625 -0.000637343 -0.00217198 -0.00169683 52
15516 114 C 17.5732 30.775 91.7754 0.00300814 -0.00262364 -0.000265607 52
15517 115 C 16.9804 30.2129 93.0734 0.00223059 -0.00595938 0.000460173 52
15518 116 C 17.8592 30.4318 94.3451 -0.00201287 0.00166395 -0.00150053 52
15519 117 C 17.436 29.7798 95.6622 0.00255347 -0.00464981 0.00253156 52
15520 118 C 16.3118 21.6828 82.788 0.00699452 -0.00109521 -0.00223679 52
15521 119 C 16.0795 21.829 84.3014 -0.000387369 -0.00251842 -0.00200492 52
15522 120 C 16.8734 20.9007 85.2379 0.00272462 0.00217822 0.00390623 52
15523 121 C 17.1784 21.5055 86.6195 -0.00262977 0.00156037 0.0026822 52
15524 122 C 16.1551 21.0881 87.7043 0.00298752 -0.00483742 -0.00128223 52
15525 123 C 16.3959 21.6916 89.1015 -0.00055736 -0.00199874 0.00190887 52
15526 124 C 17.8104 21.3495 89.6501 -0.00131997 -0.00524894 -0.00483793 52
15527 125 C 18.0022 21.76 91.174 0.000461018 0.00406829 -0.000533927 52
15528 126 C 17.038 20.9672 92.1304 0.0031874 -0.00113102 0.00374933 52
15529 127 C 17.6529 20.7416 93.5238 -0.00339625 0.00243047 0.00141993 52
15530 128 C 17.4666 21.9313 94.4753 0.0029277 0.00382997 0.00111619 52
15531 129 C 17.9499 21.5393 95.882 -0.00413451 -0.00391701 0.00426723 52
15532 130 F 14.2351 26.6324 72.9089 -0.00152195 0.00245633 0.00324269 52
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15555 153 H 14.5738 20.545 61.9818 -0.0132097 -0.010181 -6.79819e-05 52
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15560 158 H 14.0456 20.8493 59.7369 -0.00456803 -0.00484699 -0.00654467 52
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15564 162 H 13.9279 21.2882 57.2921 -0.00535626 -0.00275567 -0.0116114 52
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15623 221 H 11.2815 27.2913 51.5145 0.000401956 -0.00445472 0.0181955 52
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15629 227 H 12.8464 24.5154 48.7068 0.00952435 -0.00933258 5.57192e-05 52
15630 228 H 9.52466 26.3441 82.1992 1.42942e-05 -0.00736111 -0.0106082 52
15631 229 H 9.33544 24.6769 81.9285 -0.00991704 -0.00570759 0.0180523 52
15632 230 H 10.1747 23.9658 84.0658 -0.0109263 -0.00119811 0.0147893 52
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15648 246 H 11.5588 25.7229 93.8421 -0.00216611 -0.00507205 -0.00147886 52
15649 247 H 10.2799 26.8962 93.3304 -0.0060172 -0.00213653 -0.012829 52
15650 248 H 8.57607 25.3794 94.1208 0.000229645 -8.86848e-05 0.00541468 52
15651 249 H 9.72635 24.0745 94.3236 0.0118403 -0.000564333 -0.00260229 52
15652 250 H 10.8727 25.8347 96.084 0.000182752 0.00554249 0.00233201 52
15653 251 H 9.34439 26.7041 95.8765 0.00359289 7.11173e-05 -0.0042263 52
15654 252 H 9.34368 25.0589 96.5557 0.00410113 0.00738828 0.0092445 52
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15656 254 H 14.7347 28.9055 83.5011 -0.00384089 0.00102297 -0.00277588 52
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15659 257 H 18.0512 30.9081 84.1292 -0.00572589 0.00682806 0.00962779 52
15660 258 H 16.4857 31.5414 83.8519 0.0152387 -0.000277635 -0.0132919 52
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15663 261 H 18.0329 31.0715 86.733 -0.00110518 0.00315565 0.00609991 52
15664 262 H 16.5785 32.043 86.5363 0.00720908 -0.00235787 0.00371024 52
15665 263 H 15.274 30.5759 88.0119 -0.00068761 0.00794988 0.00995005 52
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15667 265 H 18.2091 30.9258 89.1861 -0.000968851 -0.00691347 0.000597636 52
15668 266 H 16.9059 32.123 89.3332 -0.000233358 0.00017455 0.00439074 52
15669 267 H 15.6567 30.7725 90.7165 0.000887909 -0.00751402 0.020243 52
15670 268 H 16.6488 29.3336 90.5135 -0.00942025 -0.00171014 -0.00498298 52
15671 269 H 18.6126 30.4556 91.6306 0.00086359 -0.00503892 -0.0103227 52
15672 270 H 17.6165 31.8711 91.7867 -0.00911814 -0.00206337 -0.00682624 52
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15675 273 H 18.8758 30.0881 94.1175 -0.00168933 0.00484191 -0.00484318 52
15676 274 H 17.8164 31.5133 94.5235 0.00966278 0.00124159 0.0036833 52
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15678 276 H 18.0444 30.1293 96.5055 0.00743932 -0.0104111 0.00139084 52
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15680 278 H 15.8009 20.7661 82.4687 0.00710581 -0.00349656 0.00447447 52
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15682 280 H 15.0257 21.6483 84.547 -0.00142093 0.00873636 0.0018468 52
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15684 282 H 17.8185 20.7155 84.7125 -0.0029012 -0.00347822 -0.00424077 52
15685 283 H 16.4105 19.9124 85.3491 0.00747222 -0.000444243 0.000395042 52
15686 284 H 17.2536 22.5996 86.5919 -0.00953526 0.00228448 0.0124583 52
15687 285 H 18.1874 21.2243 86.9455 -0.00511967 -0.00892876 0.00128418 52
15688 286 H 16.0823 19.995 87.7621 -0.00209198 -0.0040288 0.00763156 52
15689 287 H 15.1626 21.392 87.3495 -0.0035785 -0.0219311 0.00240572 52
15690 288 H 15.6614 21.2209 89.7667 0.0064402 -0.00357193 0.00852942 52
15691 289 H 16.2331 22.7762 89.0795 0.000849763 -0.00186626 -0.00217293 52
15692 290 H 18.6195 21.7727 89.042 0.00367277 -0.00459069 0.00225239 52
15693 291 H 17.8878 20.2553 89.6421 -0.0129967 -0.00609177 -0.00426825 52
15694 292 H 17.861 22.8395 91.3089 0.0112746 0.00584879 -0.00342685 52
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15697 295 H 16.0818 21.4997 92.2045 0.00346206 0.00156199 -0.0118172 52
15698 296 H 18.7249 20.5162 93.464 -0.00161723 0.0113744 -0.000310522 52
15699 297 H 17.1969 19.8308 93.9313 0.00113171 0.00268233 0.00703545 52
15700 298 H 16.4404 22.3189 94.4854 -0.00300959 -0.0117604 -0.00640059 52
15701 299 H 18.0992 22.7744 94.1713 -0.000891245 0.00658531 0.000816567 52
15702 300 H 19.035 21.379 95.8647 -0.00367063 -0.00140799 0.0102058 52
15703 301 H 17.475 20.6088 96.2167 0.021497 -0.0164227 0.0059196 52
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15705 1 C 20.0808 22.0581 79.0846 0.000701783 0.00210479 0.00144512 53
15706 2 C 20.1338 21.9065 77.7041 -0.00160661 0.000337291 -0.000487393 53
15707 3 C 19.5241 20.8357 77.0932 -0.00245942 0.00251798 -0.00275471 53
15708 4 C 18.9927 19.8355 77.9225 -0.00156152 0.00214041 0.000428215 53
15709 5 C 18.9481 19.9673 79.3044 -0.000756397 0.00479225 -0.00384446 53
15710 6 C 19.5204 21.1035 79.9358 -0.0020482 0.00114451 0.00517034 53
15711 7 C 14.4115 18.43 79.1937 0.00306331 0.00520009 -0.0025289 53
15712 8 C 14.4603 18.3593 77.7849 0.00102748 -0.00410173 -0.00167954 53
15713 9 C 15.71 18.4034 77.1701 4.97721e-05 0.00243674 0.00144016 53
15714 10 C 16.8736 18.5732 77.9608 -0.00425978 -0.00208773 -0.0007921 53
15715 11 C 16.8288 18.6782 79.3464 0.00243938 -0.00385738 0.00329667 53
15716 12 C 15.527 18.5913 79.9968 -0.00202136 -0.00513074 0.00177384 53
15717 13 C 20.166 15.3904 79.5998 0.00137522 -0.00232014 -0.00103466 53
15718 14 C 20.0749 15.2825 78.2314 -0.000397586 0.00503825 -0.00138424 53
15719 15 C 19.4791 16.268 77.4831 0.00133484 -0.00173564 0.00109953 53
15720 16 C 18.979 17.3945 78.1406 0.000969443 0.00221977 -0.00156209 53
15721 17 C 18.3152 18.5618 77.3927 -0.00265733 3.89556e-05 -0.000381555 53
15722 18 O 19.7766 16.589 81.6989 -0.00403462 0.000175528 0.00773426 53
15723 19 O 15.3766 18.6472 81.4063 -0.00258081 -0.00339056 0.00322043 53
15724 20 O 19.4239 21.3605 81.3207 0.0014537 -0.0001635 0.00134012 53
15725 21 C 19.6636 16.5104 80.3075 0.00457681 0.00084798 -0.00205493 53
15726 22 C 18.3736 18.411 75.9531 -0.00141488 0.00388804 0.00188149 53
15727 23 C 18.2526 18.1791 74.7819 -0.00148715 -0.00163794 0.00140423 53
15728 24 C 17.9311 17.714 73.455 -0.00467587 0.00151804 -0.0010909 53
15729 25 C 16.8306 18.2647 72.7649 0.00147876 -0.00382815 0.00187277 53
15730 26 C 16.4595 17.7914 71.4932 -0.000346266 -0.00295607 -0.00273479 53
15731 27 C 17.1716 16.6933 70.957 0.00408033 0.000444259 -0.00317051 53
15732 28 C 18.2994 16.1676 71.6677 -0.00350621 0.00211315 0.00166994 53
15733 29 C 18.6533 16.6418 72.9357 -0.00327531 -0.0018139 0.00122116 53
15734 30 C 16.8267 16.214 69.6633 0.000868856 -0.000373054 -0.00159314 53
15735 31 C 16.5762 15.9097 68.5333 -0.00349551 -0.00130191 -0.000122933 53
15736 32 C 14.5468 12.3377 66.8401 7.63966e-05 -0.000347448 -0.00208818 53
15737 33 C 14.578 12.2306 65.4184 -0.00547446 0.0020238 -0.00185322 53
15738 34 C 15.1188 13.2243 64.6308 -0.00181019 0.000958943 0.00109711 53
15739 35 C 15.5673 14.3878 65.2541 0.00217865 0.00249416 -0.00156789 53
15740 36 C 15.6592 14.4756 66.668 0.00217633 -0.000813422 0.000804447 53
15741 37 C 15.1349 13.4515 67.4946 0.00295189 -0.00442317 -0.00069086 53
15742 38 C 16.4471 15.7028 67.0995 -1.15869e-05 5.19435e-06 0.00125942 53
15743 39 C 20.1205 15.5071 66.1419 0.00373703 0.00250126 0.000596979 53
15744 40 C 20.0624 15.4825 64.7449 -7.1095e-05 -0.000470362 -0.000680628 53
15745 41 C 18.8041 15.4969 64.1011 0.00124178 0.000232764 -0.00156591 53
15746 42 C 17.6466 15.5691 64.9158 -0.000528138 0.00471177 0.00159946 53
15747 43 C 17.7466 15.662 66.3248 0.00064075 0.00126608 0.00166679 53
15748 44 C 18.9909 15.6214 66.9795 0.00406622 0.00371586 -0.00337525 53
15749 45 C 14.2807 18.8664 66.3929 0.00117665 0.000115052 -0.00382716 53
15750 46 C 14.2177 18.7801 64.9938 -0.00179022 0.000335874 0.00199186 53
15751 47 C 14.8675 17.7704 64.2882 0.00306059 0.00178852 -0.00473234 53
15752 48 C 15.5563 16.8113 65.0226 -0.00133094 0.00010375 -0.00143121 53
15753 49 C 16.2193 15.5471 64.4543 0.00278339 0.000159281 -0.000313185 53
15754 50 C 15.6559 16.8677 66.4449 -0.0012055 -0.00163372 0.00326318 53
15755 51 C 15.0371 17.9311 67.1343 0.00109885 0.00231404 -0.0037394 53
15756 52 O 18.7743 15.5478 62.7339 -0.000438926 0.00186573 -0.00202807 53
15757 53 O 15.2359 13.1532 63.295 -0.000722757 -0.00118012 -0.000898197 53
15758 54 O 14.685 17.5908 62.9262 -0.000228549 0.000401883 0.000340709 53
15759 55 C 18.1941 18.7456 80.0364 -0.00217481 -0.00098959 -0.000766883 53
15760 56 C 19.0112 17.5202 79.5559 -0.00138865 0.000214387 -0.00371973 53
15761 57 C 18.4603 16.7804 62.0558 -0.00400346 0.00216559 -0.00147887 53
15762 58 C 17.7946 16.3879 60.7045 -0.00510791 0.00228631 -0.00287127 53
15763 59 C 18.7743 16.0878 59.5598 -0.00281831 -0.00422482 0.000335188 53
15764 60 C 18.4062 14.8021 58.7866 0.000123119 0.00275757 -0.000254385 53
15765 61 C 17.004 14.6585 58.22 -0.00257784 0.00378338 -0.00196951 53
15766 62 C 16.7921 15.3819 56.8541 0.000875551 -0.00150186 -0.00581485 53
15767 63 C 17.4005 14.5929 55.6706 -0.00218086 0.00371995 -0.000577311 53
15768 64 C 16.8743 15.1191 54.3426 -0.00235108 -0.00166102 0.00606367 53
15769 65 C 17.5661 14.4595 53.1246 -0.0016916 0.0040259 -0.00126238 53
15770 66 C 17.0505 15.0855 51.799 -0.00150632 -0.000623314 0.00374914 53
15771 67 C 17.7167 14.538 50.521 0.00408431 -0.00331746 -0.000414982 53
15772 68 C 17.1585 15.2163 49.2459 0.00534905 0.00446194 0.000436368 53
15773 69 F 15.5121 18.4801 70.8131 -0.00156145 0.000128162 0.00177451 53
15774 70 C 16.1991 12.238 62.7424 -0.00456324 -0.00228439 -0.00371063 53
15775 71 C 16.7727 12.7813 61.4017 -7.03105e-05 -0.00388832 -0.00301562 53
15776 72 C 17.0863 11.6961 60.3366 0.00193898 -0.00541567 -0.000985197 53
15777 73 C 17.3915 10.296 60.849 0.00254131 -0.000263507 0.00192436 53
15778 74 C 18.0798 9.46866 59.7342 -0.00268259 -0.00198879 0.00134675 53
15779 75 C 17.2689 9.19856 58.4281 -0.000145835 2.25671e-05 -0.00299933 53
15780 76 C 17.6419 10.08 57.2171 0.00460812 -0.000700412 -0.00133704 53
15781 77 C 16.8579 9.63443 55.9382 0.000685155 0.00484457 0.00358435 53
15782 78 C 17.3572 10.2435 54.6198 -0.000981622 -0.000578016 0.000111557 53
15783 79 C 16.6877 9.56561 53.3948 -0.000874631 -0.00280108 -0.0012088 53
15784 80 C 17.2133 10.0527 52.0174 0.00312304 0.00450971 0.00167347 53
15785 81 C 16.4738 9.37353 50.8612 -0.00122813 -0.000395338 0.00111934 53
15786 82 C 13.3714 17.3245 62.5693 -0.00286281 0.002275 0.00367691 53
15787 83 C 13.2676 17.6936 61.0722 -0.000721942 -0.000813561 -0.000813793 53
15788 84 C 14.0952 16.8013 60.1427 0.00631198 0.00369526 0.0025835 53
15789 85 C 14.0666 17.3016 58.6805 0.000421882 0.00082544 0.000946888 53
15790 86 C 12.8149 16.8659 57.8513 -0.00376631 -0.00149836 -0.00440695 53
15791 87 C 13.0085 17.051 56.3364 0.00130677 0.00142891 -0.000804999 53
15792 88 C 11.8404 16.5987 55.4433 -0.000525568 -0.00157455 -0.00207671 53
15793 89 C 11.8855 17.2731 54.072 -0.000159887 0.00103897 0.00181992 53
15794 90 C 12.909 16.6378 53.1407 0.00190304 0.000875006 -0.00223005 53
15795 91 C 12.8828 17.2794 51.7319 -0.000134691 8.68135e-05 0.000906388 53
15796 92 C 13.8929 16.6461 50.7647 0.00279324 0.00100653 -0.00101657 53
15797 93 C 13.7807 17.2241 49.3187 0.00345367 -0.0034896 -0.00320757 53
15798 94 C 14.1136 18.9643 81.9919 0.000363486 0.00182116 0.000380454 53
15799 95 C 14.0326 18.7889 83.5109 0.00156779 0.00134515 -0.00212011 53
15800 96 C 12.5844 19.1831 83.9924 0.00183599 0.000589079 -0.0017436 53
15801 97 C 12.1649 18.8437 85.422 -0.00380515 -0.000528179 0.00290952 53
15802 98 C 13.1787 18.9907 86.5417 0.000355014 -0.00339063 0.00104126 53
15803 99 C 12.4718 18.8291 87.9222 -0.00344248 -0.00102294 0.00378474 53
15804 100 C 13.4411 19.0374 89.1157 0.00281612 -0.000637452 -0.00293131 53
15805 101 C 12.657 19.0823 90.4247 0.00229091 -0.0030873 -0.00453486 53
15806 102 C 13.5461 19.0315 91.6526 0.003195 -0.00258696 0.000961639 53
15807 103 C 12.6917 19.4123 92.8931 0.00159031 0.00176596 -0.000634817 53
15808 104 C 13.1769 19.0371 94.2895 0.00107642 -0.00171085 0.00169045 53
15809 105 C 14.6535 19.2506 94.5407 -0.000811417 -0.00104087 -0.00164349 53
15810 106 C 19.6949 22.6891 81.903 0.00308114 -0.00199202 -0.00404979 53
15811 107 C 19.7385 22.5652 83.4271 -0.00431925 -0.00171377 0.00103745 53
15812 108 C 20.3662 23.7391 84.2721 -0.00150232 -0.000994931 0.000610123 53
15813 109 C 20.4813 23.2204 85.7278 -0.00044148 -0.00279005 -0.00280478 53
15814 110 C 20.808 24.2339 86.8521 0.000438495 -0.00113731 -0.000452756 53
15815 111 C 21.0976 23.4962 88.1706 -0.000256453 -0.00564712 0.000971434 53
15816 112 C 20.8894 24.3416 89.4372 -0.00231274 -0.000864904 0.00108084 53
15817 113 C 21.3613 23.5329 90.6839 0.000954287 -0.000169489 0.00319938 53
15818 114 C 20.9672 24.1174 92.0384 -0.00125245 0.00147345 -0.000763108 53
15819 115 C 21.3355 23.1215 93.1643 -0.00643549 -0.00504172 -0.000724515 53
15820 116 C 21.1081 23.7083 94.5519 -0.00196119 -0.00115593 3.07268e-05 53
15821 117 C 21.8293 22.9761 95.6939 -0.0019219 -0.00268567 -0.00365669 53
15822 118 C 20.2145 15.3785 82.3726 0.00291768 -0.00257496 0.0012609 53
15823 119 C 20.182 15.4127 83.9187 -0.00229297 -0.00361452 0.000909878 53
15824 120 C 21.0305 14.2656 84.5173 -0.000542981 0.00107065 0.00482844 53
15825 121 C 21.493 14.5524 85.9332 0.000979742 -6.83659e-05 -0.00256178 53
15826 122 C 20.489 14.27 87.087 0.000184126 -0.0006309 0.00219304 53
15827 123 C 21.2543 14.5354 88.4251 0.0046977 8.60116e-05 0.00198386 53
15828 124 C 20.4279 14.2003 89.646 0.00201866 0.000474901 0.00436425 53
15829 125 C 21.2697 14.3671 90.9506 2.06911e-05 0.000441911 0.000136313 53
15830 126 C 20.4467 14.0979 92.2471 0.00134908 0.000389912 -0.00382618 53
15831 127 C 21.3348 14.3651 93.475 0.000205816 0.00151252 0.00494779 53
15832 128 C 20.6313 14.0649 94.8049 -0.00181395 -0.00131427 -0.0077219 53
15833 129 C 21.5096 14.3557 96.0091 -0.000206887 -0.00206954 -0.000801945 53
15834 130 F 16.1439 19.2728 73.3399 -0.000303778 -0.00133266 0.000192677 53
15835 131 H 20.521 22.9655 79.4874 -0.00336028 0.0105317 -0.0130427 53
15836 132 H 20.5328 22.6915 77.0685 -0.0068989 -0.00126117 -0.00579849 53
15837 133 H 19.5052 20.7431 76.0113 -0.00200558 0.0107225 -0.00345621 53
15838 134 H 13.4158 18.3112 79.6106 0.00415741 -0.0110678 -0.00450574 53
15839 135 H 13.5712 18.308 77.1635 -0.000775941 -0.0113275 0.00151989 53
15840 136 H 15.7479 18.3127 76.0886 -0.0161384 -0.00454561 0.00144876 53
15841 137 H 20.6817 14.5979 80.134 -0.0153435 -0.0100909 0.00355417 53
15842 138 H 20.3764 14.3617 77.741 -0.00604282 0.00415468 -0.00321608 53
15843 139 H 19.4142 16.135 76.4072 -0.0181515 0.00995324 0.000833647 53
15844 140 H 18.9068 15.3893 71.2153 -0.00880221 0.00322043 -0.00734958 53
15845 141 H 19.451 16.1719 73.5035 -0.0144173 -0.0116687 0.00874527 53
15846 142 H 14.1459 11.5476 67.4682 -0.0172501 0.00508722 -0.00632085 53
15847 143 H 14.2573 11.2978 64.9642 -0.011565 0.00275929 0.000946252 53
15848 144 H 15.1851 13.4708 68.5792 -0.0150565 0.00698978 -6.50003e-05 53
15849 145 H 21.0798 15.5218 66.6508 0.00191142 -0.00349948 0.00421262 53
15850 146 H 21.0063 15.4848 64.2079 0.00162253 -0.00465965 0.00227656 53
15851 147 H 19.079 15.7148 68.0579 0.00627268 0.00133853 -0.00335405 53
15852 148 H 13.712 19.6237 66.9245 0.00827261 -0.0014931 0.00605523 53
15853 149 H 13.6317 19.4887 64.416 0.0053533 -0.00476144 -0.0115625 53
15854 150 H 16.0863 15.4625 63.3687 -4.3161e-05 0.00783691 -0.000569154 53
15855 151 H 15.0709 18.0607 68.212 -0.00262524 -0.0130841 -0.00179346 53
15856 152 H 18.1748 18.878 81.1253 -0.00244238 -0.00416235 -0.000390535 53
15857 153 H 17.6362 17.2481 62.6084 -0.016265 -0.0114954 -0.00810833 53
15858 154 H 19.3215 17.4556 61.9796 -0.00417128 0.00227447 -0.00240989 53
15859 155 H 17.1753 17.2326 60.3785 -0.00512666 0.000488526 -0.00748718 53
15860 156 H 17.1501 15.5387 60.9632 -0.00326756 0.0028934 0.00377595 53
15861 157 H 19.8013 15.947 59.9187 0.000452097 -0.00141474 -0.00790842 53
15862 158 H 18.7401 16.9156 58.8408 -0.00448456 0.00221536 0.00784233 53
15863 159 H 18.5945 14.0154 59.5276 -0.00197057 0.00384572 0.0014289 53
15864 160 H 19.162 14.6219 58.0121 0.00427436 -0.00367457 0.00527719 53
15865 161 H 16.2858 15.0419 58.9553 -0.00410631 -0.00586379 0.00155599 53
15866 162 H 16.7881 13.599 58.0348 -0.00256803 0.00392229 -0.00278459 53
15867 163 H 17.228 16.3845 56.9442 0.00429595 -0.00332092 -0.00201006 53
15868 164 H 15.7185 15.4744 56.6488 0.00104802 -0.00510256 -0.00835587 53
15869 165 H 17.0926 13.5454 55.777 -0.0102375 0.00620076 0.000582996 53
15870 166 H 18.4974 14.6075 55.6776 -0.00225392 0.00690899 0.00356296 53
15871 167 H 17.0452 16.2027 54.3408 0.00885225 -0.00344684 0.000649752 53
15872 168 H 15.7856 14.9918 54.2962 -0.00174675 -0.00146833 -0.00856777 53
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16074 68 C 20.2719 21.6657 49.3301 0.00299466 -0.00136386 0.00489657 54
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16094 88 C 20.2907 26.2177 55.041 0.00150203 0.000104402 0.00286599 54
16095 89 C 20.1245 27.3361 53.9945 -0.00262214 0.00114276 -0.0007198 54
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16099 93 C 20.0171 27.0013 49.4484 -0.00191079 -0.000698138 -0.00500189 54
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16561 253 H 28.9234 22.65 81.9827 0.000659326 -0.00320038 0.0122136 55
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16563 255 H 27.0308 22.4193 84.3902 0.000954433 0.00581535 -6.55084e-05 55
16564 256 H 28.6582 21.7085 84.2129 0.00475231 0.00374424 0.00576356 55
16565 257 H 29.7545 23.9853 84.274 0.00263886 -0.0106819 -0.00202106 55
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16567 259 H 28.7471 24.9504 86.4714 -0.00755585 0.00356791 -0.00834802 55
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16570 262 H 30.4899 23.3264 86.9587 0.00330017 -0.00511069 0.0089136 55
16571 263 H 27.8142 22.4033 88.2081 0.00138244 0.00498677 0.00461073 55
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16573 265 H 30.0276 24.1464 89.3165 -0.000425467 -0.00489822 -0.0131007 55
16574 266 H 28.2605 24.2768 89.3951 0.00729027 0.00670056 -0.00172805 55
16575 267 H 28.2341 22.0939 90.7543 0.00775862 -0.00287025 0.0058986 55
16576 268 H 29.9903 22.2351 90.8133 0.000938202 -0.0027263 0.0239433 55
16577 269 H 29.7604 24.4586 91.9708 -0.00127332 -0.00603091 -0.00467689 55
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16581 273 H 29.819 24.5202 94.6097 0.00840773 -0.00879616 -0.0056403 55
16582 274 H 28.115 24.1007 94.8389 0.00773311 0.011261 0.00771223 55
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16584 276 H 29.3099 23.4461 96.8609 0.0115887 0.00419322 -0.00479155 55
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16590 282 H 30.1331 14.1831 85.1862 0.00173512 -0.00713028 -0.00678839 55
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16593 285 H 27.083 14.3236 86.0038 0.00046568 -0.00210049 0.00426285 55
16594 286 H 27.5323 15.2945 87.96 0.00497785 0.0144164 9.29511e-05 55
16595 287 H 28.8219 16.0949 87.058 0.010782 -0.00748041 -0.00622442 55
16596 288 H 30.4948 14.7274 88.0548 -0.00198728 0.00396998 0.00628588 55
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16598 290 H 28.3715 15.4648 90.0105 0.00194205 -0.0037862 -0.00921867 55
16599 291 H 29.927 16.2678 89.6761 0.0181804 -0.00709356 -0.0152063 55
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16601 293 H 29.4813 13.5028 90.9546 0.00202797 0.00197024 -0.0114639 55
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16607 299 H 30.5912 14.1618 95.5479 0.000604384 -0.000895261 0.000553628 55
16608 300 H 28.5702 15.4999 96.1765 0.00693929 -0.00105409 0.00240942 55
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16611 1 C 31.5753 28.8695 79.9199 0.00174294 0.00152625 -0.00147604 56
16612 2 C 31.6027 28.815 78.5241 0.000355194 -0.000234617 -0.00171908 56
16613 3 C 31.0815 27.7026 77.8503 0.000657858 0.000647597 -0.000677364 56
16614 4 C 30.511 26.6439 78.5963 -0.000779279 0.000284117 -0.00108471 56
16615 5 C 30.4393 26.7447 80.0108 -0.00259447 -0.00330215 0.00280131 56
16616 6 C 31.0396 27.8031 80.6943 0.00333192 0.0019269 -0.000208389 56
16617 7 C 25.9697 25.4766 79.9503 0.000302776 -0.00376282 0.00224073 56
16618 8 C 26.008 25.3372 78.5595 -0.00130536 0.00280886 0.000493762 56
16619 9 C 27.2216 25.3449 77.8673 -0.000346061 0.000879987 -0.000464496 56
16620 10 C 28.3766 25.4651 78.6446 -0.00350101 -0.00132658 -0.000589021 56
16621 11 C 28.3655 25.5526 80.0604 0.00288603 0.00213978 0.00092787 56
16622 12 C 27.1272 25.5871 80.75 0.00319534 -0.00432434 0.00148924 56
16623 13 C 31.75 22.1551 79.997 0.00316974 -0.000767074 0.0037056 56
16624 14 C 31.7353 22.1475 78.6015 -0.00185117 -0.00249038 0.000541125 56
16625 15 C 31.0647 23.1617 77.9122 -0.00477803 0.00360241 -0.00220821 56
16626 16 C 30.4667 24.2522 78.6374 -0.00417709 0.00136272 -0.00198343 56
16627 17 C 29.8012 25.4553 78.0066 -0.00105348 0.000631864 0.00243657 56
16628 18 O 31.2926 23.1522 82.091 0.000852504 0.00456794 0.00135135 56
16629 19 O 26.9963 25.7454 82.127 0.0029812 0.000722376 -0.00133204 56
16630 20 O 30.9096 27.8242 82.0854 -0.00127125 0.00147438 -0.00106665 56
16631 21 C 31.1623 23.2133 80.7112 0.000262835 0.000547375 0.00024378 56
16632 22 C 29.7587 25.3475 76.5605 -0.00192831 -0.00302154 0.00291878 56
16633 23 C 29.6198 25.1093 75.3782 0.000973976 0.00286432 -0.00173863 56
16634 24 C 29.2993 24.6555 74.0684 0.0038346 0.000347915 0.000754404 56
16635 25 C 28.4876 25.3929 73.2476 0.00222453 -0.002308 0.00315362 56
16636 26 C 28.0746 24.8505 72.0264 0.00059439 0.000466234 -0.00143458 56
16637 27 C 28.6007 23.6275 71.5793 0.00184654 -0.000129935 0.00048598 56
16638 28 C 29.4679 22.8997 72.3905 0.00354042 -0.000742614 0.00359331 56
16639 29 C 29.8525 23.447 73.642 -0.000240496 0.00132559 0.00174989 56
16640 30 C 28.1843 23.0807 70.3367 -0.00178295 -0.00409963 -0.00205781 56
16641 31 C 27.9684 22.7568 69.1981 0.000882771 0.00280695 0.00567738 56
16642 32 C 25.8413 19.2697 67.3481 -0.00399175 0.00308346 0.00294686 56
16643 33 C 25.8786 19.1526 65.9702 0.000219781 -0.00561503 -0.00207522 56
16644 34 C 26.5022 20.094 65.2194 0.000193648 -0.000888328 -0.00124462 56
16645 35 C 27.1371 21.2015 65.8322 0.000897241 0.00136882 0.00509241 56
16646 36 C 27.1403 21.2971 67.2337 -0.00219699 -0.00277277 0.00156853 56
16647 37 C 26.4777 20.3281 67.9814 -0.0031977 0.00242779 0.00137816 56
16648 38 C 27.8811 22.5134 67.7492 0.00119912 -0.00272154 0.00122194 56
16649 39 C 31.7276 22.5149 67.0766 -0.0031487 0.00228003 0.00294024 56
16650 40 C 31.6819 22.5519 65.6556 -0.000524373 -0.00163037 -0.00337024 56
16651 41 C 30.457 22.4967 64.9601 3.41244e-06 0.00117754 -0.00106105 56
16652 42 C 29.2712 22.3408 65.6834 -1.03258e-05 0.00108639 0.000425007 56
16653 43 C 29.3098 22.4123 67.1081 -0.0021177 0.00266084 -0.00154075 56
16654 44 C 30.5568 22.4289 67.8232 -0.000390919 -0.00222776 0.00109913 56
16655 45 C 26.2399 25.9259 66.9851 0.00698892 0.00323077 0.00323789 56
16656 46 C 26.2547 25.8408 65.5568 -0.00310769 0.00300228 -0.00281921 56
16657 47 C 26.7338 24.6938 64.8972 -0.00253327 0.00382458 0.00232686 56
16658 48 C 27.2474 23.6243 65.6497 -0.000447781 0.00333606 0.000640562 56
16659 49 C 27.8579 22.3136 65.0933 -0.0025888 0.00461952 0.00163327 56
16660 50 C 27.2667 23.7224 67.0602 0.000461412 -0.00133038 -0.00105907 56
16661 51 C 26.7568 24.8668 67.7368 -0.0019185 -0.00273279 -0.00198288 56
16662 52 O 30.383 22.6735 63.6346 -0.000901885 0.000983694 0.00119262 56
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16664 54 O 26.6352 24.6533 63.5389 0.00112494 -0.00260478 0.00139559 56
16665 55 C 29.7722 25.5095 80.6861 -0.000370563 0.000358611 -0.00169011 56
16666 56 C 30.5189 24.2692 80.0547 0.00243561 0.000435552 0.0012918 56
16667 57 C 30.8343 21.7409 62.6417 0.000865957 -0.00199999 0.00269978 56
16668 58 C 29.8169 21.8987 61.4816 -0.000122083 0.00138501 5.47134e-05 56
16669 59 C 30.3339 21.444 60.115 0.00356281 -0.000446097 0.00283387 56
16670 60 C 29.3518 21.9087 59.0057 0.00027871 0.00140013 -0.00250001 56
16671 61 C 29.7458 21.4909 57.5832 0.00418026 -0.00275072 0.00396772 56
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16673 63 C 29.141 21.3846 55.1175 0.000224792 0.00047909 -0.00587626 56
16674 64 C 28.1293 21.617 54.0006 -0.00241675 -0.00103837 -0.00185441 56
16675 65 C 28.8909 21.8657 52.6755 0.000143393 -0.00155938 -9.34267e-05 56
16676 66 C 27.9513 21.9513 51.489 0.00370258 -0.000655163 0.00268468 56
16677 67 C 28.7835 21.975 50.1848 -0.00202581 -0.00025699 0.00345748 56
16678 68 C 27.9179 22.0511 48.9229 0.00199215 8.92806e-05 -0.00139482 56
16679 69 F 27.0738 25.4792 71.3042 -0.00282289 -0.000535531 0.000373096 56
16680 70 C 25.4583 20.0446 63.0642 -0.00308576 0.00154345 -0.00204847 56
16681 71 C 25.6116 21.1378 62.0002 0.0040332 0.00423671 0.000416475 56
16682 72 C 26.1783 20.6763 60.6482 0.00219178 0.00440361 0.00255622 56
16683 73 C 25.237 19.6248 59.9375 0.00149606 -0.00408577 -0.00461755 56
16684 74 C 25.505 19.3762 58.4442 0.0010759 0.00473972 0.0025367 56
16685 75 C 25.092 20.5677 57.5375 0.00204464 0.00114462 0.00150204 56
16686 76 C 24.996 20.1472 56.0687 0.000929345 -0.00204997 0.000646388 56
16687 77 C 24.3577 21.2277 55.1832 0.00222805 0.00152559 -0.00155957 56
16688 78 C 23.7763 20.7379 53.8601 0.00058627 -0.000367824 -0.00212018 56
16689 79 C 24.8349 20.6088 52.767 0.00288866 -0.00225014 -0.000907155 56
16690 80 C 24.3059 20.1306 51.4182 0.000108329 0.000935571 0.00103572 56
16691 81 C 23.6167 18.7589 51.5285 -0.00373776 -0.00312073 0.00267537 56
16692 82 C 27.7976 24.4565 62.7257 0.00111769 0.00227291 -0.00352403 56
16693 83 C 27.925 25.6451 61.7379 -0.000217785 0.0015205 -0.00349378 56
16694 84 C 27.7224 25.3515 60.2349 -0.00164501 -0.00336452 0.002148 56
16695 85 C 28.7952 26.0513 59.3295 -0.00328969 -0.000434676 -0.0018043 56
16696 86 C 28.4748 25.7835 57.9151 0.00109591 -1.45381e-05 0.00111043 56
16697 87 C 29.4867 26.3941 56.9352 -0.000444951 -0.00063868 0.000676247 56
16698 88 C 28.978 26.4435 55.4762 -0.00257401 0.00146999 0.00284857 56
16699 89 C 28.6795 25.1174 54.7843 -0.00270698 3.9339e-05 -0.000949746 56
16700 90 C 28.0564 25.3557 53.4123 -0.000725392 -0.00346533 0.00313541 56
16701 91 C 29.0418 25.8416 52.3358 -0.0011544 0.000545419 0.00428 56
16702 92 C 28.3236 25.8779 50.9708 7.84742e-05 -0.000193732 -9.44559e-05 56
16703 93 C 29.2628 26.3527 49.7988 -0.0015367 -0.00265097 8.26827e-05 56
16704 94 C 25.6958 25.8251 82.7544 -0.00139985 -0.0029935 0.00317511 56
16705 95 C 25.7206 25.763 84.2967 -0.00183284 -0.00220913 -0.00208802 56
16706 96 C 24.2857 25.9073 84.846 -0.00536325 -0.00166662 -0.000864673 56
16707 97 C 24.2333 26.1316 86.3705 0.000146957 0.0012848 -0.00343285 56
16708 98 C 24.7693 24.949 87.2426 -0.00487481 0.000176443 0.00101712 56
16709 99 C 24.6238 25.1021 88.7751 -0.000361756 -0.00182149 0.00192839 56
16710 100 C 25.0609 26.4789 89.2714 0.00169155 -0.00364023 0.00203828 56
16711 101 C 25.6139 26.4136 90.6896 -0.000888945 -0.00229976 -9.11729e-05 56
16712 102 C 24.6261 26.0001 91.8105 -0.000994147 -0.0042681 -0.00414675 56
16713 103 C 25.2074 26.0526 93.2463 -0.00246519 0.001359 -0.0013179 56
16714 104 C 24.1988 25.7765 94.3439 -0.00215796 0.00600725 -0.0023242 56
16715 105 C 24.8281 25.5565 95.7098 0.00162804 0.00290733 -0.00328089 56
16716 106 C 30.8896 28.9885 82.8964 0.00389648 0.00175551 -9.75554e-05 56
16717 107 C 32.3325 29.3949 83.2697 -0.00366609 0.0014158 -0.000325164 56
16718 108 C 32.4363 30.3221 84.5151 0.000546891 -0.00378428 -0.00665093 56
16719 109 C 32.2522 29.6103 85.8467 -0.000496798 0.0023304 0.00250828 56
16720 110 C 32.4024 30.5581 87.0644 -0.000446584 -0.00284704 -0.00147353 56
16721 111 C 32.3726 29.7973 88.4058 -0.00381688 -0.00191986 0.00222794 56
16722 112 C 32.2717 30.6186 89.6761 0.00168323 0.00131465 0.00055468 56
16723 113 C 32.3862 29.7367 90.9112 -0.00255728 -0.00129142 -0.00169432 56
16724 114 C 32.2259 30.5724 92.2249 0.00415347 0.00150861 0.00237998 56
16725 115 C 32.6537 29.682 93.4568 -0.000789982 0.000706756 -0.000138524 56
16726 116 C 32.4367 30.4382 94.7772 0.00130212 0.000698355 -0.000975572 56
16727 117 C 32.6841 29.5524 96.0268 -0.00326397 0.00416966 -8.55431e-05 56
16728 118 C 32.3956 22.4104 82.6931 -0.000805918 0.000755813 0.00121211 56
16729 119 C 32.3387 22.2944 84.2339 0.00318824 0.00131102 -0.00183661 56
16730 120 C 32.8964 20.9293 84.654 -0.0024509 0.00180821 0.000332269 56
16731 121 C 33.4945 20.7955 86.0453 0.00103944 0.000220049 -0.0023911 56
16732 122 C 32.7008 21.4454 87.2065 0.00376368 -0.00042706 0.000247851 56
16733 123 C 33.1753 21.0185 88.5778 -0.00497674 -0.00141885 -4.25489e-05 56
16734 124 C 32.7496 22.0404 89.6342 -0.00333978 -0.00306943 0.002091 56
16735 125 C 33.2912 21.8198 91.039 -0.00178516 0.000572689 0.00326039 56
16736 126 C 32.5982 20.6318 91.762 -0.000518684 0.00020097 0.00193432 56
16737 127 C 33.1656 20.3971 93.1842 0.00231416 -0.000694512 0.00150691 56
16738 128 C 32.9621 21.5708 94.1822 0.0062219 0.000643395 -0.00308369 56
16739 129 C 33.5554 21.3393 95.571 0.000152117 -0.000544188 0.000875528 56
16740 130 F 27.9518 26.5399 73.6403 -0.000207024 0.00298312 -0.00250436 56
16741 131 H 31.9939 29.7526 80.3935 0.00974431 0.00367643 -0.0125426 56
16742 132 H 32.0599 29.6518 78.0041 0.00704422 0.00147067 0.00685818 56
16743 133 H 31.0688 27.6905 76.7644 -0.00291005 -0.00242165 -0.000603528 56
16744 134 H 24.9944 25.5096 80.4268 -0.00163049 0.00623848 -0.00241615 56
16745 135 H 25.0971 25.1866 77.9878 -0.00223746 -0.0238382 0.00894655 56
16746 136 H 27.2638 25.2855 76.7837 0.00471168 -0.00116969 -0.000161628 56
16747 137 H 32.3679 21.3622 80.4079 0.00138755 -0.00877883 -0.00902232 56
16748 138 H 32.2759 21.3844 78.0495 0.000824095 -0.00290666 0.00373334 56
16749 139 H 31.0317 23.1002 76.8284 -0.0215749 0.0211629 -0.00269567 56
16750 140 H 29.8197 21.9041 72.1367 -0.00876105 -0.00318445 -0.00381815 56
16751 141 H 30.6267 22.9185 74.1904 0.00276706 -0.00228958 -0.00592294 56
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16753 143 H 25.3635 18.3469 65.4554 -0.00876595 -0.0046676 0.00542743 56
16754 144 H 26.3881 20.3787 69.0625 -0.00188155 0.00805672 0.00121522 56
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16757 147 H 30.6 22.5835 68.8973 -0.00615462 -0.00862931 0.00224074 56
16758 148 H 25.8764 26.8211 67.4811 0.00526146 0.00469125 -0.000654834 56
16759 149 H 25.8481 26.6821 65.0034 -0.00798589 0.000969556 -0.00232555 56
16760 150 H 27.835 22.1922 64.0033 0.00900672 -0.000162041 0.00192036 56
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16762 152 H 29.7835 25.6116 81.7782 -0.00394465 -0.00343529 -0.00130893 56
16763 153 H 31.8308 22.0002 62.2632 -0.00167346 -0.00440583 -0.00567979 56
16764 154 H 30.8236 20.696 62.9757 0.000215468 -0.00273961 0.000375369 56
16765 155 H 29.619 22.9743 61.3961 -0.0123604 2.35757e-05 0.0114444 56
16766 156 H 28.8717 21.3638 61.6365 -0.00468774 0.00540157 -0.01368 56
16767 157 H 30.4397 20.353 60.1583 0.011581 -0.000372858 -0.0153518 56
16768 158 H 31.3293 21.8655 59.928 0.00396952 -0.00364991 -0.0022256 56
16769 159 H 29.2668 23.001 59.0618 -0.00343382 0.000865799 0.00237716 56
16770 160 H 28.3617 21.5242 59.2797 0.00205779 -0.0042089 -0.00396384 56
16771 161 H 30.0187 20.4287 57.5577 0.00353749 -0.00303401 0.00930659 56
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16775 165 H 29.3602 20.3098 55.1277 0.0202543 0.00466513 0.0060895 56
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16779 169 H 29.6092 21.0414 52.5859 0.0125358 0.00899217 0.00196022 56
16780 170 H 29.5106 22.7697 52.7223 0.00331173 -0.00414742 0.00803528 56
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16784 174 H 29.4713 22.8292 50.1596 -0.00155539 -0.000883033 -0.005196 56
16785 175 H 27.3502 22.9876 48.858 -0.00571235 -0.00505441 -0.00833569 56
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16787 177 H 28.5097 21.8559 48.0201 -0.00407702 -0.00708508 -0.00385117 56
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16825 215 H 28.0592 27.0425 55.4558 0.00315834 0.010286 0.00374613 56
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16830 220 H 27.2664 26.0998 53.5728 0.000648889 -0.00213374 0.00375007 56
16831 221 H 29.4417 26.8403 52.5507 -0.0139235 0.00857542 -0.00931609 56
16832 222 H 29.9394 25.2111 52.3332 -0.000693117 0.00126959 -0.00680591 56
16833 223 H 27.9737 24.8877 50.6537 -0.00659443 -0.00110662 0.0102311 56
16834 224 H 27.4647 26.5602 50.9824 0.000575369 0.000375941 0.0027851 56
16835 225 H 30.1428 25.6979 49.7872 0.000835316 0.000498361 0.00196415 56
16836 226 H 28.7669 26.3829 48.8208 -0.00330567 0.000100878 0.00106002 56
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16840 230 H 26.1712 24.8467 84.6977 0.00312888 0.00638305 0.0120474 56
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16844 234 H 24.8239 27.037 86.5573 -0.00501085 0.00306821 0.00420591 56
16845 235 H 23.2119 26.365 86.6953 0.00199434 -0.00212554 0.00485331 56
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16847 237 H 25.8094 24.7705 86.943 -0.00378062 0.000203782 0.00483141 56
16848 238 H 23.6054 24.9123 89.1361 0.00282822 -0.00488892 0.00935093 56
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16859 249 H 23.6544 24.859 94.0885 0.00348655 0.00318135 -0.00420779 56
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16862 252 H 25.3092 26.4928 96.0185 0.0221407 -0.00631723 -0.00721458 56
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16864 254 H 30.4193 28.7396 83.8557 -0.000244972 -0.0171629 -0.007064 56
16865 255 H 32.9013 28.4834 83.491 -0.00906618 -0.00247176 -0.00244385 56
16866 256 H 32.7676 29.9299 82.4165 -0.00985609 0.00794514 0.000602625 56
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16869 259 H 31.2527 29.1591 85.8183 0.00490587 -0.00959593 0.00193161 56
16870 260 H 32.9795 28.7914 85.9089 0.00723148 0.00936071 0.00461226 56
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16874 264 H 33.2486 29.1434 88.4975 -0.00308922 -0.000539381 0.00514486 56
16875 265 H 33.084 31.3553 89.7053 0.0078916 -0.00583278 0.00819113 56
16876 266 H 31.3315 31.1837 89.6801 -0.00290015 -0.00628341 -0.00377929 56
16877 267 H 31.6302 28.9418 90.9175 -0.0106429 0.00636631 -0.00763424 56
16878 268 H 33.3602 29.2322 90.8955 -0.0037016 -0.00367528 0.00387438 56
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16880 270 H 31.1915 30.9209 92.3337 0.00117151 -0.00893578 0.00757918 56
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16895 285 H 33.5788 19.7175 86.2303 0.0178115 -0.000175967 -0.0123118 56
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16897 287 H 32.7775 22.5309 87.0674 -0.000514525 -0.00129889 -0.00901863 56
16898 288 H 34.2723 21.0245 88.5859 -0.00475525 -0.0212901 -0.0183917 56
16899 289 H 32.8712 19.9917 88.8159 0.000654262 -0.00478495 -0.00733416 56
16900 290 H 31.6565 22.1259 89.6716 -0.00377656 0.0010496 -0.0208601 56
16901 291 H 33.1641 22.9819 89.2532 0.00385585 -0.00221143 0.0120752 56
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16904 294 H 32.6824 19.6958 91.1962 -0.0130348 0.00215635 -0.00318726 56
16905 295 H 31.5226 20.8466 91.7464 0.000172502 0.00358784 0.000588688 56
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16911 301 H 33.2577 22.0533 96.3488 -0.00829803 -0.00554767 0.00222928 56
16912 302 H 34.6459 21.4119 95.4755 -0.000198294 0.00504888 0.00115031 56
16913 1 C 35.814 21.9764 79.4531 -0.00111634 0.00115867 0.000199165 57
16914 2 C 35.8435 21.7739 78.0418 0.00337809 0.00556454 0.00443268 57
16915 3 C 35.1806 20.6627 77.5286 -0.000863893 -0.000282078 -0.00314997 57
16916 4 C 34.5396 19.7632 78.4021 0.00233251 -0.000578797 0.00178214 57
16917 5 C 34.5346 19.9382 79.7885 0.000352653 -0.00349751 0.000524475 57
16918 6 C 35.1566 21.0969 80.3281 -0.000503356 0.000495717 0.00194683 57
16919 7 C 30.0204 18.7623 80.1284 -0.0024052 -0.00208092 -0.00064002 57
16920 8 C 29.9792 18.5626 78.7097 0.000913526 0.000242034 -0.002136 57
16921 9 C 31.1352 18.5199 77.9783 0.00363222 0.00143739 -0.00197821 57
16922 10 C 32.3879 18.6706 78.6239 0.00172648 -7.66766e-05 -2.58563e-06 57
16923 11 C 32.4068 18.8147 80.0522 0.00330498 -0.0028522 -0.00132458 57
16924 12 C 31.2154 18.9108 80.8052 0.000821523 -0.0023588 -0.00253307 57
16925 13 C 35.7953 15.3983 80.0086 0.000779093 -0.000861156 -0.00437585 57
16926 14 C 35.8293 15.426 78.6015 -0.00261041 -0.00602883 0.000978668 57
16927 15 C 35.192 16.435 77.8832 0.00198227 -0.00157495 -0.00324484 57
16928 16 C 34.5082 17.4188 78.6148 0.000265649 0.00245843 0.00445453 57
16929 17 C 33.745 18.5456 77.9289 -3.4146e-05 -0.000370017 -0.00138335 57
16930 18 O 35.073 16.317 82.1512 -0.000385084 0.00310704 -4.30114e-05 57
16931 19 O 31.2018 19.2507 82.1779 -0.00199053 0.00350521 0.00473658 57
16932 20 O 35.2178 21.3348 81.701 0.00519316 0.000281441 -0.000206805 57
16933 21 C 35.1261 16.3991 80.767 -0.000923947 -0.00226325 0.000316485 57
16934 22 C 33.6062 18.3436 76.4555 -0.000255364 0.000705439 0.00189678 57
16935 23 C 33.3761 18.0926 75.2917 -0.00197411 -0.000306071 -0.00188208 57
16936 24 C 33.0884 17.7133 73.9291 0.00129276 0.00317293 0.00611457 57
16937 25 C 33.0069 18.6366 72.8612 0.00268456 0.00710639 -0.00173232 57
16938 26 C 32.5907 18.2326 71.607 0.00162016 0.00136965 0.00150159 57
16939 27 C 32.2726 16.8536 71.3926 -0.000119269 0.00091524 -0.00208196 57
16940 28 C 32.4016 15.9215 72.4074 0.000854776 -0.00211217 0.00291915 57
16941 29 C 32.764 16.365 73.7053 0.00389396 0.00209126 0.00132161 57
16942 30 C 32.0503 16.4133 70.0197 -0.00101822 -0.00313988 -0.00147393 57
16943 31 C 31.885 16.1128 68.8306 -0.00189372 -0.00385205 -0.00068039 57
16944 32 C 30.2136 12.3265 67.1939 -0.000644008 0.0071989 0.00146262 57
16945 33 C 30.3217 12.0992 65.8232 0.000912902 -0.00261332 7.91949e-05 57
16946 34 C 30.763 13.1071 64.9469 -0.00304332 0.00141083 -0.00427964 57
16947 35 C 31.0953 14.3697 65.4816 -0.000746358 0.000103131 -0.00309226 57
16948 36 C 31.1106 14.5533 66.9137 -0.00220906 0.00443319 -0.0021598 57
16949 37 C 30.6021 13.5393 67.7601 0.00161135 0.00465672 -0.00117105 57
16950 38 C 31.7956 15.8807 67.3788 0.00076797 0.000355317 0.000369942 57
16951 39 C 35.542 15.6476 66.5355 -0.000250193 0.000869029 0.00126878 57
16952 40 C 35.4741 15.5604 65.126 -0.00213419 0.000184104 0.00146043 57
16953 41 C 34.242 15.7069 64.4778 0.00315814 0.00426935 -0.00129432 57
16954 42 C 33.0854 15.634 65.2612 0.00547867 -0.00116679 0.000388134 57
16955 43 C 33.1841 15.7478 66.6661 -0.00310816 0.000825049 -0.000933891 57
16956 44 C 34.4135 15.7768 67.3197 -0.000597341 0.00279954 0.000765806 57
16957 45 C 29.816 19.0795 66.3861 0.00332811 -0.000731431 0.000227373 57
16958 46 C 29.6665 18.8515 65.0152 -0.0031281 -0.00237285 0.00074182 57
16959 47 C 30.2814 17.723 64.4407 -0.00273118 -0.00341234 0.00580174 57
16960 48 C 30.9325 16.7687 65.2247 0.00122012 -0.00397719 -0.000151977 57
16961 49 C 31.6934 15.5151 64.6977 0.00295242 0.00151694 0.00448385 57
16962 50 C 31.0343 16.9855 66.6177 -0.00461551 -0.000897782 -0.000913275 57
16963 51 C 30.49 18.1517 67.1874 0.00269489 -0.0020676 0.00310224 57
16964 52 O 34.1549 15.8337 63.1479 0.000459648 0.00147496 0.0016816 57
16965 53 O 31.0116 12.8918 63.6043 0.00081837 -0.00145434 0.00119101 57
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16967 55 C 33.8501 18.8114 80.5691 0.000447046 -0.00411158 0.000864363 57
16968 56 C 34.5316 17.5013 80.0405 -0.000411607 0.00326977 0.000661948 57
16969 57 C 33.8917 14.7063 62.2776 -0.00174293 0.000785045 -0.00325353 57
16970 58 C 32.7707 15.0886 61.2589 -0.00222711 0.00184435 0.00117978 57
16971 59 C 33.1187 14.6609 59.8246 0.00219128 0.00133648 -3.08457e-05 57
16972 60 C 32.0066 14.912 58.8441 0.00190794 -0.00296058 0.000660514 57
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16974 62 C 31.4124 14.7244 56.394 0.00255851 0.00290958 0.00118581 57
16975 63 C 31.6647 15.3871 55.0058 0.00474753 0.00491816 0.000593355 57
16976 64 C 33.0002 15.0259 54.3987 -0.00257788 0.00288362 -0.00761455 57
16977 65 C 33.0645 15.366 52.915 -0.00163471 -0.000121812 0.00277448 57
16978 66 C 32.3794 14.3084 52.0084 -0.00221682 -0.0063306 0.00129201 57
16979 67 C 32.3769 14.7745 50.532 0.00504968 0.00398876 -0.000424373 57
16980 68 C 31.3355 15.9211 50.3033 0.00422652 0.00296295 0.00122374 57
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16982 70 C 31.4495 11.5962 63.131 -0.00132831 -0.000193544 0.00294539 57
16983 71 C 31.9137 11.7086 61.6599 0.00218614 0.000732592 -0.000261676 57
16984 72 C 32.1848 10.2859 61.0865 0.00190774 -0.0017808 -0.000231654 57
16985 73 C 32.438 10.1827 59.6033 0.000146667 -0.000896836 0.00509769 57
16986 74 C 31.3815 10.8546 58.7675 0.000364465 0.000748304 -0.000459601 57
16987 75 C 31.3705 10.4737 57.2608 -0.000522219 0.00133635 0.000425054 57
16988 76 C 32.7542 10.6507 56.5883 -0.000325908 0.00287286 -0.00207424 57
16989 77 C 32.6672 11.1216 55.1081 -0.00178232 0.00103282 -0.00114571 57
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16992 80 C 32.2383 9.54426 51.5304 -0.000547426 -0.00152979 -0.00269114 57
16993 81 C 32.3121 10.2373 50.1671 -0.000532327 -0.00232774 0.000496048 57
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16995 83 C 29.4328 17.3642 60.8594 0.000972209 0.00302939 0.00641261 57
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16997 85 C 29.2268 17.3805 58.3614 -0.00390357 -0.000275615 0.000853448 57
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17000 88 C 27.4029 17.616 54.7581 0.00147032 -8.68303e-05 -0.00509323 57
17001 89 C 28.5558 17.0957 53.8476 0.00291161 -0.00525365 -0.00181422 57
17002 90 C 28.6134 17.7701 52.4512 -0.000146432 -0.0033738 0.00100185 57
17003 91 C 27.5622 17.2267 51.4606 -0.00119497 -0.00180434 -0.00194149 57
17004 92 C 27.644 18.0426 50.1581 0.00472384 -0.000160457 -0.000881257 57
17005 93 C 26.5041 17.7156 49.2011 0.00274826 -0.000794901 4.46407e-05 57
17006 94 C 30.0446 19.9266 82.7532 0.00183249 1.02968e-05 0.00281907 57
17007 95 C 28.9554 18.9528 83.2699 -0.000284094 0.000809595 -0.000435916 57
17008 96 C 28.3589 19.1044 84.7187 0.00136759 0.00184999 8.31194e-05 57
17009 97 C 29.4113 19.0843 85.8133 -0.0027948 0.001237 -0.000357142 57
17010 98 C 28.8329 19.0258 87.2416 0.00506644 -0.00326932 -0.00105282 57
17011 99 C 30.0292 18.6656 88.1587 0.000187108 -0.000561198 0.00267865 57
17012 100 C 30.0623 19.1712 89.6139 0.000200504 0.000328224 -0.00327429 57
17013 101 C 28.8298 18.906 90.4485 -0.00543018 0.00186595 -0.00137924 57
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17518 2 C 43.4498 21.9117 78.1499 0.00139932 0.00247849 -0.0009545 59
17519 3 C 42.9102 20.7598 77.5701 0.00204682 -0.000160407 0.000222785 59
17520 4 C 42.3951 19.7463 78.3888 -0.00241063 -0.00150632 0.00485186 59
17521 5 C 42.3968 19.8148 79.8129 -0.00176202 0.0029838 -0.00562797 59
17522 6 C 42.9277 20.9981 80.3959 0.00111698 -0.00208137 -0.00333727 59
17523 7 C 37.8666 18.5652 79.7209 -0.000496243 -0.000180134 0.00145358 59
17524 8 C 37.8821 18.4881 78.3196 0.00142555 0.00190546 0.00113886 59
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17529 13 C 43.5138 15.1584 80.0575 0.000536021 0.00313668 0.00153431 59
17530 14 C 43.5535 15.1372 78.649 0.00429971 0.00426496 0.00159875 59
17531 15 C 42.9626 16.1449 77.9207 0.00210611 -0.00372869 -0.00530802 59
17532 16 C 42.388 17.2597 78.5884 -0.00192679 -0.00132816 -0.000383169 59
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17539 23 C 41.5249 18.0996 75.2078 0.00172754 0.00203474 -0.00163758 59
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17541 25 C 40.0333 18.3216 73.2258 0.000129631 0.0036473 -0.00250803 59
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17543 27 C 40.3647 16.7827 71.3649 -0.000196641 -0.00194537 0.00038635 59
17544 28 C 41.4952 16.2347 71.9986 -0.00123364 -0.00432554 -0.00220659 59
17545 29 C 41.8814 16.6858 73.2855 -0.00234781 0.000367219 0.00364354 59
17546 30 C 39.9687 16.3379 70.0486 0.00221037 -0.00293153 0.00190991 59
17547 31 C 39.7686 15.9768 68.8981 0.00146139 0.00320855 -0.0058839 59
17548 32 C 37.9099 12.2913 67.0586 -0.000517311 -0.000166015 0.00247698 59
17549 33 C 38.026 12.146 65.6509 -0.00293792 -0.00265544 -0.000361253 59
17550 34 C 38.4716 13.2012 64.8639 0.00313113 0.00479291 -0.00341226 59
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17552 36 C 38.8853 14.518 66.9257 -0.00157422 -0.000584112 0.00546145 59
17553 37 C 38.3932 13.4312 67.7001 0.00363653 0.000360715 0.00449176 59
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17555 39 C 43.3233 15.4946 66.5133 0.00502682 -0.000785969 0.000249736 59
17556 40 C 43.2509 15.5416 65.1073 -0.00393347 -0.000508173 0.000113286 59
17557 41 C 41.9906 15.7463 64.5138 -0.000221681 0.0032974 -0.00326731 59
17558 42 C 40.8503 15.7858 65.3412 0.00207899 0.000752525 -0.00313098 59
17559 43 C 40.9481 15.8013 66.7426 0.00506568 -0.00463889 -0.000550847 59
17560 44 C 42.2247 15.6857 67.3566 0.000293057 -0.00343387 -0.00158395 59
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17562 46 C 37.2353 18.7825 65.3161 -0.00139082 -0.00106103 7.55619e-05 59
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17564 48 C 38.6359 16.8084 65.3727 0.00353261 0.00249105 0.000801281 59
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17566 50 C 38.7739 16.9758 66.76 -0.000138499 0.00575658 -0.00160458 59
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17572 56 C 42.3549 17.306 79.9892 0.000886646 0.00374586 0.00238485 59
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17575 59 C 41.0694 14.777 59.7348 0.00168873 -0.000190436 1.75791e-05 59
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17577 61 C 40.8333 14.5103 57.1793 0.00206705 0.000912715 0.00119806 59
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17580 64 C 40.8778 15.222 53.3053 0.000429629 -0.00112695 -0.0029602 59
17581 65 C 40.427 14.5231 52.03 0.00094843 -0.000324863 -0.000271747 59
17582 66 C 40.6273 15.4454 50.8162 0.00401887 -0.000113791 0.00174683 59
17583 67 C 39.7663 15.073 49.5554 0.0020388 -0.00279012 0.000810532 59
17584 68 C 39.9911 13.6447 49.0466 0.00143221 -0.000366091 -0.00543359 59
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17589 73 C 40.2179 10.0304 59.6843 -0.00311267 -0.00223147 0.00298306 59
17590 74 C 40.7067 11.251 58.8025 -0.00127343 -0.000951729 0.000847768 59
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17598 82 C 38.281 17.3409 62.1891 0.00186191 3.3665e-05 2.5919e-05 59
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17616 100 C 36.8267 19.7114 89.4453 0.00350309 0.00305781 0.000844746 59
17617 101 C 37.3995 19.0493 90.7024 0.00107115 0.00625197 -0.00984149 59
17618 102 C 36.9836 19.8267 91.9561 0.000848028 -0.000634793 -0.000441882 59
17619 103 C 37.3439 19.0925 93.2484 -0.00115681 0.000172172 0.000702573 59
17620 104 C 36.8744 19.8616 94.474 0.00032785 -0.00275148 0.000792751 59
17621 105 C 37.278 19.2025 95.8124 0.000817917 0.000355975 -0.00143121 59
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17623 107 C 43.5443 22.4385 83.8637 -5.28816e-05 0.00350439 0.00454708 59
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17625 109 C 44.2056 23.0542 86.2181 0.00144214 0.00104938 0.00280682 59
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17628 112 C 44.4438 24.0821 90.0425 -0.00279714 0.00470121 -0.00413228 59
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17645 129 C 43.4914 14.798 95.889 0.00271381 0.00729806 0.00127087 59
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18926 202 H 8.12601 23.9313 49.3193 0.00106932 0.00659868 0.00366508 63
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19005 281 H 11.1529 28.9226 85.0265 0.0117185 0.00440514 0.00702747 63
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19028 2 C 16.2935 42.3519 78.7358 0.001881 -0.000464283 0.00543855 64
19029 3 C 15.7208 41.2812 78.0827 -0.000211701 2.37456e-05 -0.00075807 64
19030 4 C 15.0773 40.2801 78.8306 -0.000445698 -0.000982709 0.00183464 64
19031 5 C 15.0457 40.3406 80.2224 -0.00106535 0.00127764 0.00242849 64
19032 6 C 15.5631 41.4489 80.9316 0.00278868 0.00335835 -0.00372995 64
19033 7 C 10.5545 39.037 79.8815 0.00265537 -0.00404256 -0.0021386 64
19034 8 C 10.6908 38.9964 78.4642 0.00204896 0.000267981 0.00120805 64
19035 9 C 11.9664 38.9261 77.8951 0.00258757 -0.00434433 -0.00264636 64
19036 10 C 13.1074 39.0139 78.7086 0.00145144 -0.00652344 -0.00213421 64
19037 11 C 12.9794 39.055 80.0876 -0.00209247 0.00142584 0.00316444 64
19038 12 C 11.6917 39.1186 80.6913 -0.0035132 0.00242553 0.00260053 64
19039 13 C 16.2859 35.7266 80.3373 -0.00394013 -0.00169633 -0.000263486 64
19040 14 C 16.379 35.7376 78.9336 0.00263203 -0.00363926 0.00176126 64
19041 15 C 15.9115 36.8804 78.2047 -0.00335717 -0.00066262 -0.00114096 64
19042 16 C 15.2051 37.8608 78.8862 0.00355623 0.000606808 0.00196767 64
19043 17 C 14.5177 39.0204 78.1755 0.00172278 0.00141964 -0.00271151 64
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19048 22 C 14.5877 38.9165 76.6902 0.000669682 0.00262748 0.000528193 64
19049 23 C 14.5521 38.6547 75.5212 0.00153235 0.00469058 -0.00103807 64
19050 24 C 14.2978 38.2025 74.1994 0.00360147 0.00594871 -0.00141794 64
19051 25 C 13.5657 39.0366 73.321 0.0016069 0.000843572 0.00140132 64
19052 26 C 13.1989 38.5851 72.0082 0.0067898 -0.00104123 -0.00192327 64
19053 27 C 13.5572 37.269 71.629 0.00379015 -0.00152581 -0.00342447 64
19054 28 C 14.3152 36.4539 72.5074 0.00439549 0.00222071 0.00206777 64
19055 29 C 14.6566 36.9199 73.7878 -0.00403334 0.000528391 0.00109777 64
19056 30 C 13.1524 36.748 70.3736 -0.0031869 -2.31638e-05 0.00387441 64
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19513 185 H 15.6466 22.9979 60.0763 -0.00298977 -0.00360553 -0.0296528 65
19514 186 H 15.7756 25.3303 58.9941 0.000139671 0.00333345 -0.0101388 65
19515 187 H 17.5084 25.0748 58.7307 -0.00120018 -0.000364735 0.0108038 65
19516 188 H 16.9001 22.9362 57.453 0.0118496 0.00647846 -0.000812953 65
19517 189 H 15.2312 23.3127 57.6705 -0.00169411 -0.00423319 -0.000177749 65
19518 190 H 15.481 25.3548 56.3115 -0.00711951 -0.00635007 -0.00249149 65
19519 191 H 17.2867 25.0559 56.2446 0.00631565 -0.0150645 0.0192011 65
19520 192 H 16.7699 22.9268 55.0988 0.0108575 0.00805671 -0.00583672 65
19521 193 H 15.0877 23.3548 55.0193 -0.00569616 0.0115653 0.00297634 65
19522 194 H 15.5491 25.4246 53.7757 0.00241375 0.00200337 -0.00442654 65
19523 195 H 17.2966 25.0912 53.855 0.000132396 0.0115683 0.00474142 65
19524 196 H 17.0267 23.0221 52.5964 0.00129569 -0.00517342 -0.0107917 65
19525 197 H 15.2422 23.2859 52.5573 0.00483677 -0.0112627 0.00601499 65
19526 198 H 15.5662 25.2377 51.0954 0.00450915 0.00215623 -0.0217279 65
19527 199 H 17.3045 25.2916 51.3881 -0.00591347 0.00544332 -0.00689144 65
19528 200 H 16.4668 24.325 49.0839 -0.0146729 0.0101623 0.0071279 65
19529 201 H 17.6912 23.3827 49.8763 0.000473033 0.00514021 -0.00668922 65
19530 202 H 16.032 22.8645 49.986 0.0103114 -0.00985271 -0.000373003 65
19531 203 H 12.7118 30.8145 64.0446 0.00260382 -0.00300561 0.00298463 65
19532 204 H 12.9536 32.1304 62.9676 0.014328 0.00586174 -0.00898601 65
19533 205 H 14.2189 29.5065 62.089 0.00241604 -0.000720975 -0.00679154 65
19534 206 H 12.5036 29.4872 62.0264 0.00316384 -0.00324901 -0.00928677 65
19535 207 H 12.6031 31.7335 60.7832 -0.00347822 -0.00308491 -0.000123508 65
19536 208 H 14.3046 31.5522 60.6441 0.00638883 -0.0122702 -0.00771254 65
19537 209 H 14.1662 29.6564 59.2803 0.00586247 -0.0111066 0.00940307 65
19538 210 H 12.4354 29.3702 59.6506 0.0158629 -0.0193208 0.000489365 65
19539 211 H 11.8562 31.4374 58.4063 -0.00167377 -0.00860424 0.0118031 65
19540 212 H 13.5489 31.8635 58.2232 -0.00580689 0.00384472 -0.00269421 65
19541 213 H 13.8751 29.7188 56.9261 -0.00214739 -0.00692483 -0.00585708 65
19542 214 H 12.1247 29.4445 57.1048 0.00514163 -0.00250339 -0.00419504 65
19543 215 H 11.8221 31.6752 55.8531 -0.00422017 -0.00116246 -0.00384324 65
19544 216 H 13.5196 31.8593 55.5714 0.0123751 -0.00256245 0.0156689 65
19545 217 H 13.5668 29.6024 54.3908 -0.0003592 0.00272817 0.000780923 65
19546 218 H 11.8422 29.4712 54.5435 0.00695067 -0.00284852 -0.011228 65
19547 219 H 11.6 31.6033 53.234 -0.00532676 -0.00731257 0.00301814 65
19548 220 H 13.3241 31.7924 53.0941 -0.00769246 0.00327544 -0.000382695 65
19549 221 H 13.4345 29.5767 51.8602 0.010245 0.011858 -0.00944458 65
19550 222 H 11.6559 29.4831 51.9495 -0.00283718 0.00726047 0.00874336 65
19551 223 H 11.5295 31.6241 50.6766 0.00400798 0.00485475 0.00937943 65
19552 224 H 13.277 31.835 50.7196 0.00254421 0.00237484 -0.00760221 65
19553 225 H 13.4912 29.6717 49.3875 -0.00818938 -0.00900767 0.0062818 65
19554 226 H 11.6922 29.7947 49.2212 0.00316416 -0.00562916 -0.0199725 65
19555 227 H 12.7065 31.0859 48.5755 0.00187785 -0.00589874 -0.00422276 65
19556 228 H 14.1151 34.0849 82.4253 -0.00744631 -0.000550644 -0.00424392 65
19557 229 H 13.2081 32.6078 82.0496 -0.00169567 0.0153112 -0.0115115 65
19558 230 H 14.3586 31.5442 84.047 0.00421099 -0.00147663 -0.0118637 65
19559 231 H 14.8064 33.1421 84.6273 -0.000130462 -0.00738823 0.00373697 65
19560 232 H 12.2412 33.7127 84.3786 -0.00135893 -0.0010205 0.00137014 65
19561 233 H 12.0298 32.0145 83.8657 0.00807143 -0.00580443 -0.00367886 65
19562 234 H 11.3811 32.4313 86.248 -9.42836e-05 0.00843633 0.00300144 65
19563 235 H 12.6221 31.2001 86.0809 0.00264175 0.00312636 -0.00402352 65
19564 236 H 14.329 32.9275 86.8391 0.00609831 0.00830264 -0.0168649 65
19565 237 H 13.1057 34.1957 86.8063 -0.0112278 0.000616962 0.0110045 65
19566 238 H 11.8285 32.7547 88.6066 0.00280778 -0.00280004 0.000149796 65
19567 239 H 13.0717 31.5544 88.4469 0.00469221 -0.00103778 0.00792316 65
19568 240 H 14.756 33.0784 89.4215 0.00271754 0.00213475 0.00318803 65
19569 241 H 13.5084 34.353 89.5637 -0.00776791 4.20101e-06 0.00382661 65
19570 242 H 12.1789 32.7879 91.0102 -0.00493816 -0.00631502 -0.0159355 65
19571 243 H 13.5226 31.6258 90.8544 0.000272497 0.00364405 0.00560524 65
19572 244 H 15.0494 33.3692 91.8745 0.000124707 -0.00635193 -0.00666788 65
19573 245 H 13.702 34.4016 92.1999 -0.00300894 -0.00197868 -0.00894033 65
19574 246 H 12.685 32.5218 93.5962 -0.00223091 0.0166261 -0.0142127 65
19575 247 H 14.1466 31.5217 93.2264 -0.0131285 -0.00794922 -0.0100921 65
19576 248 H 15.5867 33.2214 94.254 0.00150947 0.00321615 0.017777 65
19577 249 H 14.1854 34.2509 94.5794 -0.00518778 -0.000496584 0.00817123 65
19578 250 H 14.5939 31.4171 95.7979 -0.000813627 0.00173425 -0.016244 65
19579 251 H 14.6729 33.0326 96.6678 -0.0172815 0.0103979 0.00301075 65
19580 252 H 13.1915 32.4249 95.8915 -0.0023575 0.0142675 -0.0245517 65
19581 253 H 21.176 36.1559 81.6723 0.00549911 0.0122425 0.0112032 65
19582 254 H 19.6013 36.9707 81.74 -0.00223367 -0.000309443 0.00313852 65
19583 255 H 19.367 36.1032 84.0864 -8.34986e-05 -0.00865106 -0.00338881 65
19584 256 H 21.0067 35.4037 83.9852 -0.0088504 0.000477815 0.0126314 65
19585 257 H 22.1339 37.4146 83.8372 -0.00516198 -0.00202932 -0.00847576 65
19586 258 H 20.761 38.3309 83.411 0.00316067 0.00464142 0.00347946 65
19587 259 H 20.8936 39.0027 85.5977 0.00392119 -0.00094362 0.00708389 65
19588 260 H 19.7061 37.6879 85.6405 -0.000410996 0.00445435 0.00332 65
19589 261 H 21.2352 36.1022 86.564 0.0111736 0.000152794 -0.00174879 65
19590 262 H 22.6084 37.2134 86.3997 -0.00230428 -0.00393522 -0.0055356 65
19591 263 H 21.4362 38.7725 87.9831 -0.014689 0.00583439 0.0201757 65
19592 264 H 20.0227 37.7556 87.9815 0.00458659 -0.00377172 0.000986872 65
19593 265 H 21.3962 35.9728 89.1858 -0.00641214 -0.00188404 -0.00476979 65
19594 266 H 22.8318 37.0585 89.1469 -0.00132031 0.00655674 0.00253876 65
19595 267 H 21.5508 38.7717 90.5126 0.0197358 -0.00322137 0.00146963 65
19596 268 H 20.11 37.8849 90.4095 0.00111802 0.000576692 -0.00278828 65
19597 269 H 21.3319 35.8965 91.6486 0.00484273 -0.00289892 0.00156352 65
19598 270 H 22.6988 37.0038 91.8149 0.00360222 -0.00143598 -0.0060825 65
19599 271 H 21.2508 38.6227 93.0249 -0.013819 0.00450529 0.0114937 65
19600 272 H 19.8891 37.5076 92.9216 0.00433553 0.000248535 -0.0123612 65
19601 273 H 21.1438 35.8217 94.248 0.00513687 -0.000461823 0.0116356 65
19602 274 H 22.543 36.8211 94.3043 0.00259269 0.0159547 0.00394637 65
19603 275 H 21.1353 38.6 95.574 0.00404603 -0.000107185 -0.000537842 65
19604 276 H 19.831 37.3973 95.5889 -0.000684312 0.000475717 0.0142133 65
19605 277 H 21.3662 37.0714 96.4549 -0.0062378 -0.00417056 -0.00010291 65
19606 278 H 19.3824 28.4945 83.2845 -0.0081016 0.0108051 0.00494063 65
19607 279 H 21.1069 28.7868 82.9593 0.000853754 0.0103476 -0.0118336 65
19608 280 H 19.3372 29.7684 85.2551 -0.000702092 0.0119382 -0.0188044 65
19609 281 H 21.109 30.1312 85.135 0.0113978 -0.00635132 -0.00546767 65
19610 282 H 21.4591 27.5776 85.2511 0.00469087 -0.00120308 0.00388751 65
19611 283 H 19.7887 27.4056 85.4056 0.00241671 -0.00324503 0.000120453 65
19612 284 H 21.3791 29.0719 87.3676 -0.00132596 -0.00381883 0.013503 65
19613 285 H 21.2259 27.4098 87.5745 -0.00525213 -0.0055542 -0.00116902 65
19614 286 H 18.5585 28.0894 87.2747 -0.0118158 -0.0048398 0.0113364 65
19615 287 H 19.2382 29.6234 87.8417 0.0051346 -0.00145312 -0.00976497 65
19616 288 H 19.4504 26.9544 89.2417 -0.00340833 0.00181678 0.00161565 65
19617 289 H 18.3718 28.3447 89.6471 -0.000721371 0.0103877 -0.00645554 65
19618 290 H 20.2801 29.6923 90.2512 -0.0116538 -0.00236975 -0.0122369 65
19619 291 H 21.4102 28.3114 89.8992 -0.00241926 -0.00255559 -0.00167998 65
19620 292 H 20.1554 26.8739 91.5238 -0.0116058 -0.00413188 0.0131421 65
19621 293 H 19.0296 28.1226 91.8474 0.00634601 0.0144054 0.00583918 65
19622 294 H 20.9415 29.4927 92.8804 -0.0131399 0.0026968 -0.0126903 65
19623 295 H 21.9918 28.0964 92.6468 -0.00104878 0.0113142 -0.00762923 65
19624 296 H 20.5927 26.6498 94.0763 -0.00101563 -4.27196e-05 0.0116928 65
19625 297 H 19.3106 27.8554 94.1831 0.00347219 -0.00450106 0.0169217 65
19626 298 H 20.6037 29.1938 95.6759 -0.00280876 -0.00280128 0.000843851 65
19627 299 H 22.143 28.5582 95.1066 0.00323852 -0.0204426 -0.000250976 65
19628 300 H 21.8455 26.43 96.1796 0.00187868 0.0071223 -0.0173322 65
19629 301 H 20.1888 26.7654 96.6657 0.00209648 -0.0131582 -0.0132923 65
19630 302 H 21.609 27.6744 97.3654 0.00414008 -0.00131328 -0.00209393 65
19631 1 C 24.0333 42.3318 79.0869 -0.00193799 6.76876e-05 0.00355522 66
19632 2 C 23.9738 42.2332 77.6918 -0.000845393 -0.000219338 0.00181704 66
19633 3 C 23.4137 41.1119 77.066 0.0015793 0.00346346 -0.00234708 66
19634 4 C 22.8607 40.1493 77.9485 0.00312491 -0.00198128 -0.000673782 66
19635 5 C 22.8774 40.2498 79.364 0.00494213 0.00301616 -0.0022423 66
19636 6 C 23.4812 41.3518 79.9407 0.001196 6.03651e-06 -0.00208717 66
19637 7 C 18.3291 39.2521 79.2531 0.0047298 0.000651942 0.000236528 66
19638 8 C 18.3874 39.1845 77.8243 -0.00206064 0.00120472 -0.000111697 66
19639 9 C 19.6178 38.9787 77.2336 0.000716882 0.000765494 0.000667254 66
19640 10 C 20.8196 38.8873 78.0192 0.00208842 0.00484485 -0.00284244 66
19641 11 C 20.7961 39.0031 79.435 0.00178053 -0.00293393 0.00483633 66
19642 12 C 19.5225 39.1954 80.0308 0.00401493 2.09245e-05 -0.00320878 66
19643 13 C 24.0733 35.6766 79.7023 0.00129211 0.00176274 -7.44053e-05 66
19644 14 C 24.0602 35.6338 78.2926 0.00222186 -0.00489356 -0.00196299 66
19645 15 C 23.4977 36.6314 77.5532 -0.00186186 -0.00106735 -0.00253009 66
19646 16 C 22.8757 37.6995 78.2197 -0.00392796 0.00121622 0.000147456 66
19647 17 C 22.2244 38.8749 77.4511 -0.0027893 0.000363674 0.00222751 66
19648 18 O 23.5283 36.7382 81.8349 0.00167272 -0.00168065 8.7912e-05 66
19649 19 O 19.4155 39.2814 81.4074 -0.000674923 0.000753072 0.00481835 66
19650 20 O 23.4453 41.4971 81.2887 0.00023822 0.00602799 -0.000805588 66
19651 21 C 23.4734 36.7458 80.4365 0.0016697 0.00464055 0.00286643 66
19652 22 C 22.2323 38.6522 75.9902 -0.000304213 0.00356035 -0.000457017 66
19653 23 C 22.1614 38.3058 74.8333 -0.000169744 0.000336834 0.00140603 66
19654 24 C 21.8121 37.8653 73.5298 -0.00033003 5.03193e-05 -0.000910182 66
19655 25 C 20.7895 38.48 72.8145 -0.00219961 0.00271554 0.00170753 66
19656 26 C 20.3506 37.931 71.6252 0.001153 5.40804e-05 -0.00186624 66
19657 27 C 20.952 36.7447 71.1814 -0.00611944 0.00169724 -0.00259536 66
19658 28 C 21.9386 36.1196 71.9081 0.00200094 0.00181604 0.000164031 66
19659 29 C 22.4313 36.7127 73.0586 0.00351582 0.00102067 -0.00489615 66
19660 30 C 20.5552 36.2607 69.911 0.00233468 -0.000707752 -0.0027067 66
19661 31 C 20.2877 35.9893 68.7721 -0.00265 -0.000169212 -0.00272428 66
19662 32 C 18.284 32.5434 66.9993 0.00131391 -0.00234163 -0.003144 66
19663 33 C 18.3168 32.4208 65.6099 0.00433059 0.00332104 -0.0013687 66
19664 34 C 18.8582 33.431 64.8025 0.000218839 0.00372348 -4.17314e-05 66
19665 35 C 19.4174 34.5616 65.3888 -0.000241369 -0.00294785 -0.000417442 66
19666 36 C 19.4393 34.6541 66.8076 0.00213223 -0.00392707 -0.00144115 66
19667 37 C 18.8415 33.6637 67.6152 0.00388038 0.00240227 0.000284685 66
19668 38 C 20.1939 35.9095 67.314 -0.000459342 -0.000998175 0.000970115 66
19669 39 C 23.9575 36.2681 66.342 -0.0060998 -0.000624837 -0.00216718 66
19670 40 C 23.8458 36.0011 64.9775 -0.00123294 0.00132945 -0.00190581 66
19671 41 C 22.5825 35.7766 64.4246 0.00105686 0.00320343 0.00111441 66
19672 42 C 21.461 35.7681 65.2431 -0.00245978 0.00477208 0.00017577 66
19673 43 C 21.5633 35.9008 66.6262 0.00799746 0.00219578 0.000314806 66
19674 44 C 22.8123 36.2152 67.1724 -0.00129363 -0.00236265 -0.000991752 66
19675 45 C 18.3219 39.2375 66.6506 0.00136163 -0.00202784 -0.000189782 66
19676 46 C 18.3302 39.2048 65.2553 0.00100643 0.0035567 0.00158512 66
19677 47 C 18.8381 38.1252 64.5235 0.000540698 -0.0010712 0.000845246 66
19678 48 C 19.3784 37.0192 65.2189 -0.00407904 -0.000356869 -0.00403688 66
19679 49 C 20.0373 35.7185 64.6825 0.00450224 0.00251847 -0.00521681 66
19680 50 C 19.451 37.0703 66.6472 0.000231982 -0.00263046 0.000461797 66
19681 51 C 18.9498 38.2019 67.3391 -0.000330496 -0.00261939 0.00252762 66
19682 52 O 22.4318 35.5176 63.0955 -0.00174945 -0.000194114 0.000260096 66
19683 53 O 18.8978 33.2085 63.4564 0.000686396 0.00160981 0.0018894 66
19684 54 O 18.8565 38.1928 63.1383 -0.00790098 0.000531796 0.00317782 66
19685 55 C 22.2069 39.0661 80.1084 -0.00520431 0.00333431 -0.000725841 66
19686 56 C 22.8869 37.7547 79.6487 0.000526738 0.00136707 0.000321844 66
19687 57 C 22.1808 34.1502 62.8324 0.00143969 0.000729235 0.000392762 66
19688 58 C 21.6741 33.9309 61.4196 -0.00162564 -0.00044245 -0.00179555 66
19689 59 C 21.2475 35.1254 60.5887 0.00432942 3.0204e-05 0.000450846 66
19690 60 C 21.0257 34.6878 59.1408 -0.000954671 0.00441358 0.00689525 66
19691 61 C 20.7056 35.8716 58.2135 0.00130884 -2.86157e-05 0.00206321 66
19692 62 C 20.2498 35.4545 56.8393 -0.00190106 0.000953796 0.00278312 66
19693 63 C 21.3058 34.57 56.0983 0.00580533 0.00140836 -0.00163675 66
19694 64 C 20.9073 34.4616 54.6241 0.00281829 -0.00138654 0.00252459 66
19695 65 C 21.1395 35.7826 53.8087 3.45745e-05 -0.0032895 -0.000978405 66
19696 66 C 21.2654 35.6026 52.2646 -0.000496457 0.00412286 -0.00295619 66
19697 67 C 19.881 35.3164 51.6698 -0.00190879 0.00281789 0.00105437 66
19698 68 C 19.9055 34.9922 50.1421 -0.00185767 -0.00120525 0.00280183 66
19699 69 F 19.3483 38.5514 70.8951 0.0031103 -3.17587e-05 -0.00729942 66
19700 70 C 17.9374 33.8645 62.6916 -0.00308533 0.000268295 -0.00235348 66
19701 71 C 17.9172 33.216 61.2969 -0.00266628 -0.00116371 -0.00016217 66
19702 72 C 17.5859 34.2622 60.1983 -0.000469047 -0.00013097 0.0021077 66
19703 73 C 17.4759 33.7584 58.7557 0.0022025 7.64929e-05 -0.0016124 66
19704 74 C 16.5401 32.5729 58.5259 0.00143703 -0.00437784 -0.00467517 66
19705 75 C 15.9718 32.5349 57.1079 -0.00101534 0.000369642 0.00116839 66
19706 76 C 16.9896 32.5355 55.9111 -0.0034306 0.00399254 -0.000203943 66
19707 77 C 16.1605 32.4856 54.581 0.00312438 -0.00095332 0.00328999 66
19708 78 C 17.0141 32.545 53.2805 0.001883 0.00075849 -0.00128324 66
19709 79 C 16.0761 32.5643 52.0472 0.00406163 0.00105646 -0.00248158 66
19710 80 C 16.8062 32.5792 50.6855 -0.00218577 0.000186783 0.00079346 66
19711 81 C 15.7788 32.6902 49.4882 0.000128159 -0.00180658 -0.0038904 66
19712 82 C 20.1266 38.3671 62.5316 -0.00438008 -0.000834145 -5.94983e-05 66
19713 83 C 20.0462 38.2853 60.9995 0.00113784 -0.00251372 -0.00171056 66
19714 84 C 20.1111 39.6153 60.2417 0.0016438 -0.00313955 -0.000770852 66
19715 85 C 20.8974 39.5767 58.8994 -0.00238629 0.0073463 -0.00253281 66
19716 86 C 20.0976 39.5275 57.5895 0.000279076 0.00489233 0.0029444 66
19717 87 C 21.069 39.1127 56.3998 0.00365483 0.00157323 -0.000981224 66
19718 88 C 20.4225 38.7741 55.0524 0.00224583 -0.000700266 0.00384123 66
19719 89 C 19.8478 39.9647 54.2732 -0.00319319 0.000283289 0.00278054 66
19720 90 C 19.4279 39.5588 52.8503 0.00294237 -0.00112656 -0.000926971 66
19721 91 C 20.6061 39.5187 51.8758 0.000570974 -0.0016573 2.46803e-06 66
19722 92 C 20.2993 39.0994 50.4348 0.00296756 -0.00409054 0.00361158 66
19723 93 C 21.5231 38.699 49.5684 0.00366681 0.000642709 -0.00125552 66
19724 94 C 18.1875 39.5714 82.0382 0.00217575 -0.000963947 0.00308312 66
19725 95 C 18.2657 39.0459 83.5251 -0.000698307 -0.00359022 0.000754162 66
19726 96 C 17.0088 39.4346 84.3229 -0.000195884 -0.00320211 -0.00400482 66
19727 97 C 17.2782 39.1328 85.8144 -0.00283587 0.00231605 0.00126181 66
19728 98 C 16.6586 40.0924 86.8384 -0.00102233 -7.46602e-05 -6.40475e-06 66
19729 99 C 16.9552 39.6031 88.264 0.000490518 0.00372293 -0.00157552 66
19730 100 C 16.447 40.549 89.3605 0.00273989 0.000258905 -0.00150313 66
19731 101 C 16.6831 40.0661 90.8112 -0.00500137 0.00163422 -0.00153306 66
19732 102 C 18.1166 40.3482 91.2522 -0.00234561 0.00401627 -0.00327225 66
19733 103 C 18.3292 39.7196 92.6138 -0.000387264 -0.00406776 0.000893834 66
19734 104 C 17.5664 40.4151 93.7465 0.000127935 -0.00455863 0.000298022 66
19735 105 C 17.6404 39.7103 95.0966 -0.00217452 0.000223814 -0.0062473 66
19736 106 C 23.5769 42.7684 81.9357 -0.00258724 0.00239617 -0.00515844 66
19737 107 C 23.7744 42.3307 83.3746 0.00266865 -0.00012776 -0.00147674 66
19738 108 C 23.999 43.5059 84.3322 0.00256591 0.00224219 0.00100681 66
19739 109 C 24.4012 42.9924 85.7455 -0.00271425 -0.000373705 -0.00309726 66
19740 110 C 24.2938 44.0309 86.869 -0.000319482 0.0072419 -0.000198835 66
19741 111 C 24.9013 43.5035 88.1399 0.000391865 -0.00151424 0.00224941 66
19742 112 C 24.5654 44.3496 89.3742 0.000263209 -0.00239049 0.00454151 66
19743 113 C 25.1943 43.7458 90.6414 -0.00303324 0.000691792 -0.000682344 66
19744 114 C 24.7169 44.4854 91.9295 -0.00203194 0.000849346 -0.000102445 66
19745 115 C 25.2785 43.8463 93.2016 0.00335285 -0.000452512 0.000389382 66
19746 116 C 24.7293 44.4209 94.4824 0.0011022 -0.00283822 0.00159335 66
19747 117 C 25.1528 43.7695 95.8259 -8.83756e-05 0.000410268 -0.000103982 66
19748 118 C 24.1358 35.5932 82.4656 0.00331556 -0.00123643 0.00442702 66
19749 119 C 24.1863 35.496 83.9942 5.93645e-05 -0.000704482 -0.00197817 66
19750 120 C 24.9044 34.2005 84.4288 -0.00201493 0.00369707 0.00201656 66
19751 121 C 24.8004 33.7128 85.8993 0.00110727 0.00270651 -0.000808515 66
19752 122 C 24.5924 34.7728 87.0251 -0.00133416 -0.00246097 -0.00109984 66
19753 123 C 25.0364 34.1404 88.3548 0.000816437 -0.00205425 -0.00281726 66
19754 124 C 24.7447 34.9824 89.6388 0.00154473 0.00377752 -0.00181726 66
19755 125 C 25.2913 34.2554 90.8762 -0.00385664 0.0020697 -0.00102809 66
19756 126 C 24.736 34.8885 92.1814 0.000771847 -0.00125671 -0.00214509 66
19757 127 C 25.1338 34.0869 93.4174 0.00472988 0.000738683 -0.00397424 66
19758 128 C 24.319 34.4756 94.6923 -0.00190101 -0.00546092 -0.00181295 66
19759 129 C 24.7837 35.7939 95.3311 -0.00443198 0.00136848 0.0035539 66
19760 130 F 20.2244 39.5817 73.2594 0.00218813 -0.00202131 -0.000946595 66
19761 131 H 24.5595 43.1822 79.5104 -0.00289231 -0.000182131 0.00524266 66
19762 132 H 24.369 43.0403 77.082 -0.0109675 -0.00442427 -0.0103175 66
19763 133 H 23.3386 41.0555 75.984 -0.00377993 0.00079876 -0.00183795 66
19764 134 H 17.3468 39.366 79.702 0.00548968 -0.00260398 0.00272721 66
19765 135 H 17.4957 39.2686 77.2102 0.0122821 -0.0123141 -0.0227778 66
19766 136 H 19.6622 38.9701 76.1485 0.0011237 -0.000326226 0.000692745 66
19767 137 H 24.5279 34.8169 80.1857 -0.00679515 -0.00142192 0.00186573 66
19768 138 H 24.4236 34.7546 77.7687 0.00485552 0.00150699 -0.0108646 66
19769 139 H 23.4415 36.4916 76.4777 0.00883601 0.00123553 -0.00337403 66
19770 140 H 22.4091 35.2311 71.4977 0.0124509 0.00744229 -5.65776e-05 66
19771 141 H 23.2066 36.2008 73.6209 -0.0160755 -0.0240543 -0.00064689 66
19772 142 H 17.7909 31.8027 67.6219 0.0155551 -0.00708928 0.00247257 66
19773 143 H 17.8662 31.5484 65.146 -0.0140485 0.00761118 0.00840482 66
19774 144 H 18.8097 33.7972 68.6925 0.00677756 -0.00805907 0.00165089 66
19775 145 H 24.9359 36.4697 66.7678 -0.00764797 -0.0022739 0.00216413 66
19776 146 H 24.7436 35.9815 64.3669 0.00756097 -0.00280692 0.0111274 66
19777 147 H 22.9564 36.4463 68.2237 0.01417 -0.000685973 -0.00345195 66
19778 148 H 18.0094 40.0998 67.2321 0.0144195 0.00373252 -0.00169056 66
19779 149 H 17.9921 40.1116 64.7626 0.00539297 0.00928334 0.00908702 66
19780 150 H 19.9938 35.6875 63.5868 -0.00136835 -0.00912946 -0.00463206 66
19781 151 H 19.0618 38.2992 68.4149 0.00843303 0.00277535 0.0011321 66
19782 152 H 22.2307 39.1631 81.2008 0.00260043 -0.0106358 0.000361089 66
19783 153 H 23.0735 33.5469 63.0388 0.001159 -0.00286876 -0.00893228 66
19784 154 H 21.3884 33.8127 63.5118 0.00276048 0.00482132 0.00397622 66
19785 155 H 20.789 33.2924 61.5304 0.00951093 -0.013188 0.0138563 66
19786 156 H 22.3663 33.2412 60.9209 0.00340497 0.0011071 0.00304595 66
19787 157 H 22.0294 35.8946 60.6082 0.00371987 0.000607173 0.0020701 66
19788 158 H 20.312 35.5075 61.0155 0.000210308 -0.00891127 -0.000535998 66
19789 159 H 20.2379 33.9248 59.116 0.012436 -0.00967362 0.0149134 66
19790 160 H 21.9543 34.1902 58.8351 -0.00402625 -0.00637899 0.0150767 66
19791 161 H 21.6301 36.4593 58.154 0.00783124 -0.00988377 0.00562568 66
19792 162 H 19.8817 36.4744 58.6149 0.00124198 0.013819 -0.0188345 66
19793 163 H 20.163 36.407 56.3021 0.00894913 0.0033608 0.00524725 66
19794 164 H 19.2883 34.9273 56.8679 0.000735009 -0.00462243 -0.0109221 66
19795 165 H 21.3147 33.6091 56.6275 -0.0046104 0.00163844 -0.00102633 66
19796 166 H 22.2932 35.0257 56.2431 0.0062445 0.00104126 -0.00351004 66
19797 167 H 19.8471 34.1904 54.5467 0.00217496 0.00285028 -0.00355654 66
19798 168 H 21.4853 33.6309 54.2007 0.00919249 0.00945041 -0.00998389 66
19799 169 H 22.0588 36.2581 54.1723 -0.000311632 -0.00988821 0.00853317 66
19800 170 H 20.2735 36.4316 53.9882 0.00734851 0.00173643 0.0161019 66
19801 171 H 21.9882 34.79 52.1207 -0.000644382 0.00334016 0.000657466 66
19802 172 H 21.6896 36.5236 51.846 0.0109078 0.000536566 0.000697723 66
19803 173 H 19.2924 36.2308 51.8142 0.0107191 0.0108908 0.001443 66
19804 174 H 19.4172 34.5198 52.2645 0.0173685 -0.00943188 -0.000301358 66
19805 175 H 18.8719 34.8502 49.8032 0.00235369 -0.0149198 -0.00424511 66
19806 176 H 20.485 34.0916 49.9047 0.00422048 0.000528 0.0110782 66
19807 177 H 20.2967 35.8512 49.5831 0.00663435 -0.00221296 0.00720272 66
19808 178 H 16.969 33.6453 63.1581 0.00525911 -0.0052251 0.0123969 66
19809 179 H 18.2254 34.9204 62.6175 0.00816568 -0.00237278 0.00340366 66
19810 180 H 18.8985 32.7958 61.0442 0.00147142 0.00362552 0.00795653 66
19811 181 H 17.2354 32.3609 61.2104 0.000654876 -0.00411403 0.0028513 66
19812 182 H 16.5882 34.6785 60.3848 -0.0052252 -0.01177 0.00280692 66
19813 183 H 18.3565 35.0337 60.3183 -0.00414379 0.00254479 0.00855665 66
19814 184 H 17.1297 34.5515 58.0816 -0.00198797 0.015407 0.0186102 66
19815 185 H 18.4355 33.3529 58.4121 0.000111762 -0.0058748 -0.000475625 66
19816 186 H 17.121 31.6532 58.6675 0.00752461 0.000740607 0.00350926 66
19817 187 H 15.7087 32.5526 59.2413 -0.00451743 -0.00225944 -0.0115356 66
19818 188 H 15.459 31.5666 57.055 0.000324777 -8.2958e-05 -0.0035701 66
19819 189 H 15.2677 33.3697 57.0034 -0.00941293 -0.00626188 0.00489273 66
19820 190 H 17.6274 33.428 55.8998 0.00325274 -0.000911682 -0.0105638 66
19821 191 H 17.6096 31.6472 56.0837 -0.00961798 -0.00143447 -0.00593288 66
19822 192 H 15.4872 31.621 54.5303 -0.00434985 0.00463725 0.00711052 66
19823 193 H 15.4846 33.349 54.5453 0.00714296 0.00187793 -0.00450088 66
19824 194 H 17.5828 33.4827 53.3065 -0.00955038 0.00795198 -0.0106776 66
19825 195 H 17.759 31.7428 53.2093 -0.00557388 -0.00715962 0.010197 66
19826 196 H 15.3631 31.7306 52.0474 0.00362511 0.00144353 0.00480268 66
19827 197 H 15.4619 33.4732 52.0428 -0.00861717 -0.00750206 0.00626115 66
19828 198 H 17.5322 33.4005 50.6443 0.00412246 -0.00533354 0.00168293 66
19829 199 H 17.4092 31.6769 50.5252 0.00856434 0.00596529 0.00869396 66
19830 200 H 16.2433 32.7642 48.4972 -0.00349322 0.0103789 -0.00467813 66
19831 201 H 15.1216 31.812 49.507 0.000735972 -0.0023098 -0.00628015 66
19832 202 H 15.2341 33.6239 49.6753 0.00147559 -0.00300961 0.00616858 66
19833 203 H 20.4992 39.3506 62.8436 0.00221367 -0.00360794 0.000788966 66
19834 204 H 20.8152 37.5945 62.8954 -0.00490459 -0.000848102 0.000904695 66
19835 205 H 20.902 37.6873 60.6629 0.0121686 0.00373496 0.0153129 66
19836 206 H 19.1827 37.7302 60.6126 -0.00767233 0.00682221 0.00458068 66
19837 207 H 19.1206 40.064 60.0971 0.0018762 -0.00607995 -0.0114281 66
19838 208 H 20.6303 40.3638 60.8529 -0.00798789 0.00375201 -0.0010049 66
19839 209 H 21.5082 40.4796 58.7766 0.00243303 0.00341364 -0.00752871 66
19840 210 H 21.5987 38.7335 58.9244 0.000817005 0.00955817 -0.0178254 66
19841 211 H 19.2771 38.8206 57.7637 0.00137085 0.000830119 -0.00855686 66
19842 212 H 19.7314 40.5298 57.3349 0.0123285 0.00687079 -0.00678847 66
19843 213 H 21.7568 39.961 56.2957 0.01075 -0.00388122 0.00155837 66
19844 214 H 21.6769 38.2486 56.6952 0.00143259 -0.00567913 -0.01765 66
19845 215 H 21.1819 38.2453 54.4632 0.00026249 -0.0118531 0.0112428 66
19846 216 H 19.5855 38.0829 55.2107 -0.00532768 0.00721041 -0.00165394 66
19847 217 H 18.9711 40.4114 54.7581 -0.00956533 -0.0046194 -0.00420016 66
19848 218 H 20.648 40.7151 54.2799 0.000913101 -0.00422586 0.0253412 66
19849 219 H 18.8776 38.6117 52.9096 -0.00291004 0.00228318 -0.000434521 66
19850 220 H 18.6495 40.2461 52.4966 0.00120816 -0.00313286 -0.00101774 66
19851 221 H 21.1648 40.4594 51.7963 0.0127649 -0.00738114 0.0180619 66
19852 222 H 21.3228 38.7942 52.2818 -0.00296874 -0.00595479 -0.00141702 66
19853 223 H 19.6657 38.2058 50.4942 -0.0106883 0.00575782 0.00600693 66
19854 224 H 19.6718 39.8822 49.991 0.0156509 0.00108888 -0.00510048 66
19855 225 H 21.2759 38.6755 48.4999 -0.029181 -0.00541363 0.00651008 66
19856 226 H 22.334 39.4326 49.655 -0.00295945 0.00757102 0.00212416 66
19857 227 H 21.9003 37.7103 49.8576 -0.0121754 -0.00266593 0.00809319 66
19858 228 H 18.058 40.6606 82.0194 -0.00299217 -0.00143861 0.0109783 66
19859 229 H 17.2707 39.1258 81.6328 0.00620774 0.00379401 -0.0111854 66
19860 230 H 18.4449 37.9637 83.5159 -0.0054375 -0.00435131 -0.00071603 66
19861 231 H 19.1931 39.4844 83.9139 0.00366222 -0.00996561 -0.00238055 66
19862 232 H 16.9577 40.5214 84.183 -0.0019528 -0.000886828 0.0146432 66
19863 233 H 16.0751 38.9831 83.9653 -0.00173343 -0.00383857 0.000804091 66
19864 234 H 16.966 38.1096 86.0572 -5.82222e-05 0.000809625 -0.0015333 66
19865 235 H 18.346 39.2281 86.0472 0.000136159 0.00946263 -0.0153417 66
19866 236 H 17.1482 41.0694 86.7426 0.00228053 -0.00117849 0.00554354 66
19867 237 H 15.5901 40.2354 86.6352 -0.00209211 -0.00783586 0.000198932 66
19868 238 H 16.4558 38.6327 88.3746 0.00243296 0.00384383 0.00816288 66
19869 239 H 18.0423 39.4562 88.2722 -0.00211727 -0.0147448 0.00862364 66
19870 240 H 16.9008 41.5356 89.2052 0.00149602 0.00175229 0.00437541 66
19871 241 H 15.3901 40.7385 89.1358 0.00289023 -0.00301064 -0.00498503 66
19872 242 H 16.0081 40.632 91.4651 -0.00852832 -0.0131972 0.00764177 66
19873 243 H 16.4478 38.9989 90.906 -0.0150372 0.00549562 0.0170589 66
19874 244 H 18.7924 39.7898 90.5928 -0.00506128 0.0116547 -0.0124928 66
19875 245 H 18.4059 41.4048 91.1948 0.00681006 0.00230078 0.011366 66
19876 246 H 18.0299 38.6666 92.5443 -0.00908712 -0.00153497 8.5339e-05 66
19877 247 H 19.3916 39.7011 92.8866 0.00201865 0.00224012 -0.00812882 66
19878 248 H 17.9252 41.4517 93.7509 0.000361241 -0.00471364 0.011032 66
19879 249 H 16.4987 40.4395 93.4962 -0.0023903 -0.000365523 0.0114845 66
19880 250 H 18.6972 39.5025 95.3048 -0.00284354 -0.00383144 -0.00688819 66
19881 251 H 17.1194 40.3072 95.8554 0.00537641 -0.0166815 0.012177 66
19882 252 H 17.1234 38.7517 94.9653 0.00458256 -0.00415893 -0.000756402 66
19883 253 H 24.4463 43.2992 81.5286 0.00530714 0.000846265 0.00976797 66
19884 254 H 22.6653 43.3635 81.8003 -0.00520448 -3.48228e-05 0.00179337 66
19885 255 H 22.9246 41.7178 83.6998 -0.00908471 0.0175552 0.0011133 66
19886 256 H 24.6729 41.702 83.4026 -0.00394598 -0.0094939 0.000460627 66
19887 257 H 24.7862 44.1401 83.9062 0.00548913 0.00203112 0.00610008 66
19888 258 H 23.0332 44.0252 84.3624 -0.000252062 -0.0022978 -0.0106349 66
19889 259 H 23.739 42.1552 85.9984 -0.00741978 0.00356482 -0.00239581 66
19890 260 H 25.3747 42.4868 85.7459 -0.000190375 0.0045038 0.0020457 66
19891 261 H 24.7964 44.971 86.6101 -0.00233973 0.00960913 0.00446369 66
19892 262 H 23.2239 44.2419 86.9879 -0.00423124 -0.00792596 -0.00825355 66
19893 263 H 24.498 42.5053 88.3506 0.00410824 0.000167636 0.0174364 66
19894 264 H 25.9899 43.3979 88.0542 0.000593798 -0.000286581 0.00329411 66
19895 265 H 24.8338 45.4014 89.2159 0.0122015 -0.00428141 0.0123181 66
19896 266 H 23.4777 44.3185 89.513 -0.00171316 -0.00529407 -0.0116333 66
19897 267 H 24.9646 42.6747 90.6992 -0.0144502 0.00322765 0.000759734 66
19898 268 H 26.2798 43.8205 90.5012 -0.00160785 -0.00712208 0.00629694 66
19899 269 H 24.9917 45.5469 91.8951 0.0157644 -0.00389617 -0.00441599 66
19900 270 H 23.6224 44.4293 91.9787 -0.00246061 -0.00307838 -0.0140305 66
19901 271 H 25.0498 42.7752 93.1394 0.00951089 -0.00207837 0.00581391 66
19902 272 H 26.3739 43.9062 93.1922 0.00337813 0.0014287 0.0158202 66
19903 273 H 24.9431 45.4921 94.5839 0.00276441 -0.00380883 0.00846671 66
19904 274 H 23.6337 44.418 94.4276 0.000854072 -2.30902e-05 0.00626697 66
19905 275 H 24.6394 44.2982 96.6385 0.0140652 -0.00164618 0.0101426 66
19906 276 H 24.9553 42.6937 95.9098 0.00118478 0.000594748 0.00534639 66
19907 277 H 26.2439 43.8467 95.9101 -0.000104581 0.00773486 -0.00660134 66
19908 278 H 23.5587 34.7216 82.1329 0.0134686 -0.00927939 0.00792694 66
19909 279 H 25.1543 35.5683 82.0587 0.00428554 0.0281331 0.00495313 66
19910 280 H 23.1599 35.4781 84.3808 8.2611e-05 -0.00650204 -0.00216406 66
19911 281 H 24.7278 36.3631 84.3921 -0.0110272 0.00247234 0.00613421 66
19912 282 H 25.973 34.2384 84.1841 0.000867587 -0.00482243 0.0132545 66
19913 283 H 24.5926 33.3493 83.8111 -0.000148638 -0.000846855 0.00732811 66
19914 284 H 25.7368 33.182 86.1113 -0.00159145 -0.00137 0.00090835 66
19915 285 H 24.052 32.92 86.0202 0.00317924 0.000667162 -0.00135551 66
19916 286 H 23.5205 35.0023 87.0672 -0.00102174 0.0023645 -0.0191985 66
19917 287 H 25.0862 35.7274 86.8051 -0.00608409 0.00340638 0.0137055 66
19918 288 H 26.1159 33.9497 88.3115 9.72212e-05 -0.00526553 -0.00654233 66
19919 289 H 24.5384 33.1676 88.4502 -0.00261583 -0.00135621 -0.0135857 66
19920 290 H 23.6542 35.0578 89.7305 0.000188836 -0.0163748 -0.0013042 66
19921 291 H 25.117 36.0077 89.5217 0.00376682 0.00267929 -0.00437403 66
19922 292 H 26.3847 34.3015 90.8004 -0.00354505 0.00904805 0.00782661 66
19923 293 H 25.0088 33.1955 90.8597 0.00471189 -6.48493e-05 -0.0102179 66
19924 294 H 23.6424 34.8886 92.0942 0.00125707 0.0215713 -0.00798428 66
19925 295 H 25.1091 35.9109 92.3185 0.0130124 -0.00795702 0.0147678 66
19926 296 H 26.2217 34.1383 93.5489 0.00316308 0.00153087 0.00851251 66
19927 297 H 24.9732 33.0343 93.1535 -0.00969206 0.00658472 -0.0185321 66
19928 298 H 24.442 33.6568 95.412 -0.00210447 -0.0145541 -0.0120958 66
19929 299 H 23.2715 34.5172 94.369 -0.0041695 -0.00627535 0.0054947 66
19930 300 H 24.0264 36.1449 96.043 -0.0143133 -0.0100202 -0.00133771 66
19931 301 H 24.8653 36.5911 94.5819 -0.00170291 0.00812229 0.0110359 66
19932 302 H 25.7495 35.6619 95.8342 0.00802031 0.0213013 -0.0150849 66
19933 1 C 27.8227 35.7003 80.2537 -0.00165788 -0.00426874 0.000528328 67
19934 2 C 27.739 35.6092 78.8687 -0.00580658 -0.000781128 0.00169021 67
19935 3 C 27.2511 34.4661 78.27 -0.0025373 0.000600222 0.00251006 67
19936 4 C 26.7082 33.4587 79.1031 -0.00039217 -0.000466993 -0.00111762 67
19937 5 C 26.6621 33.5658 80.5121 -0.00142042 -0.000641419 0.00132161 67
19938 6 C 27.3554 34.6754 81.1387 -0.00137431 0.00027203 -0.000474362 67
19939 7 C 22.0814 32.2082 80.2465 -0.000304344 0.000553685 -0.00398322 67
19940 8 C 22.2007 32.0607 78.8642 0.000949437 -0.00288755 0.00220603 67
19941 9 C 23.4394 32.0533 78.2626 -0.00280682 -0.00237586 -0.00369059 67
19942 10 C 24.571 32.2026 79.0743 -0.00135797 -0.00166437 -0.00306575 67
19943 11 C 24.4823 32.2926 80.4855 -0.000725427 0.000528343 -0.00330106 67
19944 12 C 23.1901 32.32 81.0815 -3.19195e-05 0.00134845 0.00264065 67
19945 13 C 27.7733 29.0378 80.7159 0.0054545 -0.00215069 -0.000175417 67
19946 14 C 27.8155 28.9757 79.3492 5.52067e-05 0.0017947 0.00114993 67
19947 15 C 27.3012 30.0074 78.6062 0.00147179 0.00313942 -0.00446191 67
19948 16 C 26.6774 31.0833 79.2643 0.00481591 -0.000494119 0.000399456 67
19949 17 C 25.9808 32.2054 78.5344 -0.000980765 -0.000940764 0.00246253 67
19950 18 O 27.2427 30.1188 82.8162 0.00129842 0.00194502 0.00168039 67
19951 19 O 22.9655 32.3826 82.4427 -0.00155379 0.0023027 -0.00234075 67
19952 20 O 27.4369 34.9659 82.5089 -0.00267784 0.00275792 0.00321051 67
19953 21 C 27.1961 30.1183 81.434 -0.0020422 -0.00317292 0.00244887 67
19954 22 C 26.003 32.0313 77.0966 -0.000752124 0.00103231 -0.00173143 67
19955 23 C 25.9186 31.7 75.9268 0.00166863 0.000782464 0.00294191 67
19956 24 C 25.5626 31.1975 74.6333 -6.70141e-05 -0.00142288 0.001725 67
19957 25 C 24.6282 31.9573 73.9008 0.00083092 0.000133113 -0.000228426 67
19958 26 C 24.1994 31.4312 72.6374 0.00129867 0.000287899 -0.000267576 67
19959 27 C 24.6371 30.1312 72.2368 0.00774473 -0.00203277 -0.00228551 67
19960 28 C 25.5359 29.4193 73.0399 0.00459553 0.00216031 -0.00150347 67
19961 29 C 25.9487 29.9033 74.2876 -0.00159443 -0.0032841 -0.00193663 67
19962 30 C 24.361 29.7229 70.8877 0.00235145 -0.000210384 -0.000638649 67
19963 31 C 24.234 29.4608 69.7152 0.00341332 -0.00160069 0.00371639 67
19964 32 C 22.2685 25.899 67.7785 0.000657675 -0.00150419 -0.00115199 67
19965 33 C 22.2933 25.8283 66.3917 -0.00115264 -0.00126831 0.00111521 67
19966 34 C 22.9154 26.829 65.6251 0.000349876 0.000490131 0.0026132 67
19967 35 C 23.5267 27.8791 66.3103 0.00111221 2.13819e-05 0.00184136 67
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20520 286 H 32.3272 36.1233 87.5684 0.0114066 0.00291731 0.00882201 68
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20522 288 H 34.3418 34.4609 88.9498 -0.00215091 -0.0106996 0.00825803 68
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20525 291 H 32.7843 36.1951 90.0912 0.0154714 -0.00800005 -0.0164175 68
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20538 2 C 35.7076 35.4325 78.4032 0.00189305 0.000174167 -0.00190847 69
20539 3 C 34.9773 34.3542 77.8891 0.00234297 0.00203196 0.00204455 69
20540 4 C 34.4107 33.3981 78.7445 -0.00655159 0.000301254 0.00238017 69
20541 5 C 34.4876 33.537 80.1698 -0.000720473 0.000383762 -0.000906625 69
20542 6 C 35.1038 34.6929 80.7058 -0.000351614 -0.000710571 0.00151939 69
20543 7 C 29.9473 32.2776 80.438 -0.00154364 -0.00112201 0.00212069 69
20544 8 C 29.9045 32.2304 79.0322 0.00355313 -0.00630171 0.00493305 69
20545 9 C 31.0471 32.2282 78.3259 -0.00287293 0.000704367 0.00164029 69
20546 10 C 32.2961 32.2425 78.9739 0.00249981 -0.00175503 -0.00679349 69
20547 11 C 32.3517 32.3246 80.4053 -0.000553445 0.00259698 0.00155601 69
20548 12 C 31.1215 32.313 81.1541 -0.00115152 0.00179403 0.000802758 69
20549 13 C 35.5376 28.8856 80.2718 -0.00217755 -0.000864279 0.000105045 69
20550 14 C 35.5062 28.8563 78.8819 -0.00044078 0.00213449 -0.00450583 69
20551 15 C 34.8963 29.8954 78.204 0.00178471 0.00344555 -0.00532019 69
20552 16 C 34.3353 30.9735 78.9482 -0.00363082 0.000239481 0.00167872 69
20553 17 C 33.6678 32.1653 78.2907 0.00286256 -0.00358198 -0.000950117 69
20554 18 O 35.2368 29.8909 82.4515 0.00038551 0.000315039 -0.00342306 69
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20556 20 O 35.2036 34.9232 82.0673 -0.0027042 -0.00156111 0.000874691 69
20557 21 C 35.0718 29.9533 81.0434 -0.00256551 0.0024035 0.00170084 69
20558 22 C 33.4702 31.9743 76.8289 0.000464437 0.00424847 -0.00490135 69
20559 23 C 33.2935 31.6578 75.6716 -0.000982752 0.000790632 -0.00160934 69
20560 24 C 33.0199 31.1587 74.3398 0.000185261 -0.000533269 0.00304586 69
20561 25 C 33.0241 29.7942 74.0165 0.00060766 -0.000481885 0.000644441 69
20562 26 C 32.7099 29.3274 72.7152 -0.00508954 -0.000462563 0.000722999 69
20563 27 C 32.3448 30.2646 71.7395 0.000217161 0.00498649 -0.00388199 69
20564 28 C 32.3257 31.6263 72.067 -0.00501892 -0.00219247 0.00481008 69
20565 29 C 32.6495 32.1 73.3674 -0.00322502 -0.00373024 0.000319687 69
20566 30 C 32.1432 29.8941 70.3464 -0.000864829 -0.00340687 0.000589871 69
20567 31 C 32.0021 29.6402 69.1588 -0.00149735 -0.00350802 -0.00194384 69
20568 32 C 30.1755 26.0261 67.186 -0.00466254 0.000782749 -0.00117436 69
20569 33 C 30.1862 25.9949 65.788 0.00232309 0.00378849 -0.0027171 69
20570 34 C 30.7427 27.0261 65.0531 0.00208891 0.000461297 -0.000936097 69
20571 35 C 31.344 28.0929 65.7357 0.00362241 0.000340355 0.00215521 69
20572 36 C 31.3573 28.1564 67.1446 0.000442731 0.00145139 -0.0039029 69
20573 37 C 30.8014 27.0903 67.8683 -0.00156573 -0.00069892 -0.000391021 69
20574 38 C 31.984 29.471 67.7115 0.00144287 0.000656625 0.000644914 69
20575 39 C 35.8042 29.2743 67.1557 4.17905e-05 0.0020998 0.00226722 69
20576 40 C 35.7933 29.2473 65.7493 0.00224672 0.00168477 0.00304839 69
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20578 42 C 33.4175 29.3353 65.6841 0.000321781 0.00238797 0.00203965 69
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20580 44 C 34.6159 29.4258 67.8445 -0.00272903 -0.00454464 0.000993687 69
20581 45 C 29.8744 32.5704 66.6313 0.00862399 -0.00192039 -0.00234615 69
20582 46 C 29.924 32.4426 65.2194 -0.0017216 -0.00290785 -4.65018e-05 69
20583 47 C 30.6882 31.4056 64.6684 0.00200018 -0.00577348 -0.000459068 69
20584 48 C 31.3142 30.4888 65.5237 -0.000724816 -0.00133607 -0.00221695 69
20585 49 C 32.0399 29.2469 65.0131 -0.00203886 0.0032914 -0.000167318 69
20586 50 C 31.2274 30.5937 66.944 -0.00251915 0.000475919 -0.000367205 69
20587 51 C 30.4927 31.6413 67.4806 0.00200057 0.0024346 -9.88244e-05 69
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20591 55 C 33.8127 32.3624 80.9481 -0.00458037 1.63299e-05 -0.00460437 69
20592 56 C 34.4553 31.0616 80.3625 0.00404083 0.00013961 0.0021166 69
20593 57 C 34.6234 30.5289 63.1182 0.00304953 -0.00222416 -0.00284048 69
20594 58 C 34.6672 30.4994 61.5974 0.00652118 1.54282e-05 -0.00138576 69
20595 59 C 33.2716 30.1256 61.021 -0.00038755 -9.79565e-05 0.00141141 69
20596 60 C 33.1381 30.5266 59.5128 -0.000336682 -0.00437394 0.00195846 69
20597 61 C 33.0637 29.3421 58.5668 -0.00140896 -0.00133698 0.00373521 69
20598 62 C 32.8812 29.7976 57.1233 0.00126158 -0.0013502 -1.07106e-05 69
20599 63 C 32.7527 28.6864 56.1084 0.0040104 -0.00507782 -0.00256183 69
20600 64 C 32.7341 29.2658 54.7086 0.000832076 -0.000153906 0.00431878 69
20601 65 C 32.6114 28.18 53.6499 -0.00271791 -0.00120166 0.00421716 69
20602 66 C 32.4905 28.7922 52.2261 0.00159448 -0.00542906 0.000619952 69
20603 67 C 32.4588 27.6863 51.1424 -0.000572176 -0.00115992 0.00222004 69
20604 68 C 32.357 28.3523 49.7942 -0.00702851 0.00139626 -0.000664826 69
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20607 71 C 31.7923 26.1738 61.6005 -0.00522597 0.00507853 0.00244079 69
20608 72 C 32.0119 24.9156 60.7011 -0.00303611 0.00185555 -0.000933081 69
20609 73 C 32.5347 25.1849 59.2617 -0.00114233 -0.00496763 -0.000472676 69
20610 74 C 32.2417 24.0522 58.2222 -0.00486008 0.00388534 0.00127003 69
20611 75 C 32.9443 24.4676 56.8901 0.000307393 -0.000773454 -0.002593 69
20612 76 C 32.4274 23.6942 55.64 -0.00106682 0.00829144 -0.00370147 69
20613 77 C 33.0245 24.277 54.3498 -0.00250045 -0.00222565 0.000942839 69
20614 78 C 32.5355 23.5469 53.1066 -0.00221864 -0.000489573 0.003246 69
20615 79 C 33.133 24.0303 51.7403 -0.00610025 0.000261713 0.00381565 69
20616 80 C 32.5714 23.2738 50.5403 -0.00116066 0.000134075 0.00102505 69
20617 81 C 32.9073 23.9278 49.1546 0.000308402 -0.00511429 -0.000732902 69
20618 82 C 29.6768 30.1638 62.814 0.00389286 -0.00169595 0.00362398 69
20619 83 C 29.741 30.111 61.2829 -0.0024478 0.00327539 -0.00377791 69
20620 84 C 29.7707 31.5028 60.6791 -0.00114568 0.0013249 -0.00036902 69
20621 85 C 29.2127 31.5911 59.2222 0.000461213 -0.00542735 -0.00400451 69
20622 86 C 29.322 30.4183 58.2681 0.00198317 0.00434115 -4.30253e-05 69
20623 87 C 28.9673 30.9419 56.854 -0.00346495 0.00188464 -0.00491485 69
20624 88 C 28.8298 29.8031 55.8626 -0.000479134 -0.000306233 0.000689864 69
20625 89 C 28.2633 30.2231 54.4697 0.000291246 -0.000593367 0.00164982 69
20626 90 C 29.2418 30.9473 53.5109 0.00141648 0.00134136 0.00132583 69
20627 91 C 28.6613 31.0731 52.0891 -0.00434803 0.00180258 0.00265812 69
20628 92 C 28.5937 29.8022 51.2389 -0.0029934 0.00345476 -0.00249233 69
20629 93 C 28.0631 30.081 49.817 -0.00294411 -0.00278377 0.00581086 69
20630 94 C 29.7587 32.398 83.2458 -0.00315805 0.00236589 -0.000646905 69
20631 95 C 29.8056 32.9286 84.7173 -0.00176721 0.0041472 -0.000220124 69
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20634 98 C 28.9338 32.9876 88.0042 -0.00232676 -0.000800363 0.00060099 69
20635 99 C 28.6735 32.2146 89.3439 -0.00200261 -0.00386819 0.000143052 69
20636 100 C 29.1241 32.9932 90.5634 -0.000396774 -0.000788941 -0.00172 69
20637 101 C 28.6131 32.2185 91.8029 -0.00112725 -0.000201119 0.00277944 69
20638 102 C 28.971 32.8299 93.1893 0.00278469 0.0028128 -0.00435036 69
20639 103 C 28.2747 32.0513 94.3399 -0.000147032 0.00165016 -0.000957284 69
20640 104 C 28.7331 32.4831 95.7845 0.000770403 -0.000249606 0.00576835 69
20641 105 C 27.8798 31.5878 96.7226 -0.00368895 0.000975274 -0.00254266 69
20642 106 C 35.6158 36.2382 82.5512 -0.000602405 0.003455 0.000746556 69
20643 107 C 35.8837 36.296 84.0551 0.000551268 0.000405428 -0.0047457 69
20644 108 C 36.6092 37.5783 84.5368 0.00228982 0.00296799 0.00168958 69
20645 109 C 36.4405 37.8421 86.0512 0.00144437 0.00279894 -0.00260367 69
20646 110 C 37.243 36.8614 86.9384 -0.000355212 -0.00302037 -0.000964994 69
20647 111 C 37.4129 37.3311 88.3959 -0.00216867 -0.00459924 0.00155965 69
20648 112 C 36.3873 36.8612 89.4509 0.0034344 -0.000347038 0.00499559 69
20649 113 C 36.873 37.2072 90.902 0.00288375 -0.00199873 -0.00185899 69
20650 114 C 35.9925 36.5164 91.9519 -0.00343251 -0.00250643 0.00239855 69
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20842 4 C 38.4314 40.1289 78.4045 -0.00410524 0.0011488 0.00444901 70
20843 5 C 38.4333 40.2264 79.8266 -0.000403021 -0.00105264 0.00124121 70
20844 6 C 39.0323 41.3554 80.4405 0.00116897 -0.00364304 0.00116325 70
20845 7 C 33.9348 38.9849 79.6206 0.000219037 -0.00187922 0.00364419 70
20846 8 C 33.99 38.8521 78.2556 0.00269278 0.000146329 -0.000439917 70
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20850 12 C 35.0698 39.0675 80.4533 -0.00150421 0.00501394 -0.000215114 70
20851 13 C 39.9668 35.8491 79.9112 0.0017336 0.000471415 -0.00162121 70
20852 14 C 40.0996 35.897 78.5411 0.00164077 0.000739574 0.00133202 70
20853 15 C 39.3639 36.8155 77.8295 -0.00103641 0.00614455 0.000597051 70
20854 16 C 38.5645 37.7601 78.5213 0.000525264 -0.00214254 -0.00174111 70
20855 17 C 37.7768 38.86 77.8433 0.00208772 -0.00445916 -0.000516284 70
20856 18 O 39.0647 36.68 82.0006 0.00567922 0.000125621 -0.00135769 70
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20859 21 C 39.1604 36.7529 80.6363 -0.00266139 0.000231367 0.00149197 70
20860 22 C 37.7783 38.7555 76.3891 -0.00261234 -0.00279907 -0.000398632 70
20861 23 C 37.6319 38.5545 75.2 -0.00336889 0.00267101 -0.00150771 70
20862 24 C 37.3058 38.2488 73.8629 0.00390251 -0.000659492 -0.000185822 70
20863 25 C 36.2947 38.9476 73.1749 0.000207944 -0.00216707 -0.0033447 70
20864 26 C 35.8384 38.476 71.9082 0.000862854 -0.00103722 -0.00223594 70
20865 27 C 36.5038 37.389 71.3124 0.00211806 -0.001095 0.000317278 70
20866 28 C 37.4622 36.6609 72.0216 0.0013233 0.00219226 -7.00002e-05 70
20867 29 C 37.908 37.1325 73.2912 -0.000664936 -0.00296022 0.000625708 70
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20869 31 C 35.9982 36.6001 68.8242 -0.0016114 0.00106349 -0.00371564 70
20870 32 C 33.895 32.9248 67.2355 0.000233303 0.00189973 -0.0023503 70
20871 33 C 33.8318 32.8064 65.8269 0.00438373 -0.00292935 0.00129003 70
20872 34 C 34.4411 33.7505 64.9965 0.0018439 -0.000691616 0.00250721 70
20873 35 C 35.0432 34.8919 65.5583 0.00516631 0.00313844 0.00338335 70
20874 36 C 35.1112 35.0179 66.9351 4.61114e-05 0.000488046 -0.00392444 70
20875 37 C 34.5819 34.0354 67.8138 0.00387532 -0.00126547 -0.00104367 70
20876 38 C 35.8647 36.302 67.3999 -1.72302e-05 -0.00171405 0.00252975 70
20877 39 C 39.6768 35.9337 66.5891 0.00168307 0.00169963 0.00372684 70
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21550 108 C 47.0217 42.7374 84.7428 0.000788863 -0.000690789 0.00455487 72
21551 109 C 48.0802 43.0591 85.8647 0.00127497 -0.00124198 0.00576549 72
21552 110 C 47.4443 43.3755 87.2401 8.55264e-05 0.00172098 -0.000360071 72
21553 111 C 48.3742 43.0605 88.4248 0.00640291 -0.000843 0.00281987 72
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21555 113 C 48.4233 42.8812 90.9804 0.000425576 -0.00261567 0.00069699 72
21556 114 C 48.1981 43.5859 92.3747 0.00276186 0.00514207 0.00304148 72
21557 115 C 48.2019 42.6019 93.5551 0.000213105 0.00239354 0.00148718 72
21558 116 C 47.898 43.2575 94.9545 -0.000605276 0.00190156 0.000416022 72
21559 117 C 49.0021 44.208 95.4496 -0.00151815 0.00218616 0.00138305 72
21560 118 C 46.3899 36.2506 83.2024 -0.0030378 -0.00306905 0.00147516 72
21561 119 C 47.5044 35.3393 83.7862 0.000416815 0.00634294 -0.0027514 72
21562 120 C 47.4003 35.0753 85.3247 0.000592032 0.00372814 0.00559284 72
21563 121 C 48.4706 34.1178 85.8514 0.00350497 0.00104475 0.00262274 72
21564 122 C 48.1965 33.509 87.2709 -0.00213734 -0.00258917 0.00183722 72
21565 123 C 48.2799 34.461 88.4737 9.96806e-06 -0.000891378 -0.00477777 72
21566 124 C 48.4904 33.7048 89.7996 0.000133003 0.00161089 0.00054982 72
21567 125 C 48.4547 34.6055 91.0183 0.000168406 0.000130819 -0.000376772 72
21568 126 C 48.7891 33.9196 92.356 -0.00432505 0.00376949 0.000291389 72
21569 127 C 48.7821 34.9855 93.4769 0.00435332 0.00052805 0.002738 72
21570 128 C 49.2112 34.377 94.8686 -0.000280912 -0.00130861 -8.52786e-05 72
21571 129 C 49.1612 35.3564 96.0683 -0.000595844 -0.00290728 -0.00134625 72
21572 130 F 45.5479 35.1582 74.6639 0.00247394 0.00168416 -0.00144371 72
21573 131 H 47.9951 43.2777 79.6283 -0.0031195 0.00859797 -0.00882612 72
21574 132 H 48.2654 42.819 77.2353 0.00561201 -0.0121609 -0.0108185 72
21575 133 H 47.3256 40.7408 76.262 0.00897613 -0.0215481 0.000364368 72
21576 134 H 40.8727 39.2418 79.4363 0.00330092 0.0117915 -8.11872e-06 72
21577 135 H 41.2405 39.0597 77.0686 0.00262978 0.00307787 -0.0100836 72
21578 136 H 43.4992 38.63 76.2027 0.0109918 -0.00136601 0.00168509 72
21579 137 H 48.1057 35.2539 81.2683 -0.0202902 -0.00473204 0.0115899 72
21580 138 H 48.2622 34.7237 78.8125 -0.00120811 0.00452895 -0.0232416 72
21581 139 H 47.3833 36.1794 77.1889 0.000979004 0.00390189 -0.00133241 72
21582 140 H 45.1091 38.492 70.6223 0.00624395 -0.00421524 -0.00474703 72
21583 141 H 45.9119 39.3359 72.8852 0.0109279 0.000202469 -0.00278387 72
21584 142 H 41.3386 31.9581 67.1509 -0.00260038 0.00114311 -0.000561041 72
21585 143 H 41.3775 32.0593 64.6496 -0.00935661 -0.000674677 0.0113157 72
21586 144 H 42.4284 33.7067 68.4797 0.00052999 0.00875296 0.00172628 72
21587 145 H 48.5503 36.357 66.8246 -0.00703948 -0.0126028 0.0222962 72
21588 146 H 48.2811 36.4297 64.2758 -0.002163 -0.00308524 -0.0024089 72
21589 147 H 46.5889 36.1316 68.251 -0.0114367 0.000137305 -0.0016127 72
21590 148 H 41.3754 40.1503 67.7906 0.0126529 0.0100885 -0.00210258 72
21591 149 H 41.1837 40.3172 65.3177 -0.00666081 0.0115969 0.0276614 72
21592 150 H 43.4692 36.3829 63.674 0.0034584 0.00172672 -0.00325706 72
21593 151 H 42.6308 38.2317 68.8305 -0.0126621 0.00732773 -5.82587e-05 72
21594 152 H 45.4078 39.3651 81.3967 -0.0136342 0.0033393 -0.00118746 72
21595 153 H 46.4063 34.8913 61.8232 -0.0033995 -0.00777877 0.00851844 72
21596 154 H 44.832 34.7166 62.7215 -0.006366 0.00798458 0.00309725 72
21597 155 H 45.2932 36.9667 60.7577 0.00185484 0.000270291 0.0032181 72
21598 156 H 43.7378 36.3078 61.3377 -0.00338476 0.000510693 -0.00714609 72
21599 157 H 44.1483 34.2332 59.9863 0.0152692 -0.00777668 0.0061658 72
21600 158 H 45.7301 34.8193 59.5013 0.00918723 0.00694447 0.0101955 72
21601 159 H 44.5755 36.8396 58.3643 -0.0113774 0.00731731 -0.00354351 72
21602 160 H 43.0646 36.0525 58.7222 0.0021279 0.0107591 0.00746435 72
21603 161 H 43.6977 34.0905 57.3579 0.00310914 -0.000680397 0.0267041 72
21604 162 H 45.3222 34.6152 57.248 0.000767394 0.000490843 -0.00351493 72
21605 163 H 44.4291 36.6736 55.8681 -0.0100373 0.00800165 -0.00585382 72
21606 164 H 42.8014 35.9156 55.9705 0.000418609 0.0138675 0.00699281 72
21607 165 H 43.5599 34.0041 54.7637 0.00642778 -0.00657099 -0.00697241 72
21608 166 H 45.2408 34.502 54.8318 -0.00223002 -0.000758623 0.00972357 72
21609 167 H 44.9644 36.259 53.2746 -0.00972281 0.00997605 0.00131876 72
21610 168 H 43.1634 36.0985 53.2798 -0.00546124 -0.00782379 -0.00244467 72
21611 169 H 43.2551 33.9499 52.3408 -0.00505588 0.00623281 0.000932693 72
21612 170 H 45.0387 33.8444 52.5121 -0.00163034 0.0015464 0.00836216 72
21613 171 H 44.18 34.1368 50.1358 -0.00723167 0.00734363 -0.00766811 72
21614 172 H 45.3773 35.3156 50.6408 0.000113048 0.0125227 0.00074701 72
21615 173 H 43.4472 36.9917 51.171 -0.0114702 0.00404758 -0.00436622 72
21616 174 H 42.4202 35.747 50.4967 0.00458141 -0.00853069 -0.00874012 72
21617 175 H 43.5491 35.7696 48.356 0.00825855 0.000927186 -0.00371278 72
21618 176 H 44.6821 36.9858 48.8678 -0.0121426 0.00813563 -0.0138645 72
21619 177 H 42.9358 37.4285 48.7738 0.000689816 0.000584624 -0.0146199 72
21620 178 H 42.2991 32.4597 61.9562 0.00220764 -0.00376123 0.000798292 72
21621 179 H 40.7932 32.924 62.7679 0.0103428 -0.0187619 0.000243589 72
21622 180 H 40.5748 34.9947 61.5291 -0.00261956 -0.00298729 -0.00560443 72
21623 181 H 42.2366 34.8669 60.8756 -0.00173097 0.00234646 -0.000123093 72
21624 182 H 39.7677 33.1615 60.1813 -0.00153037 0.0074836 0.00673155 72
21625 183 H 40.4325 34.4491 59.2437 -0.00869859 -0.00525948 -0.00282959 72
21626 184 H 42.5773 33.1027 58.9419 -0.0036731 0.00849273 -0.00367056 72
21627 185 H 41.714 31.7437 59.6079 -0.00774158 -0.00688439 -0.00689894 72
21628 186 H 41.7062 31.6873 57.1491 -0.012143 -0.0115256 -0.00288234 72
21629 187 H 40.0857 31.7547 57.7472 0.00434685 -0.00268002 -0.0111974 72
21630 188 H 39.6649 33.9346 56.8478 0.00223484 0.00195358 -0.00247591 72
21631 189 H 41.29 34.4365 57.0196 0.00387279 -0.00131289 -0.00758739 72
21632 190 H 41.0455 34.3213 54.6349 -0.00900424 0.00348876 0.00936423 72
21633 191 H 41.9253 32.8906 55.0509 0.00327347 0.00824041 -0.00398013 72
21634 192 H 39.9249 31.4951 55.0454 -0.0248771 0.000543571 0.00369093 72
21635 193 H 38.9357 32.8145 54.6324 -0.00471615 0.000422319 0.00841935 72
21636 194 H 41.2882 31.5194 53.0472 -0.00391349 -0.00482153 -0.00166894 72
21637 195 H 39.6183 31.3477 52.5668 -0.00191404 -0.00311156 -0.000545887 72
21638 196 H 39.433 33.7175 51.9088 -0.000874812 -0.00609781 3.158e-05 72
21639 197 H 41.0919 33.9924 52.4464 -0.0117808 0.0228099 -0.0190487 72
21640 198 H 41.2451 33.8127 50.074 -0.0064986 0.0065167 0.00287122 72
21641 199 H 41.8696 32.2685 50.7116 -0.00249172 0.00327154 0.0171874 72
21642 200 H 40.402 32.0116 48.7185 -0.0111956 0.017009 -0.00899199 72
21643 201 H 39.7109 31.2043 50.1687 -0.0139175 -0.00314477 -0.0158315 72
21644 202 H 39.0306 32.7645 49.6408 0.000425357 0.00128157 -0.0206379 72
21645 203 H 43.4025 40.5512 63.5715 -0.0115416 -0.000511654 0.000695679 72
21646 204 H 44.3636 39.0263 63.3903 0.00210976 0.00309951 -0.0119459 72
21647 205 H 43.6644 38.5225 61.2907 0.00182025 0.0046738 -0.00388959 72
21648 206 H 42.3161 39.7061 61.2807 0.00447944 0.00766936 -0.011574 72
21649 207 H 43.6359 41.5717 60.8304 -0.0103735 -0.00439978 -0.00561539 72
21650 208 H 45.0632 40.9029 61.5497 0.00133636 0.00949029 -0.00854148 72
21651 209 H 45.6324 40.6623 59.3021 0.00209127 -0.00704715 -0.00430397 72
21652 210 H 44.782 39.1287 59.5953 -0.00462964 0.00439992 0.0267564 72
21653 211 H 42.7586 40.0336 58.5318 -0.000305208 0.00205233 0.00411182 72
21654 212 H 43.5646 41.6055 58.2357 0.00256116 6.17513e-05 -0.00694221 72
21655 213 H 45.2697 40.4153 56.8144 0.00242401 -0.00903949 0.00495394 72
21656 214 H 44.419 38.845 57.1163 0.00531915 -0.000345816 0.0177516 72
21657 215 H 42.4831 39.5453 55.8602 -0.00316487 -0.00060759 0.00906963 72
21658 216 H 43.0647 41.1984 55.7408 -0.00597248 -0.00236427 0.0143364 72
21659 217 H 45.1323 40.2806 54.5177 -0.0112704 0.00750245 -0.0143491 72
21660 218 H 44.4743 38.6913 54.5589 0.000383116 -0.000427079 -0.00872678 72
21661 219 H 42.5609 39.3516 53.1692 -0.000242209 -0.00252662 -0.00107719 72
21662 220 H 43.0009 41.0634 53.3277 0.00238158 0.000843306 -0.0149074 72
21663 221 H 45.0675 40.7057 52.0269 -0.00383279 0.00260603 -0.00970099 72
21664 222 H 44.8625 38.9474 52.0552 0.00499298 0.000668754 -0.00347966 72
21665 223 H 42.8931 39.1496 50.6497 -0.0124824 0.00781737 -0.00454832 72
21666 224 H 42.9966 40.9021 50.5863 -0.00133024 -0.00327212 -0.0101134 72
21667 225 H 45.1687 38.937 49.5706 -0.00973529 -0.00260863 0.00827684 72
21668 226 H 44.0599 39.848 48.5398 7.32335e-05 0.0109018 0.00160124 72
21669 227 H 45.2617 40.7328 49.4601 -0.00439004 0.00507234 -0.00641547 72
21670 228 H 40.6133 39.4048 81.3903 -0.0043395 -0.00074903 0.00257927 72
21671 229 H 41.2309 37.7763 81.9009 0.0208434 -0.00215409 -0.0108867 72
21672 230 H 42.168 38.7909 83.9658 -0.00784462 0.00995344 0.0136088 72
21673 231 H 41.6179 40.4082 83.4019 -0.0181465 0.00158046 0.00752142 72
21674 232 H 39.3373 39.729 83.5735 -0.0124318 -0.000624845 0.012854 72
21675 233 H 39.6799 38.0587 84.0092 0.00436574 -0.00655677 -0.00812647 72
21676 234 H 40.2327 40.6122 85.6358 8.40774e-05 -0.00365582 0.0137825 72
21677 235 H 38.8551 39.5119 85.7638 -0.00416971 -0.0141581 -0.0146906 72
21678 236 H 40.5088 37.699 86.596 0.00275927 0.00274906 -0.000260986 72
21679 237 H 41.802 38.922 86.4705 -0.00212683 0.025231 0.0133439 72
21680 238 H 40.9061 40.3268 88.1401 -0.00692953 0.00472614 0.0034372 72
21681 239 H 39.3132 39.5449 88.1016 -0.00196482 0.0042842 0.000563016 72
21682 240 H 40.3991 37.4589 89.3061 -0.0122522 0.00808235 -0.012872 72
21683 241 H 41.8428 38.3866 89.3574 -0.000276817 0.000731506 0.0195835 72
21684 242 H 40.3686 40.2501 90.4861 -0.000977881 0.00178332 -0.00455205 72
21685 243 H 39.0967 39.0383 90.6228 -0.000822078 0.00996102 -0.010818 72
21686 244 H 40.882 37.6451 91.8295 0.00566892 0.000170614 0.0110589 72
21687 245 H 41.7617 39.2252 91.9759 -0.000383675 0.00351381 0.00953925 72
21688 246 H 39.7168 40.1705 93.0651 0.0108992 0.000684106 0.00229222 72
21689 247 H 38.9505 38.5325 93.0332 0.00881271 -0.0149955 -0.00789789 72
21690 248 H 41.021 37.8218 94.411 0.0074669 0.00165891 0.000668724 72
21691 249 H 41.3658 39.536 94.6634 -0.00231321 0.000712684 0.00488224 72
21692 250 H 39.0871 39.8834 95.6464 -0.0131955 -0.00910458 -0.000435343 72
21693 251 H 38.8901 38.1183 95.5805 0.00269927 -0.00568893 0.00156189 72
21694 252 H 40.2085 38.8406 96.5719 -0.00469406 0.00905204 0.000639239 72
21695 253 H 48.542 41.6939 82.7766 -0.00130242 0.00206098 0.000793275 72
21696 254 H 48.5242 43.0053 81.6222 0.00367403 0.0127565 0.00750212 72
21697 255 H 48.0046 44.1987 83.4052 -0.00919618 0.00260299 -0.00318445 72
21698 256 H 46.3736 43.7201 82.8844 -0.00390782 -0.00268652 0.004494 72
21699 257 H 46.0447 43.1409 85.0361 0.00238389 -0.00281777 0.0127728 72
21700 258 H 46.9229 41.646 84.6929 -0.0044192 -0.000419561 0.0088852 72
21701 259 H 48.6236 42.116 86.0013 -0.00486673 -0.00715319 -0.0104499 72
21702 260 H 48.7737 43.8629 85.5885 0.00182536 -0.00340544 0.000852064 72
21703 261 H 47.167 44.4366 87.2144 0.00392519 0.00240945 -0.0140647 72
21704 262 H 46.492 42.8415 87.3462 0.00312494 -0.00601275 -0.0119856 72
21705 263 H 48.4303 41.9737 88.5634 -0.000933643 5.18556e-06 0.0124524 72
21706 264 H 49.3939 43.3576 88.1503 0.0100557 -0.00373504 0.0132945 72
21707 265 H 48.3542 44.6962 89.8525 -0.00292486 0.00426324 -0.0146656 72
21708 266 H 46.8517 43.784 89.8334 -0.000901605 -0.00822827 0.00310449 72
21709 267 H 47.8793 41.9292 90.9463 0.00682028 -0.00601383 -0.00646232 72
21710 268 H 49.5027 42.7239 90.8638 0.000604826 -0.00808514 0.00983925 72
21711 269 H 48.9823 44.3446 92.4881 0.0129512 -0.00377545 -0.00762115 72
21712 270 H 47.2078 44.0578 92.3818 -0.00486687 -0.0107322 -0.00248782 72
21713 271 H 47.4917 41.7989 93.3225 -0.00628663 0.0123265 -0.01298 72
21714 272 H 49.1915 42.1301 93.5936 -0.00262534 -0.00314788 0.00649123 72
21715 273 H 46.9603 43.8256 94.9177 -0.000392805 0.00320027 0.0147307 72
21716 274 H 47.7036 42.5123 95.7357 0.0143182 0.00576882 0.00780988 72
21717 275 H 49.9634 43.6796 95.4438 0.00436171 0.0129944 -0.00682629 72
21718 276 H 49.0625 45.0849 94.7933 -0.00114984 -0.000230369 -0.00181907 72
21719 277 H 48.8804 44.5085 96.4976 -0.00291292 0.00795753 -0.000440283 72
21720 278 H 45.8895 36.7613 84.0344 -0.0129536 -0.000587017 -0.00601942 72
21721 279 H 45.6806 35.6051 82.6697 -0.00156928 -0.0047612 0.00156737 72
21722 280 H 48.477 35.8215 83.6285 0.00353802 0.00282235 0.00564914 72
21723 281 H 47.6251 34.3989 83.2343 0.00200317 0.0090629 -0.0070438 72
21724 282 H 46.4083 34.6393 85.4955 0.00389551 -0.00428469 0.00432987 72
21725 283 H 47.4173 36.0399 85.8468 -0.00125408 0.0133801 -0.0121126 72
21726 284 H 49.4366 34.6367 85.8809 0.00164575 0.00455423 0.00172414 72
21727 285 H 48.6108 33.3052 85.128 0.00252409 0.0147556 -0.0129733 72
21728 286 H 48.9422 32.7183 87.4199 0.00118873 0.00354904 0.0177399 72
21729 287 H 47.1937 33.0731 87.3585 -0.0033616 0.000461759 0.00309066 72
21730 288 H 47.3544 35.0458 88.5425 0.00613969 0.00723659 0.00890149 72
21731 289 H 49.0286 35.2446 88.3035 -0.00798673 0.00694124 -0.00407283 72
21732 290 H 49.4549 33.184 89.7575 0.00505113 0.0108768 -0.00141457 72
21733 291 H 47.7085 32.941 89.8929 -0.00870262 0.0105789 -8.23347e-05 72
21734 292 H 47.4652 35.0714 91.1029 0.00820628 0.0195079 -0.0133154 72
21735 293 H 49.221 35.3691 90.8359 -0.00340812 0.00554304 0.00733233 72
21736 294 H 49.7818 33.4797 92.1997 0.00350249 0.0179478 0.0102087 72
21737 295 H 48.0693 33.1204 92.5718 -0.00390359 0.00115818 -0.00796549 72
21738 296 H 47.757 35.342 93.636 0.00130037 -0.014442 0.0169151 72
21739 297 H 49.4183 35.8427 93.224 -0.00427622 0.00432849 -0.00605738 72
21740 298 H 50.2558 34.0666 94.7431 -0.00708895 -0.0251421 0.00240254 72
21741 299 H 48.6479 33.4587 95.0754 0.00410427 -0.00331173 0.00297669 72
21742 300 H 48.2318 35.9356 96.1315 0.00298013 0.00276225 -0.00049289 72
21743 301 H 49.9343 36.1243 95.9413 0.00243351 -0.00243399 0.0200962 72
21744 302 H 49.3352 34.8422 97.0216 0.0196963 -0.0161938 -0.0122181 72
ITEM: TIMESTEP
101000
ITEM: NUMBER OF ATOMS
21744
ITEM: BOX BOUNDS pp pp pp
0.0000000000000000e+00 4.7073061717199998e+01
0.0000000000000000e+00 4.0766467281007898e+01
0.0000000000000000e+00 9.6958885940000002e+01
ITEM: ATOMS id type element xu yu zu vx vy vz mol
1 1 C 1.89324 6.66437 31.6045 0.00448058 0.00015244 0.00200891 1
2 2 C 2.08929 6.53054 30.2246 -0.00436248 0.000709857 0.00476793 1
3 3 C 1.51308 5.46191 29.5393 -0.00298158 0.00353825 -0.000705077 1
4 4 C 0.87036 4.4636 30.2695 -0.00337276 0.000901329 -0.00153534 1
5 5 C 0.709681 4.54163 31.6798 0.000263461 0.0011039 0.000221496 1
6 6 C 1.17267 5.68397 32.3439 0.00062025 0.000204146 0.0037781 1
7 7 C -3.78396 3.27294 31.1428 -0.000974275 3.44973e-05 0.00169556 1
8 8 C -3.61539 3.18583 29.7706 5.17574e-05 -8.26639e-05 0.0027094 1
9 9 C -2.32077 3.23391 29.2454 -0.00161169 0.000972665 0.0043773 1
10 10 C -1.22109 3.18528 30.0765 0.0039564 -0.00148391 -0.000116875 1
11 11 C -1.38189 3.25755 31.4786 -0.00137377 -0.000146964 -0.00168225 1
12 12 C -2.68596 3.36693 32.0151 0.0049381 -1.83804e-05 -0.00231975 1
13 13 C 1.87051 -0.0916252 31.8832 0.00369922 0.00161536 0.0020984 1
14 14 C 1.95011 -0.136995 30.4883 -0.000707976 -0.00027775 -0.000668981 1
15 15 C 1.39912 0.873412 29.7479 -0.000640476 0.000603785 -0.000406875 1
16 16 C 0.825203 1.99216 30.3807 -0.000387754 0.0001147 -0.00277262 1
17 17 C 0.242195 3.20785 29.6103 0.00045903 -0.00257256 0.000566979 1
18 18 O 1.13874 0.81707 33.971 0.00153165 -0.00105824 -0.00306519 1
19 19 O -2.89754 3.60692 33.3589 0.00176781 -0.00121233 -0.00207768 1
20 20 O 1.00507 5.91316 33.7032 -0.00452606 -0.00245761 -0.00196187 1
21 21 C 1.23195 0.923054 32.5683 0.00301573 0.00287448 -0.00490246 1
22 22 C 0.507228 3.16527 28.1429 -0.000691873 -0.00181377 0.00162164 1
23 23 C 0.964489 3.19034 27.0291 0.00097481 -0.000890118 0.00227022 1
24 24 C 1.65271 3.22063 25.8021 -0.000593024 -0.00120927 -0.00171644 1
25 25 C 1.40807 4.23981 24.881 -0.0033802 0.00111488 -1.31249e-05 1
26 26 C 2.22565 4.37486 23.7361 0.00384442 0.0004092 0.00441411 1
27 27 C 3.33946 3.53449 23.548 0.000174238 -0.00710155 -0.00294838 1
28 28 C 3.64463 2.57318 24.5008 0.00342357 0.00165098 -0.00110742 1
29 29 C 2.76297 2.39317 25.6188 0.000928209 -0.00104855 2.17615e-05 1
30 30 C 4.08637 3.61923 22.37 -9.00011e-05 -0.00493449 0.00214083 1
31 31 C 4.57984 3.64869 21.2669 -0.00136245 -0.000183862 0.00455681 1
32 32 C 3.41751 0.0880663 19.07 0.00012812 -0.00246853 -0.00058174 1
33 33 C 3.59578 0.103058 17.6875 -0.000314523 -0.00355862 0.00376186 1
34 34 C 4.22213 1.17634 17.0243 -0.00104426 -0.00342917 0.00157589 1
35 35 C 4.67339 2.26759 17.7437 -9.94442e-05 -0.000990664 -0.00167785 1
36 36 C 4.50642 2.28844 19.1304 0.00191085 -0.000373807 -0.00512739 1
37 37 C 3.90442 1.19483 19.7924 0.000602037 -0.00231196 0.00465802 1
38 38 C 4.96364 3.63823 19.8242 0.00129164 0.00591529 -0.00159219 1
39 39 C 8.85639 3.9557 19.75 0.000188211 0.00211241 -0.00474448 1
40 40 C 8.99008 3.87139 18.3521 -0.000827788 -0.000964475 -0.00010457 1
41 41 C 7.89497 3.74077 17.4574 -0.00890301 0.00238774 -0.00462941 1
42 42 C 6.6267 3.63511 18.0128 -0.00844344 -0.000893966 -0.00375065 1
43 43 C 6.45338 3.75107 19.4263 0.00446651 0.00264732 -0.00220298 1
44 44 C 7.54164 3.93245 20.2906 0.00306675 -0.00115656 0.000728737 1
45 45 C 3.2326 6.88057 18.6521 5.67909e-06 0.000128889 -0.00095498 1
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1454 246 H 8.76331 2.22403 44.4204 0.000723858 0.0072845 0.0125369 5
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1459 251 H 9.64694 4.41329 47.2244 0.0105364 0.00385088 -0.0111059 5
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1466 258 H 17.7989 9.38009 35.2236 -0.0151567 -0.00101766 0.001549 5
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1512 2 C 21.6032 13.3318 30.1623 0.00368726 0.00177258 0.0010396 6
1513 3 C 21.1353 12.2192 29.5117 0.00308602 -0.00374418 2.76157e-05 6
1514 4 C 20.4821 11.1886 30.1911 -0.0016736 -0.00322697 -0.00235565 6
1515 5 C 20.2802 11.2912 31.5928 -0.000605657 0.0018198 -0.00012185 6
1516 6 C 20.7564 12.4482 32.266 -0.000978996 -0.00172349 0.000982681 6
1517 7 C 15.8275 9.999 30.8443 0.0021358 -0.0022638 0.00404854 6
1518 8 C 16.0764 10.0504 29.4739 0.00541531 -0.00126209 0.000219234 6
1519 9 C 17.3766 10.0303 28.983 0.00385037 -0.00161901 -0.00510526 6
1520 10 C 18.4269 10.0037 29.9138 0.000995342 -0.002549 -0.00186542 6
1521 11 C 18.1969 10.0577 31.3326 -0.00415328 -0.00241796 0.00139008 6
1522 12 C 16.8675 10.1318 31.7918 -0.00392157 0.00169787 0.000335299 6
1523 13 C 21.3664 6.74006 31.837 0.00188962 0.00261804 -0.00296827 6
1524 14 C 21.5558 6.70633 30.4317 -0.00116012 -0.00103967 0.00299996 6
1525 15 C 21.1198 7.75279 29.6578 0.00332523 0.00210017 -0.000420435 6
1526 16 C 20.4268 8.8064 30.2893 -0.00415462 0.00330469 -0.00142371 6
1527 17 C 19.8764 9.99068 29.4978 0.00539607 0.0039171 0.00622793 6
1528 18 O 20.8054 7.88419 33.8903 3.86192e-05 0.00346542 -0.00130936 6
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1530 20 O 20.504 12.644 33.6184 0.0033442 -0.000910062 -0.00247806 6
1531 21 C 20.8185 7.82777 32.5117 0.00567322 -0.00281755 -0.00121576 6
1532 22 C 20.1871 9.91147 28.0733 0.00251322 0.00147997 0.00400897 6
1533 23 C 20.6936 9.88002 26.9869 -0.00299258 0.00166797 -0.00545795 6
1534 24 C 21.5738 9.93303 25.8639 0.000869868 -0.00056736 0.000649343 6
1535 25 C 22.0702 11.178 25.4412 -0.000742422 0.00132401 -0.00311955 6
1536 26 C 23.0839 11.2786 24.4837 -0.00208901 -0.00305135 -0.00107194 6
1537 27 C 23.672 10.085 23.9768 -0.00212082 0.00475276 0.00151489 6
1538 28 C 23.2312 8.83506 24.4283 -0.00139846 0.00466522 -0.0010562 6
1539 29 C 22.2587 8.7486 25.4509 -0.00661421 -0.00241118 0.0016809 6
1540 30 C 24.3719 10.1368 22.758 0.00279881 -0.000461146 -0.00114348 6
1541 31 C 24.7111 10.2193 21.5874 -0.00248264 9.51612e-05 0.00138576 6
1542 32 C 22.5562 7.26769 19.3009 0.00170383 -0.000604121 0.00013572 6
1543 33 C 22.5302 7.38048 17.9067 -0.000437101 -0.00268178 -0.00354847 6
1544 34 C 23.2935 8.36207 17.2794 0.000592554 0.00149579 -0.00240668 6
1545 35 C 24.0122 9.26443 18.0568 0.00116603 0.000179657 -0.00492719 6
1546 36 C 24.0211 9.16897 19.4542 0.0036116 0.00262873 -0.00109541 6
1547 37 C 23.3039 8.1455 20.0975 0.00364796 0.00116877 0.000360306 6
1548 38 C 24.8053 10.2813 20.1404 -0.000195456 -0.00163196 -0.00301287 6
1549 39 C 28.6214 10.0587 19.5008 0.0037671 -0.00223328 0.00435302 6
1550 40 C 28.6023 10.1419 18.0951 -0.000171037 -0.00391305 -0.00526463 6
1551 41 C 27.4087 10.2075 17.3554 0.00572382 0.0017743 0.00188333 6
1552 42 C 26.2022 10.2748 18.096 0.00363697 0.00126547 -0.00449874 6
1553 43 C 26.1912 10.2328 19.5116 -0.00350954 0.00171797 -0.00502508 6
1554 44 C 27.4199 10.0812 20.1929 0.000368443 0.000216135 -0.000325189 6
1555 45 C 22.9991 13.6811 19.6002 0.000274547 0.00281087 0.00442422 6
1556 46 C 23.1506 13.8196 18.2074 0.00247696 -0.00190559 0.00216907 6
1557 47 C 23.7741 12.7942 17.4644 0.0039449 0.00274687 -0.00131132 6
1558 48 C 24.2718 11.6666 18.1474 0.00232057 0.00293541 0.00277484 6
1559 49 C 24.8183 10.4133 17.5017 -6.40501e-05 -0.00337113 0.000196956 6
1560 50 C 24.1353 11.5442 19.5539 -0.00176859 -0.00184148 -0.00584946 6
1561 51 C 23.5104 12.5934 20.3234 -0.000880134 -0.0028491 0.0023534 6
1562 52 O 27.4166 10.4054 15.9887 -0.00142519 -0.00117637 0.00189636 6
1563 53 O 23.2278 8.47241 15.9321 -0.0015522 0.00203924 0.00183567 6
1564 54 O 24.015 12.9659 16.1372 -0.00149295 0.00067536 0.00189196 6
1565 55 C 19.487 10.121 32.1563 -0.00137187 0.00200931 -0.00279153 6
1566 56 C 20.2721 8.88036 31.7215 -0.00235361 -0.00219097 -7.79834e-05 6
1567 57 C 27.7108 9.2966 15.1455 -0.00106628 0.00180695 0.000153038 6
1568 58 C 26.4209 9.01858 14.3182 0.00259677 3.73044e-05 -0.00193924 6
1569 59 C 26.1835 10.0577 13.1965 0.000138705 0.00111731 -0.000242155 6
1570 60 C 26.8053 9.53434 11.8977 -0.00130156 -0.000999807 -0.00380683 6
1571 61 C 26.3571 10.3703 10.6891 -0.00217045 -0.000386271 -0.00326918 6
1572 62 C 26.6325 9.64549 9.33094 0.000627286 0.00171016 0.00339887 6
1573 63 C 26.3612 10.5827 8.13485 -0.000821925 -0.00314665 0.00568731 6
1574 64 C 26.5451 9.92017 6.76238 -9.94189e-05 -0.00360831 0.00143 6
1575 65 C 26.0462 10.7356 5.6089 -0.00216154 -0.000785557 -0.00288365 6
1576 66 C 26.4062 10.2526 4.1867 -0.00223666 -0.000423927 0.00403906 6
1577 67 C 25.6118 11.1431 3.23177 0.00143212 -0.00136242 0.00154363 6
1578 68 C 26.1991 11.0516 1.8215 0.0038771 0.00339682 0.00689478 6
1579 69 F 23.5191 12.4745 24.0295 0.00216586 0.00224997 0.000991905 6
1580 70 C 23.4542 7.33876 15.0625 0.00612033 -0.000837424 0.00179868 6
1581 71 C 23.1399 7.85093 13.6774 0.00269215 0.000511114 0.000493198 6
1582 72 C 23.757 6.98518 12.5818 -0.00232769 0.000380605 -0.00113212 6
1583 73 C 23.6355 7.56101 11.1354 0.00142891 0.00397509 -0.00149599 6
1584 74 C 22.1947 7.9312 10.6909 -0.00454209 0.00212095 0.00532891 6
1585 75 C 21.9555 7.507 9.26281 -0.00359111 -0.00235959 0.000553066 6
1586 76 C 22.6607 8.36344 8.16701 0.000412538 -0.00179215 -0.00132927 6
1587 77 C 22.4973 7.73517 6.79176 -0.000246861 0.00206547 0.000438309 6
1588 78 C 22.9352 8.60532 5.6067 0.00543882 0.00552241 0.001528 6
1589 79 C 22.655 7.82301 4.33615 -0.00130733 -0.000439986 -0.00145442 6
1590 80 C 22.9901 8.64865 3.07461 -0.000729883 -0.00265423 -0.00262918 6
1591 81 C 22.4345 7.93267 1.85933 0.00241905 -0.00267146 0.0017404 6
1592 82 C 25.2775 13.6537 15.8987 0.0018196 -0.000808285 -0.000272945 6
1593 83 C 25.2033 14.5759 14.6558 0.00436215 -0.00149613 0.000175901 6
1594 84 C 25.6368 13.8857 13.3327 0.00103044 -0.000745057 0.00264378 6
1595 85 C 25.4026 14.7606 12.0827 -0.00221268 -0.00401737 -0.00163611 6
1596 86 C 26.3697 14.4324 10.9341 0.000620268 0.000446831 0.00218704 6
1597 87 C 25.9415 15.0775 9.59875 -0.00279626 3.39744e-05 -0.00203372 6
1598 88 C 26.8251 14.604 8.41003 0.00105115 -0.00278506 0.00341111 6
1599 89 C 26.3496 15.1856 7.09038 4.94104e-05 -0.00341002 -0.00132738 6
1600 90 C 27.1554 14.7311 5.84358 0.00145004 0.00299777 0.000243765 6
1601 91 C 26.4454 15.0148 4.50074 0.000248741 -0.00286958 0.00104858 6
1602 92 C 27.2288 14.5319 3.26291 0.0012675 -0.00177702 -0.00202473 6
1603 93 C 26.4357 14.6013 1.91656 -0.00412405 -0.000743098 -0.00148493 6
1604 94 C 15.2709 10.5097 33.6555 -0.00248603 0.000230799 -0.00653627 6
1605 95 C 15.2041 10.2139 35.1648 0.000623274 0.00176069 5.6068e-05 6
1606 96 C 13.78 10.3546 35.7145 0.000856394 -0.0017804 -0.000187862 6
1607 97 C 13.6804 10.9163 37.1625 0.000358442 0.00153526 -0.000597995 6
1608 98 C 13.9135 9.91602 38.3412 -0.00310571 0.00259488 0.0004264 6
1609 99 C 13.7294 10.6472 39.705 0.00369067 0.00328533 -0.00165665 6
1610 100 C 13.8834 9.68621 40.8517 -0.000375535 -0.00106906 0.0025296 6
1611 101 C 14.1257 10.4677 42.1733 0.000402898 0.000454149 0.00691296 6
1612 102 C 13.9335 9.52072 43.4018 -0.00285258 0.00330027 0.001973 6
1613 103 C 14.2607 10.2953 44.7041 -0.000915942 0.00115524 -0.00109429 6
1614 104 C 14.0013 9.44105 45.9625 0.0009104 -0.0014791 0.000973867 6
1615 105 C 14.9054 9.84282 47.1642 6.79232e-05 -0.0009305 -0.00125963 6
1616 106 C 21.2503 13.6694 34.3081 -0.00252918 0.000451346 -0.00512762 6
1617 107 C 20.7901 13.6355 35.7704 0.00210808 0.000231456 0.000760504 6
1618 108 C 21.8056 14.1526 36.8175 0.00101223 -0.00258216 -0.00108906 6
1619 109 C 21.438 13.8434 38.2623 -0.00281894 -0.00135239 0.00218107 6
1620 110 C 22.5012 14.4881 39.1869 0.00481271 -0.000260715 0.000668515 6
1621 111 C 23.0255 13.5296 40.2453 0.000459979 0.000244441 0.00352277 6
1622 112 C 22.0475 13.283 41.4263 -0.00523407 -0.00139089 0.00112463 6
1623 113 C 21.9861 14.4753 42.3959 -0.00108226 0.00225959 -0.00402069 6
1624 114 C 21.1482 14.0791 43.6194 -0.00050778 -0.00226512 -0.000816795 6
1625 115 C 21.4101 15.0335 44.8021 -0.000991101 -0.0012255 -0.00331033 6
1626 116 C 20.6439 14.7088 46.1255 -0.00117479 0.00460777 -0.00130818 6
1627 117 C 21.0982 15.6116 47.2918 0.00541706 -0.00372324 -0.00119458 6
1628 118 C 20.7541 6.64979 34.7015 -0.000605169 -0.00182385 0.0051743 6
1629 119 C 22.0974 5.91276 34.911 0.000166236 0.00393839 0.00170257 6
1630 120 C 22.3872 5.44202 36.3609 0.00134394 0.000395232 0.00490167 6
1631 121 C 22.371 6.53562 37.4256 -0.00229434 -0.000541204 -0.00264996 6
1632 122 C 22.6823 6.01492 38.8412 -0.00558275 0.000227847 -0.00331929 6
1633 123 C 21.5341 5.24167 39.4443 -0.00347039 -0.00066935 -0.00204863 6
1634 124 C 21.1798 5.73714 40.8522 -0.0035281 -0.00420992 0.00632407 6
1635 125 C 22.2256 5.3694 41.9402 -0.000165741 -7.52993e-06 -0.0021194 6
1636 126 C 21.5818 5.55984 43.309 -0.00132458 0.00016122 2.99789e-05 6
1637 127 C 22.4377 5.011 44.4629 -0.00125623 -0.000327107 0.00100944 6
1638 128 C 21.7661 5.23698 45.7936 0.00193451 -0.00210812 -0.00147239 6
1639 129 C 22.6024 4.87133 47.0197 0.00229017 9.94559e-06 -0.000383655 6
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1701 191 H 23.7236 8.53157 8.38022 5.27942e-05 0.0148487 -0.0126201 6
1702 192 H 23.0105 6.76565 6.79635 0.00919899 0.00703841 -0.00871874 6
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1725 215 H 27.8823 14.84 8.58353 -0.00466788 -0.0014764 0.0365169 6
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1729 219 H 28.1431 15.2054 5.89891 0.00562535 -0.00489788 -0.00690324 6
1730 220 H 27.2909 13.6461 5.93194 -0.0100469 0.0025366 0.0124243 6
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1740 230 H 15.4601 9.16563 35.3623 -0.00217391 0.000603318 -0.00244444 6
1741 231 H 15.9391 10.8638 35.6556 -0.000858303 -0.000970432 0.00586677 6
1742 232 H 13.2646 11.0235 35.0142 0.0143095 -0.00209005 -0.0104272 6
1743 233 H 13.1784 9.44965 35.5646 0.00419854 -0.00476748 0.00454081 6
1744 234 H 14.3109 11.8101 37.2467 -0.0109881 0.00803423 0.0155353 6
1745 235 H 12.6881 11.352 37.3326 -0.00558425 -0.0154644 0.00823577 6
1746 236 H 13.2414 9.05185 38.2705 0.00108035 -2.33681e-05 -0.00737161 6
1747 237 H 14.9222 9.48495 38.3379 -0.00156669 0.0061352 0.00622186 6
1748 238 H 14.5037 11.4177 39.8064 0.0002979 0.0074514 -0.00743987 6
1749 239 H 12.7484 11.138 39.7194 0.00362866 0.00324407 -0.00418971 6
1750 240 H 12.9849 9.0644 40.9495 0.00985806 -0.0145437 0.0110662 6
1751 241 H 14.7222 9.00417 40.6655 3.53994e-05 0.00419078 -0.0148687 6
1752 242 H 15.1374 10.8912 42.1524 0.000826636 -0.0008208 0.00152215 6
1753 243 H 13.4431 11.3253 42.2184 -0.0114209 -0.00900399 0.0076621 6
1754 244 H 12.9346 9.06738 43.4064 -0.00464345 0.00722178 -0.000917459 6
1755 245 H 14.6408 8.69133 43.2782 0.00941083 0.0148917 -0.00574541 6
1756 246 H 15.2925 10.6672 44.6841 0.00226923 -0.0070595 0.0107401 6
1757 247 H 13.6339 11.1949 44.7419 -0.00188561 0.000435037 -5.89938e-05 6
1758 248 H 12.9351 9.48761 46.2168 0.000159514 0.0140827 -0.00497387 6
1759 249 H 14.2513 8.41089 45.6803 0.00697739 0.000478643 -0.000827996 6
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1761 251 H 15.9462 9.73143 46.8361 -0.00168435 0.00809758 -0.00989617 6
1762 252 H 14.7349 10.8682 47.5149 0.0037519 -0.00081011 0.000181584 6
1763 253 H 22.3337 13.5265 34.2124 -0.00415038 -0.0177333 0.00372147 6
1764 254 H 20.9611 14.6741 33.976 -0.00547775 -0.000879924 -0.00659031 6
1765 255 H 19.9227 14.3061 35.8072 0.00823518 0.00814681 0.00144921 6
1766 256 H 20.5141 12.6017 36.0123 0.00260672 0.000335039 0.0017723 6
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1768 258 H 22.0232 15.203 36.5881 -0.00159977 -0.00350295 -0.00786255 6
1769 259 H 20.4545 14.2378 38.5463 0.00252711 0.00311826 0.0145447 6
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1773 263 H 23.2118 12.589 39.7123 -0.0052834 0.000806292 0.000500637 6
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1776 266 H 22.4165 12.4292 42.0079 0.00322759 -0.00942127 -0.0160654 6
1777 267 H 23.0129 14.6869 42.7192 -0.003672 0.000270415 0.00550773 6
1778 268 H 21.5689 15.3787 41.9342 0.00227009 0.0017635 -0.00801553 6
1779 269 H 20.0948 14.1003 43.3141 -0.00133092 -0.00287968 0.00198876 6
1780 270 H 21.4349 13.0721 43.9468 -0.00535243 -0.000487216 0.00889137 6
1781 271 H 22.4851 15.0417 45.0205 -0.000745986 -0.00574249 -0.00434623 6
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1783 273 H 19.5665 14.8457 45.9709 -0.00313336 0.00656381 0.0140884 6
1784 274 H 20.8696 13.6582 46.3464 0.00096401 0.00542347 0.000386923 6
1785 275 H 22.1941 15.6213 47.3409 0.00526423 -0.0196104 0.00538112 6
1786 276 H 20.7921 16.6478 47.102 0.0113879 -0.000386111 0.00741492 6
1787 277 H 20.7645 15.2413 48.269 0.00727491 0.0176848 0.00753806 6
1788 278 H 20.312 6.81884 35.6912 0.0200272 -0.0064269 0.0151771 6
1789 279 H 20.0723 5.9402 34.2167 0.00739305 -0.0086396 0.0038865 6
1790 280 H 22.8671 6.57744 34.4998 0.00517151 -0.00196325 0.00155441 6
1791 281 H 22.1772 5.00667 34.2977 0.0142996 0.0102483 -0.00580188 6
1792 282 H 23.3054 4.84225 36.3867 -0.00369199 -0.00698711 0.0130747 6
1793 283 H 21.6132 4.72233 36.6547 -0.00325367 0.00424413 0.00221533 6
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1795 285 H 23.0275 7.35053 37.0964 0.00546362 -0.00464329 0.00271695 6
1796 286 H 22.8891 6.91892 39.4272 -0.000342565 -0.00458776 0.00223965 6
1797 287 H 23.5699 5.37062 38.8601 -0.0150323 -0.0124634 0.00868426 6
1798 288 H 21.7689 4.17028 39.4251 0.00257462 0.000648648 -0.00180521 6
1799 289 H 20.6311 5.40454 38.8429 -0.00351018 -0.00236276 -0.00244485 6
1800 290 H 20.2131 5.31614 41.155 -0.00664363 0.00117613 0.00386452 6
1801 291 H 21.0499 6.82453 40.7881 -0.0111415 -0.00500274 0.00837724 6
1802 292 H 23.1031 6.01561 41.8147 0.00304547 -0.00412745 -0.000815156 6
1803 293 H 22.4959 4.30891 41.8647 0.00780945 0.00134535 0.00743994 6
1804 294 H 20.612 5.04872 43.3492 -0.00617799 0.0102404 0.0110479 6
1805 295 H 21.4323 6.63493 43.4677 0.00163312 -0.00169487 0.0154194 6
1806 296 H 23.4342 5.46708 44.5124 0.00243293 -0.00862897 0.00347213 6
1807 297 H 22.5739 3.93353 44.3082 -0.0139014 -0.000526473 -0.00879159 6
1808 298 H 20.847 4.6385 45.8164 0.00841286 -0.011925 0.00141106 6
1809 299 H 21.4592 6.28489 45.8992 -0.0136563 -0.00652823 -0.0026733 6
1810 300 H 22.8301 3.79978 47.0776 -0.00294361 -0.0016376 -0.0103747 6
1811 301 H 22.0288 5.12874 47.9187 0.00290431 -0.0165595 0.00475381 6
1812 302 H 23.5131 5.48136 47.0615 0.00220138 0.000635675 -0.00755796 6
1813 1 C 25.276 6.80714 30.9377 0.000930691 -0.00334855 0.00393444 7
1814 2 C 25.2901 6.77592 29.5348 -0.0033511 -0.00112154 -0.000174424 7
1815 3 C 24.8066 5.69267 28.8243 0.000289388 0.0050157 0.00125555 7
1816 4 C 24.2775 4.60752 29.5328 -0.00216886 0.00012623 0.00563123 7
1817 5 C 24.1681 4.59577 30.9607 0.00219897 -0.000447443 -0.00112637 7
1818 6 C 24.7313 5.71952 31.6561 0.00020377 -0.00121348 0.00315989 7
1819 7 C 19.7571 3.07514 30.455 0.00375822 -0.0018806 -0.00140111 7
1820 8 C 19.8815 3.02567 29.0314 0.00177919 -0.00424605 -0.0022099 7
1821 9 C 21.1822 3.09547 28.488 -0.00389611 -0.00432557 0.00337798 7
1822 10 C 22.3197 3.2028 29.3549 -0.00182142 -0.00171113 -0.00122209 7
1823 11 C 22.1522 3.27386 30.7695 -0.00159384 -0.00672903 0.00436924 7
1824 12 C 20.8449 3.26662 31.3339 -0.00384287 -0.00428959 -0.00164041 7
1825 13 C 25.6352 0.106455 30.9156 -0.00464492 0.00332747 0.000550103 7
1826 14 C 25.8111 0.145442 29.5574 0.00207714 0.00114594 0.000847695 7
1827 15 C 25.2241 1.16772 28.8733 -0.00672107 -0.00609495 -0.00261258 7
1828 16 C 24.5068 2.19576 29.5261 0.00123775 7.53006e-05 0.000882443 7
1829 17 C 23.7531 3.3404 28.8716 -0.00433534 0.00158835 0.0012463 7
1830 18 O 24.663 0.837303 32.9752 0.00135417 -0.00154667 0.000815879 7
1831 19 O 20.6949 3.32053 32.73 0.00199564 0.00148883 0.00158333 7
1832 20 O 24.7852 5.76479 33.0581 -0.00164001 -0.00130461 0.00165817 7
1833 21 C 24.8695 1.04605 31.628 -0.00355346 0.00151935 0.00687866 7
1834 22 C 24.0349 3.29904 27.4401 0.0013445 -0.00160338 0.000834149 7
1835 23 C 24.5162 3.3196 26.3345 -0.00436119 -0.00213448 0.000899618 7
1836 24 C 25.3063 3.37369 25.1519 -0.000174464 0.00487612 0.00269656 7
1837 25 C 25.869 2.22135 24.5979 0.00388719 -0.0038477 -0.000547136 7
1838 26 C 26.7778 2.30296 23.5037 -0.000381006 0.000512203 0.00302987 7
1839 27 C 27.251 3.58163 23.0954 0.00125239 0.00128051 0.00244603 7
1840 28 C 26.678 4.74386 23.6721 -0.00204819 -0.00705038 0.00127519 7
1841 29 C 25.7186 4.66996 24.7121 0.00379963 -0.00274048 0.00115948 7
1842 30 C 27.9779 3.70331 21.9155 -0.000245392 0.000800793 -3.78544e-05 7
1843 31 C 28.4026 3.7242 20.7779 0.000106883 -0.000173114 0.00070908 7
1844 32 C 27.1096 0.258051 18.4072 0.00284195 0.00318166 -0.0022166 7
1845 33 C 27.3997 0.214619 17.0313 0.000303336 -0.00337861 -0.00128356 7
1846 34 C 27.9885 1.32321 16.407 0.00255117 -0.00101702 -0.000687087 7
1847 35 C 28.3025 2.48033 17.1527 0.00117233 -0.000875758 -0.000452475 7
1848 36 C 28.0668 2.4953 18.5657 0.00062496 0.00312897 0.00318469 7
1849 37 C 27.4837 1.38221 19.1571 0.000979223 -0.00373545 0.00465705 7
1850 38 C 28.6344 3.72662 19.3167 0.00110427 0.00431413 0.0017001 7
1851 39 C 32.4577 3.66406 19.0275 -0.0029706 -0.00304682 -0.00360431 7
1852 40 C 32.5869 3.83066 17.6479 0.0013776 0.00251811 -0.00106847 7
1853 41 C 31.4663 3.98958 16.8649 0.00270858 -0.00309387 0.0020626 7
1854 42 C 30.2084 3.94985 17.445 -0.00177432 0.00189339 0.00170821 7
1855 43 C 30.0863 3.85169 18.8157 -0.00255764 0.000120043 0.00345151 7
1856 44 C 31.1839 3.67341 19.6192 -0.00145133 -0.00245717 0.00354897 7
1857 45 C 26.5485 6.90742 18.5979 0.00101351 -0.00050106 0.000661936 7
1858 46 C 26.5969 6.87885 17.1966 0.00441692 0.00256667 -0.00176771 7
1859 47 C 27.4022 5.90222 16.5149 0.00223629 0.00143622 -0.00341214 7
1860 48 C 28.0513 4.90947 17.2565 -0.000844094 -0.00245518 -0.00148661 7
1861 49 C 28.8969 3.8108 16.6432 -0.00190917 -0.00109227 0.00426944 7
1862 50 C 27.9642 4.92396 18.6789 -0.00336263 -0.000784932 -0.00305442 7
1863 51 C 27.2506 5.95553 19.3493 -0.00221422 -0.00219259 0.00357408 7
1864 52 O 31.5685 4.27183 15.5174 0.000897766 -0.00140589 0.00129754 7
1865 53 O 28.3263 1.30738 15.0675 -0.000473362 0.000766492 -0.00177616 7
1866 54 O 27.5528 5.97233 15.1933 -0.00165173 -0.000310284 -0.000823762 7
1867 55 C 23.4955 3.31837 31.5304 0.00474588 -0.000887428 0.000459395 7
1868 56 C 24.3053 2.13112 30.9219 -0.00152728 0.00119339 -0.000636298 7
1869 57 C 31.695 3.15667 14.6081 0.00224206 -4.43171e-05 -0.00177985 7
1870 58 C 31.7678 3.74703 13.1623 -0.00577693 -0.000656061 -0.000111524 7
1871 59 C 30.4644 3.78151 12.3887 0.00142456 -0.000703293 -0.00462761 7
1872 60 C 30.4298 2.87781 11.1342 -0.000422887 -0.00149554 0.00175672 7
1873 61 C 30.8482 3.54844 9.80135 0.00290372 0.000332536 0.00431929 7
1874 62 C 30.3718 2.75565 8.59423 0.000652879 0.00286423 0.00364359 7
1875 63 C 30.5404 3.58623 7.28079 0.00244118 -0.00469907 0.00381474 7
1876 64 C 30.2741 2.77598 6.04054 0.00346303 0.000230912 -0.000222842 7
1877 65 C 30.3729 3.58546 4.70428 -0.000817695 0.00418671 0.000118442 7
1878 66 C 30.362 2.66515 3.44481 -0.000759687 -0.00332022 0.00297383 7
1879 67 C 30.3389 3.55634 2.19234 0.00179041 0.00274653 -0.000585771 7
1880 68 C 30.7651 2.73479 0.985948 -0.00179121 0.00328322 7.25805e-05 7
1881 69 F 27.2171 1.17201 22.9308 0.0010936 0.00662716 0.00172563 7
1882 70 C 28.6338 0.0895926 14.4299 0.00213015 -0.00351267 -0.00145174 7
1883 71 C 29.2689 0.37832 13.1041 -0.000211249 0.00072889 -0.000839017 7
1884 72 C 29.5107 -0.883112 12.2914 0.00141847 -0.00229141 -0.00678137 7
1885 73 C 29.9132 -0.667885 10.8366 -0.00364324 0.00160192 -0.00136176 7
1886 74 C 30.6733 -1.8762 10.266 7.01881e-05 -0.000551153 -0.00367797 7
1887 75 C 31.3099 -1.56654 8.91645 0.00201469 -0.00049686 0.00309511 7
1888 76 C 30.3107 -1.41794 7.71165 0.000283325 -0.000325154 0.00522341 7
1889 77 C 31.1001 -0.915757 6.47424 0.00269989 -0.000170953 -0.00111621 7
1890 78 C 30.13 -0.715124 5.28417 0.00258714 0.00219398 0.00138493 7
1891 79 C 29.8708 -2.07713 4.57019 0.000726004 0.000303833 -0.00515353 7
1892 80 C 29.0005 -1.84995 3.26625 0.00165396 -0.0041157 -0.00196418 7
1893 81 C 29.8643 -1.22905 2.13957 -0.00170675 0.000341298 0.000511752 7
1894 82 C 26.8998 5.11059 14.2866 3.29748e-05 0.00149084 0.00177697 7
1895 83 C 27.3602 5.40977 12.8788 -0.00163617 0.000922702 -0.000626901 7
1896 84 C 27.0184 4.31963 11.8786 0.00211763 -0.00291009 -0.00262782 7
1897 85 C 27.5009 4.70313 10.47 0.00207569 -0.00205848 0.00101551 7
1898 86 C 26.4567 5.45832 9.70084 0.00236701 -0.00121253 -0.00128281 7
1899 87 C 26.8532 5.59734 8.22418 0.00353988 -0.00484888 -0.00411269 7
1900 88 C 25.7369 6.14198 7.29622 0.000886975 -0.00471621 -0.00349255 7
1901 89 C 26.1652 6.41111 5.85777 -0.000401892 -8.35481e-06 0.00285928 7
1902 90 C 26.6037 5.12978 5.13922 0.00540976 0.0047679 0.00180592 7
1903 91 C 27.001 5.35064 3.65999 -0.00163581 -0.000724643 -0.00367086 7
1904 92 C 25.8878 6.02069 2.80859 0.000319285 0.000738796 0.00125777 7
1905 93 C 26.3078 5.96992 1.32331 -0.00088693 -0.00166053 -0.000641146 7
1906 94 C 19.3727 3.45094 33.3147 -0.000969928 0.00203353 -0.000164705 7
1907 95 C 19.5067 3.3476 34.8098 -0.00111322 0.00320175 0.00302252 7
1908 96 C 18.2301 3.62212 35.6556 0.000516667 0.00391028 0.000852275 7
1909 97 C 18.546 3.50553 37.1481 0.000241751 -0.0013446 0.000592849 7
1910 98 C 17.35 3.98174 38.0612 -0.00318954 0.00138384 -0.00069826 7
1911 99 C 17.7182 4.03114 39.548 -0.000527852 -0.000248167 0.0040182 7
1912 100 C 18.0532 2.66174 40.1571 -0.000613149 -0.00229967 0.00363462 7
1913 101 C 18.6494 2.62179 41.5686 -0.00175904 -0.000531499 0.00389096 7
1914 102 C 17.6832 2.90094 42.735 0.00072666 -0.000911719 -0.00218566 7
1915 103 C 18.4586 2.72607 44.0886 0.000369186 0.00037999 -0.00203726 7
1916 104 C 17.6196 3.00939 45.3531 -0.00271937 -0.000604332 0.00243425 7
1917 105 C 18.3034 2.70356 46.6977 0.000187093 -9.51428e-05 -0.00119727 7
1918 106 C 25.4581 6.91192 33.651 0.000431633 0.0031856 -0.00159517 7
1919 107 C 25.5641 7.08004 35.1752 -0.00253568 -0.00363411 -0.00277883 7
1920 108 C 26.5265 8.25435 35.6087 -0.000175488 0.00701823 0.00130848 7
1921 109 C 26.2427 8.80372 36.9993 0.0054797 -0.00212693 -0.000339416 7
1922 110 C 26.1016 7.84104 38.1967 -0.00443585 0.000553722 -0.00430634 7
1923 111 C 25.9662 8.56997 39.5437 0.00132981 -0.000436383 -0.00027235 7
1924 112 C 25.7162 7.64936 40.7675 -0.00270682 0.00016873 0.000629707 7
1925 113 C 25.664 8.44988 42.1286 0.00331989 0.0017358 -0.000748073 7
1926 114 C 25.4425 7.55492 43.3796 0.00189641 0.0014268 -0.00305909 7
1927 115 C 25.4509 8.41691 44.7067 0.00182314 0.00307655 -0.000671705 7
1928 116 C 25.4674 7.46402 45.9125 0.00145294 -0.00195555 0.00490214 7
1929 117 C 25.3705 8.16323 47.2614 -0.00126318 0.000687576 -0.00256483 7
1930 118 C 25.3917 -0.224312 33.6644 0.00219962 -0.00335524 -0.000760293 7
1931 119 C 25.1299 -0.428089 35.179 0.00158515 0.00230323 0.00135467 7
1932 120 C 26.077 -1.54711 35.7406 -0.000610746 0.00123779 -8.95606e-05 7
1933 121 C 25.8892 -1.86475 37.2672 -0.0012341 -0.00193796 -0.00141967 7
1934 122 C 26.1805 -0.684682 38.2308 -0.000637282 -0.00193251 0.00255913 7
1935 123 C 25.9847 -1.15764 39.679 -0.00268004 -0.00255126 0.00188776 7
1936 124 C 25.6564 0.0100373 40.6526 -0.00107019 -0.000989722 0.000975946 7
1937 125 C 25.2678 -0.443446 42.0782 0.00106552 -0.00250983 0.000700358 7
1938 126 C 26.4244 -1.00031 42.8983 0.00305498 -0.000792707 0.000238419 7
1939 127 C 25.9322 -1.44223 44.2712 -0.00273319 -9.83427e-05 0.00170064 7
1940 128 C 25.4844 -0.268377 45.1675 -0.00040358 -0.00663886 -0.0005958 7
1941 129 C 25.1038 -0.736254 46.6016 -0.00388661 0.00374177 -0.0033381 7
1942 130 F 25.5254 0.970096 25.066 -0.00158235 0.00227687 0.001597 7
1943 131 H 25.7117 7.7078 31.3601 -0.0102003 0.00518001 -0.00270542 7
1944 132 H 25.741 7.5407 28.9093 -5.32463e-05 0.0142219 0.0211071 7
1945 133 H 24.9269 5.72646 27.7455 0.00154181 -9.47152e-05 0.00123986 7
1946 134 H 18.7659 2.95809 30.883 0.00762756 -0.0046697 0.00681536 7
1947 135 H 19.0092 2.9531 28.3886 5.56982e-05 -0.00051908 -0.000296236 7
1948 136 H 21.3485 3.05915 27.4155 0.00459833 0.0121804 0.00412148 7
1949 137 H 26.0877 -0.768089 31.3737 -0.00564036 0.00158604 -0.00178168 7
1950 138 H 26.3953 -0.615763 29.0487 0.00405002 0.00201742 0.00180712 7
1951 139 H 25.3918 1.21078 27.8012 0.000324194 -0.0110904 -0.0017044 7
1952 140 H 26.9557 5.73816 23.335 0.0012168 -0.00142284 0.0204783 7
1953 141 H 25.3035 5.57143 25.153 0.00201613 0.00181769 -0.00983152 7
1954 142 H 26.6708 -0.586461 18.9303 0.0113563 0.00326995 0.00507689 7
1955 143 H 27.2496 -0.716702 16.4932 0.00346106 -0.00971783 0.00878457 7
1956 144 H 27.3207 1.37602 20.2308 0.00579933 -0.0113896 0.00534154 7
1957 145 H 33.3203 3.67322 19.6872 -0.00315994 0.0155788 -0.00355657 7
1958 146 H 33.5723 3.90641 17.1976 0.00352311 -0.00184835 0.00289076 7
1959 147 H 31.0785 3.57059 20.6952 0.00732173 -9.58804e-05 0.00463685 7
1960 148 H 26.0196 7.68028 19.1478 0.0070116 -0.00181737 0.00830731 7
1961 149 H 26.0708 7.64434 16.6339 0.00700544 0.000983812 -0.00634872 7
1962 150 H 28.9459 3.82412 15.5474 0.0105113 -0.00438365 0.00480715 7
1963 151 H 27.1435 6.01041 20.4286 0.00982892 -0.00647361 0.00496866 7
1964 152 H 23.432 3.34365 32.6253 -0.00725932 0.00332566 -0.000337255 7
1965 153 H 32.6537 2.66966 14.8251 -0.000472289 0.00495986 0.0214188 7
1966 154 H 30.8918 2.4196 14.731 -0.000598304 0.00374022 0.00233008 7
1967 155 H 32.5091 3.1211 12.6504 -0.00519767 0.000840983 -0.0010987 7
1968 156 H 32.1752 4.76516 13.1925 -0.0167609 0.0034209 0.0105842 7
1969 157 H 30.2506 4.82749 12.1365 -0.0113284 -0.00452194 -0.00964152 7
1970 158 H 29.6388 3.47611 13.0432 0.00386043 -0.00111956 -0.00175624 7
1971 159 H 29.4116 2.47043 11.1073 0.00462367 -0.0133908 -0.00828369 7
1972 160 H 31.078 2.01246 11.3199 0.00386178 0.000671424 -0.00313581 7
1973 161 H 31.9409 3.57448 9.70774 0.000745056 0.00292607 -0.0204166 7
1974 162 H 30.5023 4.5868 9.72688 0.000562798 0.000402977 0.0162921 7
1975 163 H 29.3222 2.47994 8.7545 -0.000827308 0.00614446 -0.00044637 7
1976 164 H 30.8983 1.79552 8.52784 -0.0101575 -0.0033446 0.00748765 7
1977 165 H 31.5778 3.94302 7.2778 -0.00330614 0.0120509 0.00979567 7
1978 166 H 29.8609 4.44726 7.29751 0.0214428 0.0100325 0.0169598 7
1979 167 H 29.3456 2.19396 6.09205 -6.11687e-05 0.00558276 -0.00349166 7
1980 168 H 31.0539 2.00514 6.00782 -0.00268135 -0.00669586 0.0164503 7
1981 169 H 31.3089 4.14836 4.80716 0.00587259 -0.00791703 0.00590048 7
1982 170 H 29.4964 4.24386 4.66306 -0.00341361 -0.000396537 -0.0179245 7
1983 171 H 29.507 1.97844 3.41888 -0.00232005 -0.00119224 -0.0019937 7
1984 172 H 31.2547 2.02801 3.47112 0.00119192 -0.000941809 -0.00587585 7
1985 173 H 31.0476 4.36415 2.41299 0.00043121 0.0056459 -0.0069304 7
1986 174 H 29.3498 3.99684 2.01651 -0.00014141 0.0014533 0.00705208 7
1987 175 H 30.0482 1.9323 0.772682 -0.000714348 0.00425719 -0.00718898 7
1988 176 H 31.716 2.20969 1.13891 0.00250822 0.0103621 -0.0023241 7
1989 177 H 30.993 3.34327 0.102074 -0.0250923 -0.0101207 -0.015101 7
1990 178 H 29.2905 -0.511648 15.0707 0.00328544 0.00342456 0.00387777 7
1991 179 H 27.7144 -0.484022 14.259 0.00822353 -0.00823591 -0.0183417 7
1992 180 H 28.5947 1.05624 12.5664 0.00171125 0.00188441 -0.0017882 7
1993 181 H 30.2138 0.905504 13.285 -0.000603389 0.00349411 -0.00687403 7
1994 182 H 30.2917 -1.43696 12.827 -0.00123866 0.00461138 0.00424926 7
1995 183 H 28.6103 -1.50837 12.3324 0.00610373 -0.0080491 0.00885007 7
1996 184 H 29.0236 -0.411142 10.2484 -0.00032625 0.0133092 -0.00126885 7
1997 185 H 30.6278 0.161543 10.7673 6.3281e-05 -0.00232241 -0.0101791 7
1998 186 H 31.4792 -2.04837 10.9901 0.00371675 -0.00550352 -0.00893974 7
1999 187 H 30.0464 -2.77611 10.2888 -0.000624135 -7.12004e-06 -0.00109285 7
2000 188 H 31.807 -0.591897 8.99618 -0.00871716 0.00436404 0.0106351 7
2001 189 H 32.1075 -2.28155 8.67963 0.00873811 0.0038707 0.0125442 7
2002 190 H 29.7988 -2.37518 7.5534 -0.00292926 0.00252007 -0.00150617 7
2003 191 H 29.5371 -0.679647 7.95605 -0.00391775 -0.00697468 0.0120077 7
2004 192 H 31.6256 0.0246336 6.6814 -0.0054764 0.00257581 0.00714309 7
2005 193 H 31.8359 -1.69439 6.23821 0.0100267 0.00533536 0.00363179 7
2006 194 H 29.2012 -0.198718 5.55639 -0.00357844 -0.0123311 0.00785697 7
2007 195 H 30.6908 -0.0516023 4.61437 -0.0200932 0.002487 -0.0172274 7
2008 196 H 30.7904 -2.61842 4.31591 0.00542553 0.00993995 -0.00864862 7
2009 197 H 29.2832 -2.73401 5.22342 0.013356 -0.00121138 0.00464495 7
2010 198 H 28.5855 -2.82427 2.98018 0.00421871 -0.006598 0.00275155 7
2011 199 H 28.1259 -1.24362 3.53246 -0.00362992 -0.00972657 -0.00655641 7
2012 200 H 30.7584 -1.82773 1.92602 0.00665489 0.0136632 -0.00181299 7
2013 201 H 29.2524 -1.17245 1.2308 0.0111301 0.0102166 -0.00749973 7
2014 202 H 30.1321 -0.196595 2.3959 0.0121456 -0.00412058 0.00393609 7
2015 203 H 27.1308 4.05392 14.4696 0.0229605 0.00620129 4.46286e-05 7
2016 204 H 25.8232 5.27513 14.4182 -0.000437294 -0.00124377 0.00134364 7
2017 205 H 26.9152 6.37566 12.6096 -0.0131978 -0.00821788 -0.0141976 7
2018 206 H 28.4459 5.55903 12.9269 -0.000859 -0.00254774 -0.00751707 7
2019 207 H 27.5343 3.39102 12.1525 -0.00770047 -0.00713764 0.00147925 7
2020 208 H 25.9396 4.12099 11.8774 0.00283629 -0.00681696 -0.0011508 7
2021 209 H 28.4432 5.25984 10.5445 -4.96387e-05 0.000882167 0.00585726 7
2022 210 H 27.7995 3.81141 9.90505 -0.00532099 -0.00946939 0.00884451 7
2023 211 H 25.4928 4.94236 9.79107 0.00923638 -0.0133349 0.00283246 7
2024 212 H 26.3699 6.44702 10.1681 -0.00515309 0.00304861 -0.0117237 7
2025 213 H 27.7262 6.25722 8.14867 -0.0101991 0.0130184 -0.00671357 7
2026 214 H 27.2085 4.6236 7.86508 0.00994538 0.00119192 -0.0141677 7
2027 215 H 24.8881 5.4472 7.28679 -0.0100672 0.00857979 0.0011646 7
2028 216 H 25.3047 7.07923 7.66786 -0.00681299 -0.00869142 -0.00239737 7
2029 217 H 25.3427 6.86885 5.29438 -0.0101071 -0.00564075 0.0124985 7
2030 218 H 26.9432 7.18449 5.85449 0.0074756 -0.00799763 -0.0060571 7
2031 219 H 27.489 4.74366 5.65935 -0.00128446 -0.00153283 0.00848932 7
2032 220 H 25.7399 4.46977 5.28675 0.0122962 -0.0036365 0.00433872 7
2033 221 H 27.9063 5.96992 3.64462 -0.00825119 0.0091098 0.0023844 7
2034 222 H 27.2996 4.37879 3.24794 -0.00178515 -0.00368551 0.00318598 7
2035 223 H 24.943 5.47423 2.91911 0.00179267 -0.0027458 -0.00337139 7
2036 224 H 25.6397 7.0551 3.07668 -0.0124311 -0.00163168 -0.0012854 7
2037 225 H 26.5989 4.97579 0.962241 -0.00107119 -0.000743788 -0.00333125 7
2038 226 H 25.4873 6.23731 0.645991 -0.00424747 -0.000525963 0.00389385 7
2039 227 H 27.0987 6.70691 1.13721 0.00830198 -0.0116703 -0.00109693 7
2040 228 H 18.9279 4.40827 33.0162 -0.0170009 -0.00661516 -0.00404631 7
2041 229 H 18.7273 2.63351 32.9701 -0.0010751 0.00275724 -0.00168546 7
2042 230 H 19.8344 2.32552 35.0364 -0.00656195 0.00209075 0.00588771 7
2043 231 H 20.336 3.97955 35.1508 0.00213419 0.00573325 -0.00958005 7
2044 232 H 17.7214 4.56618 35.4247 0.00193851 0.00953477 0.0206185 7
2045 233 H 17.449 2.87564 35.466 -0.00103297 0.00454615 0.00471001 7
2046 234 H 18.8466 2.47185 37.3593 0.00556188 0.00017185 0.000462892 7
2047 235 H 19.3914 4.16572 37.3781 0.00142221 -0.00223458 -0.00120337 7
2048 236 H 17.1422 5.02778 37.8042 -0.0233355 -0.00119869 0.00521519 7
2049 237 H 16.4513 3.37539 37.8939 -0.0113441 0.0108571 0.00878441 7
2050 238 H 18.5401 4.74908 39.66 0.00307231 -0.00268752 -0.0067734 7
2051 239 H 16.8822 4.47052 40.106 -0.00821021 -0.000818207 -0.00704222 7
2052 240 H 17.1145 2.09422 40.1699 0.000925398 -0.00512568 -0.00877214 7
2053 241 H 18.742 2.13322 39.4865 -0.00277149 -0.0147311 0.0111955 7
2054 242 H 19.1701 1.6747 41.7566 -0.00949313 -0.0100601 -0.0229807 7
2055 243 H 19.4977 3.31732 41.5557 0.0079183 -0.0123691 -0.000495433 7
2056 244 H 17.2481 3.89746 42.5899 0.00259785 0.000797169 0.00403556 7
2057 245 H 16.8163 2.22954 42.7 0.000870411 -0.000382103 -0.0159251 7
2058 246 H 18.8357 1.69833 44.1588 0.00813068 0.004071 0.0102877 7
2059 247 H 19.3213 3.40081 44.0272 0.00495309 -0.00477967 0.0060274 7
2060 248 H 17.2414 4.03887 45.3778 0.00941634 0.00395003 -0.00281724 7
2061 249 H 16.7004 2.41085 45.3372 -0.000569364 -0.00410298 0.0097777 7
2062 250 H 17.6116 2.98003 47.503 -0.0010509 -0.00106693 -0.00192682 7
2063 251 H 18.603 1.66214 46.8681 -0.0268571 -0.00584003 0.0112341 7
2064 252 H 19.2034 3.32094 46.8083 -0.0104684 0.0173472 -0.0118635 7
2065 253 H 26.4874 6.92239 33.2718 0.00107958 0.00926419 0.000335023 7
2066 254 H 24.9082 7.79646 33.3066 -0.00761935 0.0050343 0.0159842 7
2067 255 H 24.5795 7.19174 35.6459 0.00579137 0.000866507 0.0135977 7
2068 256 H 26.0446 6.18702 35.5935 -0.0041599 -0.0020181 0.00253491 7
2069 257 H 27.5635 7.91284 35.501 0.00224805 0.0123692 0.00781468 7
2070 258 H 26.4915 9.07347 34.8798 0.00272783 0.0085098 0.00284297 7
2071 259 H 27.052 9.49947 37.253 0.009291 -0.00387843 -0.00774066 7
2072 260 H 25.3486 9.43404 36.9171 0.00164041 -0.00738173 0.00119736 7
2073 261 H 25.2021 7.23411 38.0357 -0.00525701 0.000808097 -0.000665234 7
2074 262 H 26.9727 7.1765 38.1419 -0.00990611 -0.00622852 -0.0091797 7
2075 263 H 26.8358 9.21106 39.7337 0.00588788 -0.00433848 -0.0079977 7
2076 264 H 25.0931 9.23089 39.477 0.00046521 -0.00131998 0.00226186 7
2077 265 H 24.7853 7.1044 40.568 -0.00230405 -0.00173913 0.00398413 7
2078 266 H 26.49 6.8728 40.8082 -0.0094733 -0.00633138 0.00550672 7
2079 267 H 26.6592 8.90793 42.1857 0.00227604 0.00526168 -0.0104923 7
2080 268 H 24.9301 9.26513 42.1176 0.000877721 -0.000356648 0.006895 7
2081 269 H 24.4982 6.99729 43.3499 0.00413578 -0.00184326 -0.01237 7
2082 270 H 26.211 6.77587 43.4562 -0.00142551 -0.00241284 -0.00879483 7
2083 271 H 26.3262 9.05069 44.8953 0.00726952 -0.000775909 -0.0132035 7
2084 272 H 24.5339 9.01404 44.7841 0.00773486 0.0128528 -0.0063702 7
2085 273 H 24.5996 6.80077 45.81 0.00469399 -0.00578713 0.00226614 7
2086 274 H 26.3788 6.85359 45.9092 0.00579876 0.00451263 0.00774373 7
2087 275 H 25.295 7.48553 48.1207 0.00051578 -0.000108553 -0.00303918 7
2088 276 H 26.2363 8.81974 47.4126 0.00646842 -0.00675855 -0.0145018 7
2089 277 H 24.4706 8.79045 47.2706 0.000784406 0.00335071 0.0159356 7
2090 278 H 25.2018 -1.19152 33.1829 0.00399552 -0.00336053 -0.0014558 7
2091 279 H 26.4558 0.032467 33.5927 0.0017837 -0.00518308 -0.0132316 7
2092 280 H 24.0709 -0.69798 35.275 0.00237609 -0.00142259 -0.000387336 7
2093 281 H 25.3052 0.491271 35.7512 0.0125855 0.00560736 -0.00733247 7
2094 282 H 27.1457 -1.38621 35.5524 -0.00477646 0.00500358 -0.0204334 7
2095 283 H 25.8984 -2.45602 35.1529 -0.00224649 0.00323341 -0.00268193 7
2096 284 H 26.5738 -2.64643 37.6188 -0.00145435 -0.00385114 -0.00528298 7
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2203 89 C 34.8516 13.5158 6.3098 0.000779391 -0.00181385 -0.00162153 8
2204 90 C 34.4266 14.1041 4.92284 0.000677781 -0.000250215 0.00480943 8
2205 91 C 35.2753 13.6302 3.75134 -0.00369907 0.00253447 0.00136642 8
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2233 119 C 29.3637 5.95795 34.3648 0.00346003 0.000512697 0.00144381 8
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2240 126 C 29.9418 5.88867 43.2501 -0.00246191 -0.00324525 0.00161729 8
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2243 129 C 29.2106 5.68603 47.087 -0.00454542 0.00393639 0.000685647 8
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2402 288 H 28.4221 5.57311 39.2734 -0.00354947 0.00474186 0.00127249 8
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2418 2 C 33.3116 6.64879 29.5046 -0.000360489 0.00373761 9.36463e-05 9
2419 3 C 32.8706 5.52964 28.8528 0.00242634 0.00170336 -0.000353403 9
2420 4 C 32.1998 4.53388 29.6164 0.000188523 -0.0065053 -7.72994e-05 9
2421 5 C 32.0322 4.61785 31.0203 0.00474646 0.00130749 0.00491079 9
2422 6 C 32.5716 5.80086 31.6453 -0.00232904 0.000315445 0.000798535 9
2423 7 C 27.6109 3.21062 30.1929 -0.000538074 0.00138793 -0.00275042 9
2424 8 C 27.8564 3.12405 28.8234 0.000908325 -0.00274474 -0.00219643 9
2425 9 C 29.1919 3.10757 28.4014 0.000198853 -0.00227718 0.0026459 9
2426 10 C 30.2172 3.19989 29.3479 -0.000877679 -0.00460179 0.00209675 9
2427 11 C 29.948 3.29086 30.7172 -0.00159007 0.000902595 0.00124303 9
2428 12 C 28.6283 3.24403 31.1659 0.00545539 6.7709e-05 -0.00156322 9
2429 13 C 33.2644 0.0145041 31.4067 -0.000245197 0.00127161 0.00524207 9
2430 14 C 33.3991 -0.0925242 30.0279 -0.00318562 0.00271587 0.000467377 9
2431 15 C 32.9179 0.966673 29.2281 -0.00246644 -0.00257986 -0.000807254 9
2432 16 C 32.2826 2.07121 29.8186 -0.00314145 0.00288127 0.000448906 9
2433 17 C 31.6878 3.21946 28.9997 0.000771928 -0.00286464 -0.00139253 9
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2438 22 C 32.0695 3.12603 27.5623 0.00206465 -0.00284012 -9.42978e-05 9
2439 23 C 32.5644 3.10335 26.446 0.00610177 -0.00163069 -0.00230832 9
2440 24 C 33.3305 3.16212 25.2385 0.002101 0.00189035 -0.00368507 9
2441 25 C 34.4183 2.28483 25.0752 -0.00199567 -0.00051888 0.00215618 9
2442 26 C 35.2337 2.42684 23.9429 0.00239796 -0.00263414 -0.00337558 9
2443 27 C 34.9679 3.39539 22.9672 0.00799799 -0.00314391 -0.000930333 9
2444 28 C 33.894 4.28069 23.1263 0.00478306 0.00134816 -0.00194848 9
2445 29 C 33.0684 4.1521 24.2724 6.29311e-05 -8.21568e-05 0.00301914 9
2446 30 C 35.6994 3.45579 21.7408 -0.00400496 0.00363754 0.000653652 9
2447 31 C 36.1941 3.50461 20.6265 -0.00411133 0.00233678 -0.00101513 9
2448 32 C 35.0475 0.00951136 18.3213 -0.00165701 -0.00409717 -0.00289398 9
2449 33 C 35.274 -0.0334632 16.9458 0.00177698 -0.00278919 -0.0012764 9
2450 34 C 35.9184 1.00378 16.3179 0.00354556 0.00177331 -0.00165051 9
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2452 36 C 36.0427 2.19011 18.461 -0.00434241 0.0010733 0.000957197 9
2453 37 C 35.3598 1.10811 19.0738 0.00336181 -0.00298564 -8.56772e-05 9
2454 38 C 36.5414 3.43676 19.2031 0.00279725 0.0033232 -0.00210671 9
2455 39 C 40.3713 3.8602 19.1549 -0.0044312 -0.00538688 -0.000669226 9
2456 40 C 40.5387 4.05732 17.7711 0.00554217 0.0016268 0.00445283 9
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2458 42 C 38.2095 3.60616 17.4175 0.00157433 -0.00428942 0.00196097 9
2459 43 C 37.9904 3.53018 18.8082 0.00166243 -0.00101271 0.00314945 9
2460 44 C 39.0881 3.60554 19.6658 0.00331166 0.000822802 -0.00244413 9
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2464 48 C 36.0937 4.60659 17.0291 0.000102655 -0.00358457 -0.00151125 9
2465 49 C 36.9735 3.43657 16.5592 -9.88928e-05 0.000810293 -0.00552832 9
2466 50 C 35.8274 4.57836 18.4221 -0.00408046 -0.002884 -0.000237941 9
2467 51 C 35.0593 5.69342 18.9449 0.00537436 -0.00041413 0.00118423 9
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2476 60 C 38.6235 3.68959 10.6555 -0.00134427 -0.000954699 -0.00311971 9
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2479 63 C 38.021 2.57099 6.92851 -0.000599589 -0.00278846 -0.000335558 9
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2481 65 C 37.4909 2.35374 4.4492 -8.16336e-05 6.66663e-06 0.00343552 9
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2489 73 C 37.675 -1.11126 11.4028 0.00279832 8.13985e-05 0.00203622 9
2490 74 C 38.5289 -1.87735 10.3538 -0.00100017 0.00541042 0.00280014 9
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2495 79 C 38.3682 -1.72085 4.24839 0.00582238 0.00243647 0.00378136 9
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2499 83 C 35.1509 4.42848 12.6428 0.0050989 0.000323774 0.00459642 9
2500 84 C 34.7365 5.72977 11.9551 0.00104397 -0.00509777 -0.0015134 9
2501 85 C 33.9832 5.5051 10.6411 0.0027055 -0.00119224 -0.00010443 9
2502 86 C 34.7587 4.85476 9.50098 0.000800882 -0.00384978 0.00119274 9
2503 87 C 34.3069 5.44195 8.14292 0.00113663 0.00136359 -0.000784046 9
2504 88 C 34.7584 4.70214 6.86347 -0.00160691 -0.000542057 -0.000590491 9
2505 89 C 34.0961 5.37861 5.66713 0.000380242 0.00385029 0.0030852 9
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2512 96 C 25.5181 3.40465 35.1615 0.0004592 0.00116787 0.00236563 9
2513 97 C 25.5145 2.99825 36.6392 0.000285002 5.68043e-05 0.00210557 9
2514 98 C 25.9138 4.02487 37.706 0.00533328 0.00165847 -0.000789994 9
2515 99 C 25.742 3.30944 39.0869 -0.00304743 0.00383311 0.0037427 9
2516 100 C 25.8393 4.18571 40.3298 -0.00112023 0.000568002 0.00042324 9
2517 101 C 25.7059 3.28949 41.579 0.00279579 -0.00267929 -0.00195782 9
2518 102 C 25.711 4.06648 42.895 -0.00339677 0.00264723 -0.00136571 9
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2521 105 C 25.7183 2.81534 46.6504 -0.00293131 -0.00341623 0.00258705 9
2522 106 C 33.0701 7.21147 33.6223 0.00209383 -0.00124889 0.00359806 9
2523 107 C 33.0029 7.45011 35.1674 0.00242389 0.00113608 0.00169262 9
2524 108 C 33.9754 8.58969 35.5381 0.00202618 -0.00132103 0.00204692 9
2525 109 C 33.9782 9.09491 37.029 -0.0017528 -0.00131765 -0.00223959 9
2526 110 C 34.1771 8.01804 38.0903 0.000502388 -0.00154355 -0.00150761 9
2527 111 C 34.047 8.62332 39.5544 0.000425876 0.0011011 0.00478569 9
2528 112 C 33.6382 7.59829 40.6375 0.0038145 0.00122518 0.00257911 9
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2530 114 C 34.3013 8.77537 42.8737 -0.00739797 -0.0017361 -0.00248989 9
2531 115 C 33.9074 9.14813 44.326 0.00298413 -0.00353915 0.000763788 9
2532 116 C 33.6464 7.95601 45.2578 0.000702913 -0.00115336 0.00314193 9
2533 117 C 33.6591 8.42131 46.7558 -0.00363472 0.000653694 -0.000278051 9
2534 118 C 32.991 -0.0782732 34.2234 0.00448499 -0.00746228 -0.000242349 9
2535 119 C 32.4606 -0.0884971 35.6609 -0.000849714 0.00344671 -0.000933421 9
2536 120 C 33.2589 -0.970389 36.5943 -0.000251303 0.00194018 0.000581715 9
2537 121 C 32.9274 -0.554021 38.0462 -0.00261583 -0.000457831 0.000211701 9
2538 122 C 33.9282 -1.08836 39.0511 -0.000783913 -0.00235134 -0.000485656 9
2539 123 C 34.1076 -0.21798 40.3262 0.000531417 0.0005082 -0.000150535 9
2540 124 C 33.1398 -0.433621 41.4537 0.000711423 -0.00351777 0.000356084 9
2541 125 C 33.3736 -1.72794 42.1976 0.00281844 0.0016667 0.0019829 9
2542 126 C 32.8971 -1.68712 43.6556 5.72038e-05 -0.000222172 0.000236749 9
2543 127 C 33.8572 -0.950699 44.6137 -0.00489503 0.000734352 -0.00258526 9
2544 128 C 33.8681 -1.3472 46.1091 -0.00173507 -0.00100236 0.000952156 9
2545 129 C 32.8448 -0.517454 46.9472 -0.00221549 -0.00148612 0.00359087 9
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2549 133 H 33.0464 5.48754 27.7819 0.019145 -0.0103499 0.00286421 9
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2565 149 H 34.3239 7.35194 16.0518 -0.00467 0.00184414 0.0091386 9
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2567 151 H 34.8887 5.71165 20.0173 0.0092317 0.00236563 0.00174949 9
2568 152 H 31.0739 3.46837 32.6963 0.0118761 0.00435092 0.00290114 9
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2570 154 H 38.9409 2.48864 14.7794 0.00349022 -0.0119715 -0.00908715 9
2571 155 H 40.0494 4.57582 12.8663 -0.0059502 0.00557665 -0.00227445 9
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2573 157 H 37.7711 2.57231 12.2506 -0.00200462 0.00362701 -0.00442507 9
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2584 168 H 37.4873 4.2437 5.58116 0.00522889 0.00439682 -0.0173158 9
2585 169 H 36.4574 2.7002 4.32599 -0.00309005 -0.0142793 -0.0109725 9
2586 170 H 37.5149 1.30259 4.76211 -0.00475298 -0.0040645 -0.00988387 9
2587 171 H 37.7606 1.77816 2.38586 0.00538266 0.00111024 -0.00258573 9
2588 172 H 39.2457 1.97537 3.24259 0.00149808 -0.00095341 -0.00182992 9
2589 173 H 39.1946 4.38144 3.02714 -0.0065845 0.00798536 -0.00262975 9
2590 174 H 37.48 4.40616 2.46116 -0.00645076 -0.0100864 9.90336e-05 9
2591 175 H 39.1213 4.74424 0.607478 0.00228393 -0.00200742 -0.00660376 9
2592 176 H 38.3132 3.17501 0.373308 -0.00491118 -0.00301006 0.0106975 9
2593 177 H 39.9333 3.2358 1.05094 0.00425855 -8.84152e-05 -0.000668892 9
2594 178 H 37.5094 1.0158 13.4019 0.0051079 -0.00381238 -0.0050723 9
2595 179 H 38.2018 0.659303 15.0015 -0.0109487 0.000157687 0.00759313 9
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2597 181 H 36.2281 -1.30101 13.8889 0.0075356 -0.0330435 -0.00940061 9
2598 182 H 39.1409 -0.987386 12.9714 -0.00311712 -0.000550295 0.0163818 9
2599 183 H 38.3445 -2.50816 12.9655 0.00465299 0.00215923 0.00600828 9
2600 184 H 36.6377 -1.44251 11.2698 0.0022253 0.00783005 -0.0128526 9
2601 185 H 37.7326 -0.0352515 11.1971 0.00503633 0.00126685 0.00888642 9
2602 186 H 39.564 -1.51839 10.4105 0.00244964 -0.00272632 -0.00869987 9
2603 187 H 38.6084 -2.9203 10.6844 -0.00278133 0.00315131 -0.00390283 9
2604 188 H 38.376 -2.83655 8.38663 0.000984594 0.00628703 -0.00823927 9
2605 189 H 36.9475 -1.91222 8.84202 0.00211118 0.0103869 0.0012035 9
2606 190 H 37.6792 0.0100884 8.02553 -0.00619887 -0.00103099 0.009893 9
2607 191 H 39.3609 -0.290204 8.6256 -0.00459464 -0.00267742 0.00703689 9
2608 192 H 39.3793 -0.0976771 6.18133 0.00427659 0.00382755 0.0100721 9
2609 193 H 39.7947 -1.75155 6.56806 0.0024551 -0.00149067 -0.00131803 9
2610 194 H 37.5155 -2.5607 6.05981 -0.0108271 -0.000453333 -0.00580903 9
2611 195 H 36.989 -0.91498 5.70712 -0.00158438 -0.000922051 -0.0159741 9
2612 196 H 39.0016 -0.863197 3.99023 -0.00214073 0.00712983 -0.00013899 9
2613 197 H 39.036 -2.58739 4.16737 0.00822289 0.00350474 0.0122503 9
2614 198 H 36.6368 -2.72271 3.31186 0.000817232 0.00360331 0.00247045 9
2615 199 H 36.6942 -0.940016 3.15081 0.000133394 0.00143009 -0.000606771 9
2616 200 H 38.5843 -1.17846 1.53505 -0.00654808 0.00917258 0.0110294 9
2617 201 H 38.5054 -2.94875 1.64556 -0.000259423 -0.00233539 0.0147908 9
2618 202 H 37.1653 -2.0214 0.9488 0.00294519 0.00364224 -0.00108046 9
2619 203 H 35.0988 3.56562 14.6388 0.00651756 -0.00386823 -0.0115892 9
2620 204 H 33.8673 4.84718 14.3269 -0.00150502 0.00706127 -0.00422233 9
2621 205 H 36.2155 4.22769 12.4705 0.00666681 0.00557832 0.00812919 9
2622 206 H 34.6019 3.55882 12.2612 0.00760354 -0.0013825 0.00487355 9
2623 207 H 34.0422 6.31841 12.5673 -0.00453441 0.00203464 -0.0146383 9
2624 208 H 35.5852 6.40739 11.8001 0.00528085 -0.00938293 0.00300711 9
2625 209 H 33.1027 4.89068 10.8659 0.0104294 -0.0148972 -0.00730235 9
2626 210 H 33.5734 6.47039 10.3191 0.00226444 -0.00378257 -0.00730209 9
2627 211 H 35.84 5.02319 9.5771 0.00215661 -0.0108756 -0.00247682 9
2628 212 H 34.578 3.77544 9.57732 -0.00656721 -0.0017146 0.0141941 9
2629 213 H 33.2151 5.50574 8.22887 0.000105105 0.0112383 -0.0216175 9
2630 214 H 34.6266 6.48595 8.03688 -0.00838597 0.00443431 0.000646757 9
2631 215 H 35.8552 4.69132 6.84317 -0.00180011 -0.00288893 -0.00910073 9
2632 216 H 34.4343 3.65548 6.91684 0.00250101 -0.00244983 -0.0131865 9
2633 217 H 33.0068 5.32052 5.78382 0.00144841 0.00338276 0.0128877 9
2634 218 H 34.3546 6.44446 5.64401 0.00366153 0.00301071 0.000863394 9
2635 219 H 35.6439 5.08443 4.26485 -0.00665435 0.0120452 0.00346268 9
2636 220 H 34.4265 3.76659 4.33028 0.00122862 0.00310452 0.00447355 9
2637 221 H 32.7455 5.71056 3.47591 0.00226542 0.0104142 -0.00536537 9
2638 222 H 34.2794 6.41554 2.89812 -0.0169486 0.0105843 -0.0143262 9
2639 223 H 33.0015 3.72393 2.10341 0.00625471 -0.00287826 0.00821678 9
2640 224 H 33.1967 5.18488 1.08922 -0.014837 -0.00278763 0.0112493 9
2641 225 H 35.4738 3.39152 2.19045 -0.00492545 0.00443239 0.0046915 9
2642 226 H 34.7301 3.36891 0.560107 -0.0195731 -0.000812096 0.00481527 9
2643 227 H 35.6782 4.76457 1.04137 -0.00794087 -0.00283162 -0.0100917 9
2644 228 H 27.0546 4.82152 32.9115 0.00385511 0.00215586 -0.00548587 9
2645 229 H 26.2196 3.35582 32.5427 0.0108297 -0.00757973 -0.0137762 9
2646 230 H 27.2979 2.37017 34.67 0.015539 0.00648943 0.00897382 9
2647 231 H 27.6339 3.99427 35.18 -0.000727251 -0.0144927 0.00828039 9
2648 232 H 24.9855 4.351 35.0062 0.00276109 0.00102008 -0.0064845 9
2649 233 H 24.8903 2.70091 34.6012 -0.000866096 0.0143363 -0.0127238 9
2650 234 H 24.4969 2.65833 36.8682 0.00101713 -0.00357401 -3.23904e-05 9
2651 235 H 26.1751 2.13325 36.7764 0.0169858 0.0151767 0.0171575 9
2652 236 H 26.9609 4.32974 37.5875 0.00430329 0.000303836 -0.0133124 9
2653 237 H 25.2689 4.91052 37.6496 0.00692808 0.00238335 -0.00753008 9
2654 238 H 24.7471 2.84739 39.1001 0.00211985 -0.00746889 -0.0030945 9
2655 239 H 26.4991 2.5186 39.1566 -0.0058811 0.00159453 0.00902417 9
2656 240 H 26.7447 4.80512 40.3277 -0.00340939 0.00393085 0.00215838 9
2657 241 H 24.9859 4.87483 40.3164 0.0101594 0.0149466 0.0235079 9
2658 242 H 24.7403 2.76956 41.5561 0.00339327 -0.00478218 0.0195135 9
2659 243 H 26.5161 2.55101 41.6201 6.59757e-05 -0.00589436 -0.00602413 9
2660 244 H 26.6531 4.62298 42.973 0.000660652 -0.0026027 -0.0128585 9
2661 245 H 24.8672 4.7668 42.9254 -0.00354934 0.0025012 -0.00223399 9
2662 246 H 24.7225 2.59559 44.0861 0.00548553 -0.00463354 -0.00204188 9
2663 247 H 26.5306 2.42831 43.9093 -0.000177244 -0.00350466 -0.0122714 9
2664 248 H 26.8034 4.27517 45.524 -0.000905666 0.00274464 0.00828528 9
2665 249 H 25.1109 4.57884 45.6211 0.000819639 0.00401782 0.00180031 9
2666 250 H 25.8759 3.42513 47.5486 -0.00342053 -0.0164139 0.011464 9
2667 251 H 24.7567 2.28795 46.6767 -0.00300387 -0.00304787 0.0071917 9
2668 252 H 26.5167 2.06432 46.6069 0.0106933 0.0108507 0.00650865 9
2669 253 H 34.1075 7.29367 33.275 -0.000506143 -0.000736648 -0.0040535 9
2670 254 H 32.4478 8.01738 33.214 0.0033042 -0.00144083 0.00138983 9
2671 255 H 31.9974 7.70859 35.5219 0.00333767 -0.00107904 0.00591007 9
2672 256 H 33.313 6.55589 35.7221 0.00974111 0.00521264 0.00417261 9
2673 257 H 34.9895 8.26049 35.2801 0.000486195 -0.00802968 0.00456091 9
2674 258 H 33.8337 9.4286 34.8456 0.00158404 -0.00392958 -0.0010246 9
2675 259 H 34.8317 9.77779 37.122 0.00354477 -0.00746465 -0.00556474 9
2676 260 H 33.0495 9.64563 37.2231 -0.00714611 -0.00901778 -0.00612078 9
2677 261 H 33.3429 7.31986 37.9485 -2.54178e-05 -0.00201338 0.00389457 9
2678 262 H 35.1795 7.58325 37.9927 -0.00130304 -0.0032735 -0.01214 9
2679 263 H 34.9731 9.12911 39.8546 -0.00277367 0.00533999 0.0075158 9
2680 264 H 33.2551 9.38235 39.563 0.00607609 0.00686955 0.0160676 9
2681 265 H 32.7604 7.04623 40.2795 -0.0052003 0.0132016 0.00613021 9
2682 266 H 34.4356 6.86884 40.8258 0.0027471 -0.00519458 -0.017869 9
2683 267 H 32.399 8.9861 41.8663 0.00448126 0.00704152 0.0119886 9
2684 268 H 32.6753 7.36174 42.5471 -0.00103034 -0.00181687 -0.00202102 9
2685 269 H 35.0487 7.97256 42.8914 -0.00584473 -0.000228268 -0.000125427 9
2686 270 H 34.7328 9.61867 42.3204 0.00884672 -0.00299575 0.00828525 9
2687 271 H 34.6972 9.76876 44.7669 0.00236371 -0.00352872 0.00186165 9
2688 272 H 33.017 9.78801 44.2919 0.00272837 -0.00296374 0.0185392 9
2689 273 H 32.6982 7.47491 44.9881 0.0050999 0.00225051 -0.0184025 9
2690 274 H 34.4382 7.20102 45.1766 -0.000401339 -0.00236464 0.00363789 9
2691 275 H 34.6643 8.68665 47.1057 -0.00424657 0.0022105 0.000304416 9
2692 276 H 33.0659 9.32929 46.9208 -0.000370554 0.00161058 0.00623207 9
2693 277 H 33.299 7.62328 47.4168 -0.00567485 -0.00695916 -0.0105822 9
2694 278 H 32.7612 -1.05458 33.779 0.00823247 -0.0111307 0.00587754 9
2695 279 H 34.0849 0.0018429 34.2014 0.0038443 0.00214474 0.00339959 9
2696 280 H 31.427 -0.455919 35.6538 0.00238947 -0.00597129 0.0161188 9
2697 281 H 32.4764 0.926712 36.0762 -0.00089405 0.00717034 -0.0100514 9
2698 282 H 34.3122 -0.825054 36.3247 -0.00296107 0.0135326 -0.00384364 9
2699 283 H 32.9796 -2.01362 36.4017 0.0083707 -0.000261433 7.57505e-05 9
2700 284 H 31.9531 -0.970997 38.3296 0.000533192 -0.0148089 -0.0100175 9
2701 285 H 32.9314 0.532515 38.1973 0.00212272 -0.000442248 1.89705e-05 9
2702 286 H 34.9039 -1.01843 38.5546 0.00400367 -0.0214178 0.0063152 9
2703 287 H 33.6938 -2.12466 39.3241 0.00879783 -0.00114413 0.0123582 9
2704 288 H 34.1203 0.832196 40.0094 0.00242693 0.00231472 0.00594191 9
2705 289 H 35.1092 -0.45363 40.7067 0.00454077 0.00731145 -0.00649306 9
2706 290 H 32.1086 -0.3731 41.0844 -0.00196205 -0.00862147 0.00698664 9
2707 291 H 33.257 0.388385 42.1706 0.0121383 0.00922097 -0.0161427 9
2708 292 H 34.4338 -2.00398 42.254 0.00334554 0.00227442 -0.00510891 9
2709 293 H 32.9163 -2.50476 41.5725 0.00660328 -0.00488274 0.00737617 9
2710 294 H 32.7955 -2.73122 43.9765 -0.00635253 -0.00160429 -0.00624152 9
2711 295 H 31.8854 -1.28062 43.7761 -0.000219836 0.00451673 -0.0183768 9
2712 296 H 33.6375 0.122691 44.5592 0.00384789 0.00221056 -0.00845573 9
2713 297 H 34.8697 -1.13826 44.2354 -0.000178122 0.00594797 0.00748367 9
2714 298 H 34.8986 -1.27714 46.4788 -0.00710988 -0.00345396 0.0163297 9
2715 299 H 33.5162 -2.38498 46.1601 0.00483345 -0.0034932 -0.00465548 9
2716 300 H 33.0468 0.558601 46.8787 0.00624494 -0.0035595 -0.00402851 9
2717 301 H 32.8458 -0.834491 47.9974 0.0062494 -0.00121146 0.003655 9
2718 302 H 31.8316 -0.771111 46.6116 0.00088783 -0.000949166 -0.00615425 9
2719 1 C 37.1795 13.5086 31.1097 -0.00367004 0.00167454 0.00558934 10
2720 2 C 37.265 13.39 29.7443 -7.39593e-05 -0.00324818 -7.49746e-05 10
2721 3 C 36.6438 12.3381 29.1204 0.00164979 0.000846831 7.96264e-05 10
2722 4 C 36.0296 11.3358 29.8792 -0.000865316 0.000598557 0.00492065 10
2723 5 C 35.9252 11.4061 31.3008 -0.00163045 -0.00348802 -0.00145557 10
2724 6 C 36.5176 12.5434 31.9095 0.00123494 -0.000303964 0.000784799 10
2725 7 C 31.3809 10.2564 30.8026 -0.00126538 0.00130505 -0.00138725 10
2726 8 C 31.5505 10.1761 29.4245 -0.000512364 -0.00242683 0.000312596 10
2727 9 C 32.8489 10.139 28.8799 0.00226084 -0.00123802 -0.00189662 10
2728 10 C 33.9691 10.1525 29.7145 -0.00255127 0.00216821 -0.00155001 10
2729 11 C 33.7712 10.2142 31.1199 -0.00210096 -0.00514809 0.00159739 10
2730 12 C 32.4786 10.2743 31.6912 0.00253819 0.000944673 0.00217555 10
2731 13 C 37.1487 6.80038 31.4461 0.00443207 -0.000575779 -0.00644755 10
2732 14 C 37.2773 6.82375 30.0618 0.00209042 -0.000208784 0.00591292 10
2733 15 C 36.699 7.82461 29.3174 -0.000656061 -0.00208051 0.00131005 10
2734 16 C 36.0695 8.91815 29.989 0.00240251 0.00412423 0.00435855 10
2735 17 C 35.4118 10.1143 29.2339 0.00122363 -0.000224422 0.00324043 10
2736 18 O 36.3593 7.67655 33.5398 0.0033233 -4.13605e-05 0.00206923 10
2737 19 O 32.237 10.416 33.041 0.00330249 0.00378325 -0.000920548 10
2738 20 O 36.4722 12.7502 33.2641 0.000793666 -0.000746281 0.00361231 10
2739 21 C 36.4838 7.8232 32.1452 0.000519465 -0.00289327 -0.00112173 10
2740 22 C 35.6491 10.0312 27.7853 0.000830633 0.000435825 -0.00236687 10
2741 23 C 36.1382 10.0518 26.6626 -0.00345618 0.00370242 0.00303134 10
2742 24 C 36.9553 10.0256 25.4889 0.000333368 -0.000556221 -0.00130992 10
2743 25 C 36.5715 9.34652 24.3527 -0.00202015 -0.00245328 -0.00299491 10
2744 26 C 37.3771 9.44246 23.2081 -0.00182256 -0.00161229 -0.000440012 10
2745 27 C 38.6261 10.0786 23.2297 0.00232271 -0.00124073 0.00170093 10
2746 28 C 39.0362 10.7211 24.422 0.00412858 0.00111763 -0.00335554 10
2747 29 C 38.1968 10.672 25.5254 -0.00257993 0.00283154 -0.00238888 10
2748 30 C 39.4039 10.1434 22.0605 0.00199566 -0.0038679 -0.00191284 10
2749 31 C 39.9207 10.1777 20.9517 -0.000686885 0.000858313 -0.00237623 10
2750 32 C 38.4629 6.95743 18.3627 -0.000443604 0.000335692 0.00324663 10
2751 33 C 38.6859 7.04729 16.99 -0.000696766 0.000799797 0.00283901 10
2752 34 C 39.5164 8.05439 16.4779 0.000785972 0.00156565 -0.00267377 10
2753 35 C 40.0352 8.9945 17.3465 -0.000666369 -0.0028702 -0.000248438 10
2754 36 C 39.7531 8.96216 18.733 -0.00720071 -0.0018057 -0.000538391 10
2755 37 C 38.989 7.90083 19.2361 -0.00256743 -0.00187424 0.00206982 10
2756 38 C 40.3216 10.1841 19.5331 0.0034839 -0.00196718 0.00280804 10
2757 39 C 44.2196 10.4141 19.7103 0.00202618 -0.000759837 0.00156591 10
2758 40 C 44.4878 10.3218 18.3004 -0.00292052 -0.00252482 -0.00115338 10
2759 41 C 43.4129 10.148 17.3875 0.00198779 0.00683978 0.00130857 10
2760 42 C 42.1055 10.1377 17.8515 0.000779295 -0.000304717 0.00080234 10
2761 43 C 41.8344 10.201 19.2388 0.000715408 -0.00305181 -0.000222873 10
2762 44 C 42.8927 10.3149 20.1766 -0.000706812 0.0043828 -0.00690984 10
2763 45 C 38.8233 13.6149 18.5218 -1.80106e-05 0.0031866 -0.00320955 10
2764 46 C 39.2577 13.6734 17.1881 0.00353923 -0.00530884 0.00217851 10
2765 47 C 39.8243 12.5584 16.607 -0.00603869 0.00237859 0.00706339 10
2766 48 C 40.1289 11.4475 17.4174 -0.00159484 -0.000890601 0.00296757 10
2767 49 C 40.8993 10.188 16.9541 0.00325566 -0.00129356 -0.000181689 10
2768 50 C 39.7749 11.4225 18.7803 -0.00168042 0.00171338 -0.000196836 10
2769 51 C 39.1095 12.5043 19.3527 -0.00105333 0.00223386 -0.0018901 10
2770 52 O 43.6113 10.0886 16.0025 -0.00301458 0.00287101 0.00613596 10
2771 53 O 39.7725 8.16004 15.1083 -0.00126839 0.00235209 -0.00474402 10
2772 54 O 40.0947 12.4514 15.2638 -0.00101297 -0.0010468 -0.00124229 10
2773 55 C 35.1474 10.2155 31.8865 -0.000361963 -0.0030271 -0.00244729 10
2774 56 C 35.9512 8.9334 31.4054 0.00136027 -0.00294426 -0.00205395 10
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2816 98 C 29.5387 10.0067 38.7219 0.00320843 0.000482805 0.000237632 10
2817 99 C 30.3924 9.57524 39.9503 0.00107413 -0.00133822 0.000915293 10
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2839 121 C 37.2115 5.4367 38.0111 -0.00205414 0.00225937 -2.06871e-05 10
2840 122 C 38.0047 6.54737 38.7628 -0.00177897 0.00490245 -0.00162049 10
2841 123 C 37.5456 6.73502 40.2448 -0.00336632 0.00168336 -0.00138186 10
2842 124 C 38.0014 5.59449 41.2044 -0.000197908 -0.000587489 0.00129834 10
2843 125 C 37.2282 5.41714 42.5067 -0.00352744 -0.00421689 -0.00268206 10
2844 126 C 37.804 6.2774 43.6328 -0.00132991 -0.00510249 -0.00157676 10
2845 127 C 37.045 5.99846 44.9363 -0.00423123 -0.0012898 0.0016888 10
2846 128 C 37.3696 6.97826 46.0665 -0.0030156 -0.000752525 0.000505805 10
2847 129 C 38.827 7.00538 46.5309 0.000462006 0.000832242 0.00264825 10
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2986 268 H 35.7927 16.1878 41.8056 -0.00269876 0.00514925 0.00574299 10
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2989 271 H 35.5721 15.3324 44.2747 -0.00253638 -0.00907439 -0.00556137 10
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2992 274 H 37.7731 16.55 44.6491 0.00913441 0.00128759 0.00476666 10
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2994 276 H 37.9304 16.4012 47.0166 0.000886321 -0.00437762 0.00426691 10
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2996 278 H 36.7378 5.6276 33.7861 0.0129503 -0.00153237 -0.000990606 10
2997 279 H 38.0861 6.61279 34.1093 -0.00015385 -0.0180078 -0.00120739 10
2998 280 H 35.6719 6.36628 35.906 -0.000639952 0.0138742 0.00942265 10
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3002 284 H 37.4893 4.46219 38.4313 0.0106736 0.00202666 -0.00894677 10
3003 285 H 36.132 5.60035 38.1177 -0.00444781 -0.000412533 -0.0197591 10
3004 286 H 37.806 7.51073 38.2772 0.00149223 0.00513126 -0.00249861 10
3005 287 H 39.0753 6.33835 38.6463 0.00205506 0.0091312 0.0263294 10
3006 288 H 36.4547 6.81919 40.1664 -0.00538818 -0.0165402 0.00734873 10
3007 289 H 37.9687 7.6635 40.6477 -0.00507042 3.82523e-05 0.00420079 10
3008 290 H 39.0505 5.80314 41.4476 -0.000473209 0.000136849 0.00186814 10
3009 291 H 37.9627 4.6216 40.699 -0.00253869 -0.00133082 0.0029076 10
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3011 293 H 36.1922 5.69662 42.2784 -0.00283966 0.00328743 0.00341576 10
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3022 2 C 41.3711 6.54625 29.7711 0.00098674 0.00198155 0.0029069 11
3023 3 C 40.9048 5.38457 29.122 0.0031848 0.00401068 0.00642868 11
3024 4 C 40.209 4.37334 29.7999 0.000724657 -0.0026801 -6.79153e-05 11
3025 5 C 39.9278 4.5018 31.176 0.00568916 -0.000715118 -0.000716001 11
3026 6 C 40.3798 5.67409 31.859 -0.00121307 0.00354654 -0.000642235 11
3027 7 C 35.4672 3.45427 30.3866 0.00309292 -0.000932504 0.00408604 11
3028 8 C 35.7806 3.42168 29.0074 -0.00211245 0.00401619 -0.00229455 11
3029 9 C 37.0603 3.34716 28.5293 -0.00439521 0.000936169 0.0019277 11
3030 10 C 38.0798 3.28873 29.4587 -0.000514758 0.000792666 -0.00141841 11
3031 11 C 37.8259 3.35924 30.87 -0.00214438 0.00367104 -0.00250935 11
3032 12 C 36.5113 3.47074 31.3641 -0.00442919 0.00302064 -0.00229003 11
3033 13 C 40.9452 -0.156007 31.4732 -0.00035763 -5.72685e-05 -0.00124774 11
3034 14 C 41.1925 -0.149379 30.1036 0.00876347 -0.00280069 0.00157062 11
3035 15 C 40.7537 0.903006 29.3111 0.007513 -0.000348196 0.0035264 11
3036 16 C 40.0647 1.96489 29.8778 -0.000860712 0.000159393 -0.00251397 11
3037 17 C 39.5745 3.17998 29.1114 0.000774511 -0.00235363 -0.00450769 11
3038 18 O 40.165 0.908477 33.4626 -0.00020886 0.00259739 -0.00237636 11
3039 19 O 36.2651 3.57679 32.7325 -0.000567886 -0.00242636 0.00291913 11
3040 20 O 40.1735 5.8476 33.2301 -0.00156499 -0.00267576 0.00209929 11
3041 21 C 40.2828 0.927489 32.0825 0.000490523 0.00277137 0.00242953 11
3042 22 C 39.9715 3.07123 27.6671 0.00164889 -0.000274289 0.000350658 11
3043 23 C 40.4785 3.06528 26.5589 -0.00792312 -0.00281811 -0.00120012 11
3044 24 C 41.255 3.19152 25.3772 -0.00299615 -0.00371712 0.000515887 11
3045 25 C 40.9782 4.26087 24.5203 -0.000130044 0.00450355 -0.000975581 11
3046 26 C 41.7916 4.43947 23.3961 0.00140596 -0.00106575 -0.00237977 11
3047 27 C 42.9121 3.61153 23.1661 -0.00145046 -0.00324203 0.00374837 11
3048 28 C 43.1814 2.55604 24.0547 -0.00170369 0.000992019 -0.00500262 11
3049 29 C 42.3758 2.37825 25.1879 0.00268778 0.00247738 0.00152314 11
3050 30 C 43.651 3.74997 21.9357 -0.000256573 0.00169385 -0.00080221 11
3051 31 C 44.1271 3.76411 20.8358 0.00316967 0.00103251 -0.0010733 11
3052 32 C 42.8636 0.134722 18.8565 -0.00151132 -0.000571033 -0.0040865 11
3053 33 C 43.1367 -0.024607 17.484 -0.00118633 -0.000534224 -0.00184158 11
3054 34 C 43.6621 1.01532 16.7087 0.00163932 -0.00115819 0.00312359 11
3055 35 C 43.9734 2.27373 17.3407 0.00183064 -0.00174281 -0.00334247 11
3056 36 C 43.7546 2.42561 18.7331 -0.000702628 0.00156767 0.0019999 11
3057 37 C 43.1967 1.34798 19.4751 0.00455485 -0.00391365 -0.000174719 11
3058 38 C 44.4139 3.68111 19.3497 0.000138225 -0.00312888 -0.00597608 11
3059 39 C 48.2476 3.41538 19.1077 -0.000796867 0.000488937 0.00203275 11
3060 40 C 48.4158 3.4285 17.7172 -0.000389958 -0.0042331 -0.00137357 11
3061 41 C 47.2762 3.47182 16.8859 -0.000207587 0.000299646 -0.00048852 11
3062 42 C 46.0024 3.43704 17.4416 0.00120204 -0.00213154 -0.00319767 11
3063 43 C 45.8576 3.59878 18.8564 -0.00345294 0.00166516 0.00197238 11
3064 44 C 46.9953 3.54215 19.6785 -0.00198248 0.00012866 0.00343152 11
3065 45 C 42.5191 6.8186 18.1641 -0.00367252 -0.000131798 0.00109796 11
3066 46 C 42.7675 6.76786 16.7864 -0.00124213 -0.000684264 2.73465e-06 11
3067 47 C 43.4885 5.68538 16.2497 0.0022341 0.00167445 -0.00211933 11
3068 48 C 43.9688 4.67251 17.1118 0.000240117 0.00296271 0.000347168 11
3069 49 C 44.7081 3.42062 16.6541 -0.00130302 0.000694987 0.000342183 11
3070 50 C 43.8036 4.82018 18.5131 -0.000810154 -0.00422353 -0.004287 11
3071 51 C 43.04 5.8574 19.0504 0.000488298 -0.00311581 0.0030082 11
3072 52 O 47.4102 3.69844 15.5468 0.00486109 -0.00175115 0.000414098 11
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3074 54 O 43.7502 5.58764 14.9056 -0.00175909 0.00277968 0.000965229 11
3075 55 C 39.1006 3.33004 31.7366 0.00259422 -0.00282666 -0.00104862 11
3076 56 C 39.8006 2.00746 31.2848 -0.00179517 -0.000729513 -0.00124177 11
3077 57 C 47.3744 2.65274 14.5579 -0.00121607 -0.00441503 0.000986129 11
3078 58 C 46.5098 3.17202 13.3509 -3.62699e-05 7.04374e-05 -0.0009957 11
3079 59 C 46.9909 2.67336 11.9749 0.00152048 -0.00501845 0.00670131 11
3080 60 C 46.1634 3.19986 10.7511 8.35812e-05 0.00217212 0.000769875 11
3081 61 C 46.9318 2.83042 9.49233 -0.00415653 -0.00356162 -0.00157175 11
3082 62 C 46.399 3.44086 8.1912 0.00186388 0.0009503 0.000280573 11
3083 63 C 47.1133 2.80146 6.99965 0.00330756 -0.000531026 0.000378562 11
3084 64 C 46.932 3.51806 5.65491 0.000643478 -0.00134249 -0.00106719 11
3085 65 C 45.6329 3.18674 4.94217 -0.000231685 0.00282646 0.00171172 11
3086 66 C 45.8045 2.77465 3.47393 0.00252875 -0.00213028 0.001496 11
3087 67 C 46.34 3.87981 2.56968 -0.000554595 0.000102547 -0.00401868 11
3088 68 C 46.4704 3.45595 1.08875 0.00593286 0.00181378 -0.000454631 11
3089 69 F 41.3619 5.37106 22.4773 0.000691603 -0.000608159 -0.000443744 11
3090 70 C 44.3347 -0.599916 14.9756 0.000958969 -0.000787138 0.00200916 11
3091 71 C 45.051 -0.544912 13.5987 -0.000713045 -0.00223777 0.00199778 11
3092 72 C 45.4227 -2.0276 13.2164 0.00378941 -0.00177732 -0.00231367 11
3093 73 C 46.0879 -2.30641 11.8338 -0.0028438 -0.00231456 0.00195439 11
3094 74 C 45.5807 -1.44732 10.6381 0.00484855 0.00291056 0.000778829 11
3095 75 C 46.2119 -1.85588 9.28885 0.00519958 2.49093e-05 9.97917e-05 11
3096 76 C 45.582 -1.05712 8.13428 0.000841661 0.00114432 -0.00300953 11
3097 77 C 45.997 -1.51968 6.70649 0.000466884 -0.000328911 -0.00204767 11
3098 78 C 45.2514 -0.686849 5.6196 0.000168471 -0.00257936 -0.00201578 11
3099 79 C 45.9388 -0.60762 4.25815 0.00276886 -0.000148385 -0.000894865 11
3100 80 C 46.0886 -1.96532 3.54801 0.000563826 0.0010325 0.00174844 11
3101 81 C 46.2466 -1.78637 2.0071 -0.00169833 0.0042557 -0.00493508 11
3102 82 C 42.6828 5.26898 14.0608 -0.000331524 -0.00125314 -0.00321289 11
3103 83 C 43.2797 5.02958 12.66 0.00448563 -3.54379e-05 0.00115616 11
3104 84 C 42.318 5.19738 11.4856 0.000794812 0.00115428 -0.00084366 11
3105 85 C 43.1402 5.36503 10.2431 -0.00259261 -0.000312857 0.000117304 11
3106 86 C 42.3893 5.15811 8.9289 0.0033871 0.000746798 -0.00649653 11
3107 87 C 41.7458 6.40004 8.32077 0.00223703 -0.0026199 0.00321773 11
3108 88 C 41.2824 6.22264 6.8752 -0.00175134 -0.0028056 0.00127947 11
3109 89 C 42.4961 6.26553 5.89338 -0.00152284 0.00071433 0.00309316 11
3110 90 C 41.9884 6.15587 4.45148 -0.00169524 0.00191047 -0.00123575 11
3111 91 C 43.1243 6.35798 3.42432 -0.00193623 -0.00508044 -0.0006481 11
3112 92 C 42.6744 6.57217 1.95516 0.00111071 0.00335822 0.0052113 11
3113 93 C 42.2053 5.23654 1.34687 -0.00131415 0.00335975 -0.00137369 11
3114 94 C 34.8754 3.56227 33.1764 -0.00239285 0.00078963 -0.00222649 11
3115 95 C 34.6225 4.0975 34.6004 0.00159305 0.0012621 0.00171774 11
3116 96 C 33.5035 3.27231 35.258 0.00146549 -0.00086445 -0.00127711 11
3117 97 C 32.9149 3.73857 36.6148 -0.0026767 -0.00434968 -0.000951514 11
3118 98 C 33.855 3.57201 37.8242 -0.000787223 -0.0016272 0.00331014 11
3119 99 C 33.1941 4.07813 39.1379 0.0023142 0.000998271 0.00209402 11
3120 100 C 33.9883 3.90961 40.4019 -0.00405746 -0.00159966 0.00114061 11
3121 101 C 33.1933 4.09402 41.6846 -0.00340843 0.00272282 -0.000392519 11
3122 102 C 33.9454 3.55248 42.934 0.00237386 0.00128818 -0.00201261 11
3123 103 C 33.2421 3.91897 44.2616 -0.00504134 0.00102601 0.00326661 11
3124 104 C 33.9519 3.54897 45.5555 0.000245069 0.0015383 -0.000280979 11
3125 105 C 33.2296 4.091 46.7507 -0.00339199 -0.00414227 0.00107328 11
3126 106 C 40.8878 6.96486 33.8481 0.000887578 -0.00304258 -0.000139759 11
3127 107 C 40.6674 7.15585 35.3694 0.00112696 -0.00157712 -0.00279428 11
3128 108 C 41.3334 8.46787 35.893 0.00457025 0.000480216 -0.00154973 11
3129 109 C 41.2467 8.56481 37.4419 0.00414391 -0.0031235 -0.00178307 11
3130 110 C 42.2434 7.73315 38.24 0.00370174 0.001561 0.00344549 11
3131 111 C 42.3205 8.02691 39.7395 -0.0013789 0.000659209 -0.00329091 11
3132 112 C 40.9604 7.91807 40.5 -0.000512475 -0.00522152 0.00354896 11
3133 113 C 41.0874 7.82163 42.0244 -0.00580402 0.00152537 -0.00284327 11
3134 114 C 41.8182 8.99857 42.6803 -0.00260964 -0.000418983 0.00504407 11
3135 115 C 41.6243 9.05019 44.2141 0.00193521 0.00101068 -0.00287141 11
3136 116 C 42.1818 7.89051 45.0482 0.00117186 -0.00352495 -0.00233158 11
3137 117 C 42.0908 8.05433 46.5909 -0.00338075 2.18556e-05 0.0011902 11
3138 118 C 40.1978 -0.328847 34.2488 -0.00426997 -0.00234072 0.00156498 11
3139 119 C 40.3333 0.0548027 35.7346 0.000213817 -0.00229515 -0.000620502 11
3140 120 C 40.7875 -1.02077 36.7293 0.00229804 -0.00145249 0.000928393 11
3141 121 C 40.9603 -0.366183 38.117 0.00162304 -0.00278414 0.00171613 11
3142 122 C 41.4464 -1.30025 39.1997 -0.00148441 -0.0025728 0.00103474 11
3143 123 C 41.6367 -0.55798 40.5248 0.00291215 0.00242651 -0.000683418 11
3144 124 C 41.9546 -1.37069 41.7976 -0.00398177 0.000832314 0.00161769 11
3145 125 C 41.4537 -0.587501 43.0097 -0.00191768 0.00128601 -0.00120635 11
3146 126 C 41.7993 -1.27093 44.3312 -0.00225098 0.00057693 0.000859264 11
3147 127 C 40.9592 -0.743664 45.4722 -0.00190285 -0.000881124 0.000227683 11
3148 128 C 41.3945 -1.29093 46.7991 0.0032253 -0.00234895 -0.000215735 11
3149 129 C 40.734 -0.600723 47.9888 0.00280889 -0.00552879 -0.00169048 11
3150 130 F 39.9494 5.13175 24.6893 0.00249321 -0.00151881 0.0031984 11
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3152 132 H 41.8872 7.34587 29.248 -0.000728161 0.00528098 0.00624706 11
3153 133 H 41.0195 5.3687 28.0422 -0.00357187 0.0068956 0.00566014 11
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3155 135 H 34.9804 3.50148 28.2775 -0.00914986 -0.00404428 0.00454266 11
3156 136 H 37.2572 3.48211 27.4699 0.0103383 -0.0109448 0.00317994 11
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3212 192 H 47.0676 -1.28106 6.68732 -0.00303057 0.0161407 0.00593741 11
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3214 194 H 44.2437 -1.10162 5.49343 -0.00289008 0.00409783 0.00048891 11
3215 195 H 45.1217 0.341156 5.97986 0.00142499 -0.00515133 0.00576694 11
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3217 197 H 46.8896 -0.0969151 4.45455 0.00911079 -0.0154918 0.00835025 11
3218 198 H 46.9522 -2.47749 3.99006 0.0112567 0.00968999 -0.00911087 11
3219 199 H 45.2 -2.57301 3.75892 0.00692126 -0.00581129 0.00880409 11
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3223 203 H 42.163 4.36837 14.4103 0.00652649 -0.00180547 0.00555627 11
3224 204 H 42.0203 6.14332 14.0664 -0.0106546 -0.00915109 0.00678103 11
3225 205 H 44.159 5.6735 12.535 0.00174286 0.00158952 -0.00969647 11
3226 206 H 43.6937 4.01394 12.6809 -0.00831071 -0.00508052 0.00976349 11
3227 207 H 41.7268 4.27727 11.4 0.00571062 -0.000993581 -0.0117445 11
3228 208 H 41.6679 6.05788 11.6864 -0.00269324 -0.00471187 0.0131373 11
3229 209 H 43.6086 6.35674 10.2675 0.009385 -0.00573376 -0.00919643 11
3230 210 H 43.9841 4.66543 10.2862 -0.00257602 0.000787784 0.0179756 11
3231 211 H 43.1225 4.76232 8.21528 -0.00836904 -0.00219536 -0.0169468 11
3232 212 H 41.6494 4.35526 9.03544 0.0093504 -0.00488136 -0.00733474 11
3233 213 H 40.9125 6.69641 8.96973 0.00819603 -0.00933126 0.0139532 11
3234 214 H 42.4657 7.22547 8.38288 -0.00965458 0.00862715 -0.00850195 11
3235 215 H 40.7073 5.29414 6.77203 -0.00620435 0.00242831 -0.0207768 11
3236 216 H 40.702 7.11951 6.62572 -0.00140781 -0.00649592 -0.0127659 11
3237 217 H 42.986 7.23534 6.04489 0.0121032 -0.00584336 0.000949281 11
3238 218 H 43.2555 5.4996 6.09385 -0.00218229 -0.00255779 -0.0069188 11
3239 219 H 41.4526 5.21563 4.2718 0.0136899 -0.00235683 -0.0248064 11
3240 220 H 41.2516 6.9463 4.26237 -0.0101065 -0.00884525 -0.0134909 11
3241 221 H 43.604 7.28534 3.76091 -0.00731871 -0.00392979 0.00388996 11
3242 222 H 43.884 5.5714 3.51064 0.0031261 -0.00100888 -0.00804935 11
3243 223 H 41.9187 7.3631 1.87352 -0.0121122 -0.0114429 -0.0156266 11
3244 224 H 43.5237 6.91973 1.35406 0.00223368 0.0108305 0.0111285 11
3245 225 H 41.8253 5.31004 0.320404 -0.00760064 -0.0013599 0.000601968 11
3246 226 H 43.0505 4.53727 1.35438 0.00516438 0.0111979 0.000471299 11
3247 227 H 41.3761 4.806 1.92176 0.00958492 -0.000607959 0.0113416 11
3248 228 H 34.2881 4.20414 32.5081 0.0214468 0.00962971 -0.0147093 11
3249 229 H 34.4693 2.54721 33.0862 -0.00990399 0.00440465 -0.00915302 11
3250 230 H 35.5275 4.063 35.2194 0.0113176 -0.00357035 -0.0127722 11
3251 231 H 34.3435 5.15839 34.6102 0.00994712 0.00342827 0.00590549 11
3252 232 H 32.6118 3.27765 34.6192 -0.00107471 -0.00745499 0.0022183 11
3253 233 H 33.9471 2.28316 35.4261 0.000118303 -4.97749e-05 0.00715861 11
3254 234 H 32.6342 4.79792 36.5661 -0.0212793 -0.00893173 0.00687784 11
3255 235 H 32.0057 3.15273 36.7978 0.00456047 -0.0172111 -0.00607799 11
3256 236 H 34.0609 2.50254 37.9556 -0.00259438 -0.00377553 -0.0113748 11
3257 237 H 34.7941 4.11414 37.6578 0.00180093 -0.00831295 -0.00381451 11
3258 238 H 32.9243 5.13729 39.0441 -0.00405654 -0.00155621 -0.00834452 11
3259 239 H 32.3043 3.44924 39.2648 -0.00285034 0.00660868 -0.00643509 11
3260 240 H 34.4219 2.90313 40.4515 0.00143422 0.000464357 -0.00515866 11
3261 241 H 34.827 4.61533 40.4467 0.00193118 -0.00895102 0.00497695 11
3262 242 H 33.059 5.17373 41.8246 -0.00184146 0.00468469 -0.0140103 11
3263 243 H 32.2118 3.61166 41.598 -0.00626995 0.00903853 -0.00315262 11
3264 244 H 33.9413 2.45847 42.8531 -0.0107153 0.00124666 -0.00102476 11
3265 245 H 34.9751 3.93049 42.9145 0.00114675 0.00444946 -0.00585569 11
3266 246 H 33.0942 5.00546 44.2944 0.00220578 0.0020529 0.00175022 11
3267 247 H 32.2237 3.52148 44.1702 0.000106128 -0.0118696 0.00217167 11
3268 248 H 33.9405 2.45357 45.6136 -0.00979902 0.00180586 0.00299797 11
3269 249 H 34.9794 3.93176 45.5209 0.00422892 -0.00900505 0.00158148 11
3270 250 H 33.8038 3.85194 47.6543 -0.00215074 -0.00220828 0.000797722 11
3271 251 H 33.1776 5.18146 46.6429 0.00611762 -0.00568087 -0.0193602 11
3272 252 H 32.2222 3.65985 46.8029 -0.00914878 0.00999975 0.00667928 11
3273 253 H 41.9583 6.868 33.6292 0.00210619 -0.00806166 0.0080712 11
3274 254 H 40.5232 7.88466 33.3744 -0.00726319 -0.000205514 0.0116501 11
3275 255 H 39.5799 7.20048 35.5068 0.00099958 0.00378499 -0.00554091 11
3276 256 H 41.08 6.28872 35.8997 0.0138757 -0.00398872 -0.0166214 11
3277 257 H 42.3849 8.43165 35.5827 0.00982043 0.00649687 0.0155683 11
3278 258 H 40.8938 9.37961 35.47 0.00123974 -0.00622828 -0.0124943 11
3279 259 H 41.4891 9.6116 37.6629 -0.0124594 0.00347623 -0.0147778 11
3280 260 H 40.2246 8.41946 37.8131 0.00431197 -0.00192088 -0.000843661 11
3281 261 H 41.9843 6.67762 38.0911 0.00112431 0.000893514 0.0126468 11
3282 262 H 43.2231 7.9698 37.8069 -0.00295688 -0.0122333 -0.0191425 11
3283 263 H 43.0547 7.3461 40.1875 0.00237272 0.004655 -0.0033653 11
3284 264 H 42.6835 9.04525 39.9255 0.001228 -0.000589904 -0.00153814 11
3285 265 H 40.2889 8.74655 40.2429 0.0213711 0.0108277 -0.00179081 11
3286 266 H 40.4404 7.02259 40.1379 -0.00340354 0.00247379 -0.0113662 11
3287 267 H 40.0682 7.67921 42.4041 -0.00217329 0.00539977 0.00829215 11
3288 268 H 41.6495 6.91633 42.285 -0.0162023 -0.00171097 0.00835214 11
3289 269 H 42.8758 8.91245 42.4022 -0.00408755 0.0133413 -0.00484755 11
3290 270 H 41.4818 9.9405 42.2297 -0.00752874 -0.00350579 0.00226604 11
3291 271 H 42.1466 9.94776 44.5675 -0.00393699 -0.00020764 0.0089072 11
3292 272 H 40.5557 9.19166 44.418 0.0040328 0.0123303 0.000290212 11
3293 273 H 41.6587 6.95618 44.8098 0.00069908 0.000425768 -0.0166762 11
3294 274 H 43.2347 7.76532 44.7668 -0.00202177 -0.0133504 -0.00991371 11
3295 275 H 41.1428 8.44402 46.9819 -0.00588781 -0.00677011 0.00185771 11
3296 276 H 42.3324 7.11498 47.1034 0.00218133 0.013947 0.0241145 11
3297 277 H 42.8437 8.75937 46.9644 -0.00864501 0.0107634 -0.00849965 11
3298 278 H 39.2842 -0.885251 34.0055 0.00418446 -0.0130691 -0.00566135 11
3299 279 H 41.0501 -0.980299 34.0197 0.00218435 0.0129515 -0.0178568 11
3300 280 H 39.3977 0.474768 36.124 0.00150417 -0.00402492 0.00436771 11
3301 281 H 41.1203 0.818741 35.7575 -0.0048641 0.00276875 0.00431585 11
3302 282 H 41.7413 -1.47513 36.4339 -0.00169141 -0.0156137 0.00977744 11
3303 283 H 40.0191 -1.80369 36.7222 -0.00114059 0.0019843 -0.0134126 11
3304 284 H 40.0082 0.0327015 38.4882 -7.88094e-05 -0.0160149 0.0115943 11
3305 285 H 41.6347 0.496297 38.0477 -0.000763045 -0.00163311 -0.00716204 11
3306 286 H 42.3858 -1.76824 38.8806 -0.00531708 -0.0139867 0.00645133 11
3307 287 H 40.7301 -2.12824 39.2688 -0.000871922 -0.00404635 -0.00995806 11
3308 288 H 40.6873 -0.0567665 40.7502 0.00395623 -0.000264716 0.00974475 11
3309 289 H 42.3585 0.254448 40.3751 0.000850847 0.00328877 -0.00597842 11
3310 290 H 43.0298 -1.55547 41.9127 -0.00228113 0.0139341 0.00671522 11
3311 291 H 41.4732 -2.35635 41.7873 0.00518014 -0.00357671 -0.0048737 11
3312 292 H 40.3618 -0.483191 42.9941 -0.00173864 0.00365345 0.0018045 11
3313 293 H 41.901 0.411415 42.9353 0.00672566 -0.00200854 0.00670335 11
3314 294 H 42.8434 -1.00171 44.533 0.00429606 -0.0182608 -0.00810152 11
3315 295 H 41.6752 -2.3565 44.2336 0.000421604 0.00112591 -0.00859576 11
3316 296 H 39.9056 -1.01688 45.3357 0.000499918 -0.0143985 0.00869657 11
3317 297 H 41.0079 0.352077 45.4919 0.00635186 -0.00123381 -0.000719207 11
3318 298 H 42.4737 -1.17017 46.9545 0.00292086 -0.00216405 0.00178004 11
3319 299 H 41.2499 -2.3761 46.8691 -0.0190151 0.00116406 0.00785576 11
3320 300 H 41.0588 -1.0748 48.9232 0.00361398 -0.00996854 -0.00421935 11
3321 301 H 39.6441 -0.719565 47.9529 0.00103352 0.00867273 0.00527887 11
3322 302 H 40.9793 0.467938 48.0239 0.00174368 -0.00514404 -0.00599374 11
3323 1 C 45.0716 13.3357 31.3172 0.00215791 0.000804225 -0.00284291 12
3324 2 C 45.236 13.2726 29.9393 0.00735784 0.000798911 -0.00168908 12
3325 3 C 44.6174 12.2523 29.2579 -0.00577475 -0.0023858 0.000476664 12
3326 4 C 43.9671 11.2302 29.9715 -0.00213235 -0.00242433 -0.000962132 12
3327 5 C 43.8182 11.2748 31.3648 0.00417109 0.000146494 0.000842032 12
3328 6 C 44.2832 12.4056 32.0615 -0.00125541 -0.00113158 0.000658012 12
3329 7 C 39.3204 10.1955 30.8309 -0.0022592 0.00206514 -0.00168829 12
3330 8 C 39.4751 10.1481 29.4356 0.00475201 0.00064343 0.00503126 12
3331 9 C 40.7365 10.0941 28.8592 -0.000858482 -0.000390642 -0.00121885 12
3332 10 C 41.8596 10.0506 29.6753 -0.00105766 -0.00150437 -0.000462451 12
3333 11 C 41.7233 10.098 31.1153 -0.000475495 -0.00210505 0.00117698 12
3334 12 C 40.434 10.1288 31.6837 0.00155984 0.00335785 0.00209006 12
3335 13 C 44.8739 6.61679 31.4143 0.00117964 -2.7869e-05 0.000844571 12
3336 14 C 45.0006 6.60394 30.0386 0.000383948 0.00125913 -0.00050451 12
3337 15 C 44.5054 7.68974 29.3492 -0.00333463 0.00035367 -0.00162266 12
3338 16 C 43.9 8.7791 29.9971 -0.000816095 0.00367866 0.0011878 12
3339 17 C 43.3419 10.0103 29.2703 0.000146818 -0.00180357 0.00224079 12
3340 18 O 44.1303 7.56881 33.5539 -0.00288233 -0.0039159 0.000912707 12
3341 19 O 40.3828 10.3339 33.0368 -0.00399174 0.00148599 0.00174821 12
3342 20 O 44.1039 12.6228 33.4303 -0.000448164 -3.80779e-05 -0.00271555 12
3343 21 C 44.2809 7.69697 32.1613 -0.00398448 0.000144013 -0.00107984 12
3344 22 C 43.576 9.9743 27.8543 -0.000377575 -0.00142512 0.00190346 12
3345 23 C 43.9555 10.0278 26.7124 0.00069149 0.00296826 2.44429e-05 12
3346 24 C 44.6511 10.0918 25.4523 -0.0022037 0.000712188 -0.00303809 12
3347 25 C 44.8637 11.3322 24.8504 0.00248961 -0.00287392 -0.00259314 12
3348 26 C 45.761 11.3866 23.7885 0.000149169 0.00169697 0.00160442 12
3349 27 C 46.4448 10.2409 23.3274 -0.00148097 0.000205623 0.000156325 12
3350 28 C 46.2114 9.00389 23.9403 0.000269733 -0.000973702 0.00297088 12
3351 29 C 45.3319 8.92369 25.0148 0.0017587 -0.000125073 -0.000401289 12
3352 30 C 47.297 10.2645 22.1769 -0.000792121 -0.00225727 0.0011208 12
3353 31 C 47.83 10.249 21.0989 0.00415623 -0.0013017 0.00186144 12
3354 32 C 46.4747 6.95102 18.7173 -0.00133386 0.00572798 -0.000323102 12
3355 33 C 46.7003 6.95471 17.3381 0.00156159 0.000737582 -0.00256995 12
3356 34 C 47.3787 8.01981 16.7321 0.0023048 0.000995804 0.00368668 12
3357 35 C 47.8226 9.1341 17.5284 0.000480348 0.00218671 0.00284849 12
3358 36 C 47.5562 9.13858 18.9206 0.00275619 -0.00332649 0.00161761 12
3359 37 C 46.8879 8.00019 19.5001 -0.000185985 -0.00257296 0.00127277 12
3360 38 C 48.2273 10.3237 19.7061 0.00319374 0.00157239 0.00246146 12
3361 39 C 52.1002 10.1292 19.5577 -0.00305095 0.00418129 0.00485129 12
3362 40 C 52.2773 10.1317 18.1561 0.00330491 0.00669629 -0.00271388 12
3363 41 C 51.1434 10.2021 17.3066 0.00193429 -0.000768268 -0.00247328 12
3364 42 C 49.8623 10.3009 17.89 0.000565599 0.00258507 -0.00115159 12
3365 43 C 49.708 10.2665 19.2739 -0.000593571 0.00199381 -0.000452428 12
3366 44 C 50.8246 10.2427 20.1218 0.00196816 -0.00291379 0.000919085 12
3367 45 C 46.6787 13.7605 18.8643 -0.00184309 0.00526462 -0.00031168 12
3368 46 C 46.9319 13.7638 17.4701 0.00091854 -0.00217145 0.00218758 12
3369 47 C 47.5301 12.7055 16.8025 0.00154272 -0.00161127 0.0027869 12
3370 48 C 47.8684 11.5805 17.559 -0.00027517 -0.00522641 0.00135201 12
3371 49 C 48.5998 10.3716 17.048 0.00111958 0.00420485 -0.00274278 12
3372 50 C 47.6852 11.5706 18.9814 0.00292031 -0.00491264 0.0044918 12
3373 51 C 47.0873 12.673 19.619 -0.00355867 0.0015505 0.00097568 12
3374 52 O 51.2886 10.2361 15.9178 0.00241388 -0.00370186 0.00436736 12
3375 53 O 47.557 8.03702 15.3974 0.0022941 0.00154004 -0.00367021 12
3376 54 O 47.5892 12.6981 15.4241 -0.00158883 -0.000921402 0.00153397 12
3377 55 C 43.0374 10.0625 31.9149 -0.0047425 0.00479731 0.00327991 12
3378 56 C 43.7905 8.79411 31.4106 0.0032971 0.00314445 0.00107136 12
3379 57 C 52.237 9.46129 15.1665 0.000971476 3.3448e-05 0.00170362 12
3380 58 C 51.9211 9.52151 13.6468 -0.00139181 0.00391195 0.00133868 12
3381 59 C 50.446 9.90615 13.3381 0.00209998 -0.000256119 -0.000249893 12
3382 60 C 49.9722 9.54112 11.931 -0.00252648 0.00208004 -0.00197292 12
3383 61 C 50.6542 10.1289 10.7043 -0.00178003 0.00691679 -0.00643724 12
3384 62 C 49.9749 9.581 9.43653 -0.00246592 0.000682444 0.00319367 12
3385 63 C 50.6634 10.0149 8.15845 -0.00318029 0.00345793 0.00317689 12
3386 64 C 49.9242 9.5076 6.8864 -0.00162635 0.000652739 0.00396115 12
3387 65 C 50.6442 9.75127 5.59077 0.000144492 0.0023011 0.00393745 12
3388 66 C 49.7842 9.46548 4.34402 0.00218074 -0.000273315 -0.00027044 12
3389 67 C 50.5095 9.56438 2.98275 0.00476892 -0.00113259 -0.00406594 12
3390 68 C 49.6422 9.53786 1.72584 0.00217788 0.00189046 0.00175442 12
3391 69 F 45.9163 12.5614 23.129 -0.002855 -0.0034521 -0.00374807 12
3392 70 C 47.1076 6.99433 14.5025 -0.00310732 -0.000540455 0.00387243 12
3393 71 C 47.6118 7.49939 13.1148 -0.00125158 -0.00125152 0.000365625 12
3394 72 C 46.9274 6.76758 11.9216 0.000223722 -0.00422986 0.00391608 12
3395 73 C 47.2273 7.43001 10.5716 -0.000540074 -0.000595382 0.000448176 12
3396 74 C 46.2109 7.07505 9.46416 -0.00109234 -0.00032777 0.00341954 12
3397 75 C 46.7623 7.49761 8.03213 0.0013433 -0.00360773 0.00181801 12
3398 76 C 45.6759 7.18288 6.96843 0.00470464 0.00350773 0.00373784 12
3399 77 C 46.1859 7.28733 5.52017 0.00350423 0.000940571 0.00319521 12
3400 78 C 46.2163 8.70061 4.88813 -0.00138673 -0.000501 0.000851325 12
3401 79 C 46.073 8.795 3.3182 -0.00417964 0.00139463 -0.000428826 12
3402 80 C 46.77 7.70209 2.49305 -0.00115906 -0.00491196 0.000994958 12
3403 81 C 46.6127 7.85843 0.965305 -0.00199475 0.00814024 0.00325578 12
3404 82 C 48.8112 13.0869 14.7064 0.00308028 0.00174861 0.000911691 12
3405 83 C 48.5646 13.0175 13.1861 -0.00123504 6.69634e-05 -0.00143019 12
3406 84 C 49.6546 13.4647 12.2068 0.00182929 0.00129043 0.00361504 12
3407 85 C 49.2172 13.4861 10.7389 -0.00097701 -0.000861404 0.00222122 12
3408 86 C 50.3461 13.9683 9.81845 -0.00331009 0.000739631 -0.00354631 12
3409 87 C 49.9183 14.4775 8.42777 0.00214964 -0.000582724 0.00269709 12
3410 88 C 50.056 13.5597 7.18751 -0.00152562 -0.000880354 0.00385663 12
3411 89 C 49.9609 14.2587 5.83182 0.00179368 0.000368084 -0.00112641 12
3412 90 C 50.1492 13.3761 4.57578 0.000801176 -0.00021108 -0.00117161 12
3413 91 C 50.0769 14.1232 3.24739 0.000814053 0.00166585 -0.00316126 12
3414 92 C 50.344 13.2086 2.01315 -0.00110332 2.64436e-05 -0.00343497 12
3415 93 C 50.2054 13.9647 0.702293 0.00225866 0.00349504 0.000423361 12
3416 94 C 39.2807 10.9955 33.6691 0.000792612 -4.08761e-05 0.00300003 12
3417 95 C 38.2193 9.95923 34.0764 0.000146711 0.00265805 0.000297494 12
3418 96 C 37.4237 10.3721 35.3121 -0.00166497 -0.000518062 0.00454704 12
3419 97 C 38.2115 10.1405 36.6057 0.0019121 0.000982191 -0.00254028 12
3420 98 C 37.6347 10.9734 37.7584 -0.00370205 -0.00164554 0.000922146 12
3421 99 C 37.881 10.3267 39.1467 -0.00289524 -0.00178481 -0.000282023 12
3422 100 C 37.491 11.1364 40.3575 -0.00148699 -0.000873648 0.00176539 12
3423 101 C 37.5895 10.3372 41.7014 0.00108517 0.00169392 6.51143e-05 12
3424 102 C 37.2919 11.1379 42.9737 0.000600923 0.00133174 0.00443339 12
3425 103 C 37.5186 10.3958 44.3079 0.000566867 0.000447285 0.00600879 12
3426 104 C 37.3693 11.3104 45.5679 0.00146075 0.00191904 -0.0016857 12
3427 105 C 37.7272 10.6346 46.8946 0.000202846 0.00207946 -0.00249542 12
3428 106 C 45.0265 13.5404 34.0783 0.00354129 0.0023654 0.00204889 12
3429 107 C 44.7355 13.8131 35.5669 0.00185864 0.00216912 0.00314662 12
3430 108 C 45.8518 14.624 36.2596 0.00112726 0.00101346 0.000572106 12
3431 109 C 46.1602 14.2647 37.7491 -0.00240739 -0.00144503 -0.00419313 12
3432 110 C 45.2224 14.8645 38.7889 0.00128002 -0.00120333 0.00350793 12
3433 111 C 45.624 14.4792 40.2508 -0.00163121 -0.00432673 -0.00307754 12
3434 112 C 44.673 15.1537 41.2752 0.00131154 -0.00112419 0.00327143 12
3435 113 C 45.1824 15.2766 42.7076 0.0030252 0.000418976 -0.00108147 12
3436 114 C 45.3229 13.9148 43.4145 -0.000707429 -0.00264664 0.00116732 12
3437 115 C 45.0415 13.9497 44.9547 9.53615e-05 -0.00221919 -0.00390137 12
3438 116 C 46.0876 14.6091 45.8898 0.0031051 -0.00558557 -0.00639452 12
3439 117 C 46.1927 16.1053 45.6994 0.00451146 0.0023305 -0.000606367 12
3440 118 C 45.0757 6.73643 34.3271 0.00209849 0.0036097 0.00262763 12
3441 119 C 44.6645 6.62335 35.8474 -0.00182636 0.002411 0.00429291 12
3442 120 C 45.1453 5.32624 36.5721 -5.96813e-05 -0.00182549 0.00135642 12
3443 121 C 45.2061 5.60827 38.0451 -0.00152212 0.00198503 -0.00198843 12
3444 122 C 45.6615 4.38513 38.8735 0.00248416 0.00189484 -0.00525344 12
3445 123 C 46.6427 4.73338 40.0332 4.79254e-05 -0.00301962 -0.000378309 12
3446 124 C 46.0622 5.57152 41.1424 -0.00307774 0.000147202 0.00249059 12
3447 125 C 44.7782 5.06139 41.8687 0.00119253 -0.00307101 0.000754316 12
3448 126 C 44.3957 5.962 43.0392 0.00421179 -0.00263712 -0.00239431 12
3449 127 C 45.4349 6.01988 44.1509 -0.00268438 0.00312422 0.00166272 12
3450 128 C 45.2697 4.93012 45.2713 -0.00554373 -0.00141107 -0.00202645 12
3451 129 C 44.2947 5.37507 46.3735 -0.00176061 0.00535414 0.00636159 12
3452 130 F 44.2129 12.4347 25.2645 -0.00206315 -0.00204396 0.00272687 12
3453 131 H 45.6317 14.141 31.7833 -0.0129252 0.0111007 -0.00258051 12
3454 132 H 45.803 14.0306 29.4069 -0.0106291 0.011148 -0.00612265 12
3455 133 H 44.7433 12.2619 28.1793 0.0131882 -0.00131299 0.00268064 12
3456 134 H 38.3201 10.2577 31.2491 -0.0101974 -0.00592456 -0.0194977 12
3457 135 H 38.5994 10.1462 28.7931 0.00321516 -0.00445841 0.00713852 12
3458 136 H 40.7583 10.067 27.7738 0.00853488 0.0180782 -0.00146639 12
3459 137 H 45.266 5.75162 31.9407 0.00247791 0.000748649 0.00115271 12
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3461 139 H 44.5366 7.65934 28.2641 -0.0105538 -0.0123678 -0.00148127 12
3462 140 H 46.6496 8.10648 23.5136 0.000534534 0.0060428 -0.0115638 12
3463 141 H 45.1456 7.95759 25.4745 -0.00306967 0.00375453 0.00578534 12
3464 142 H 46.0434 6.07046 19.1843 0.00590684 0.00417219 0.00344339 12
3465 143 H 46.3737 6.08599 16.7741 0.00624601 -0.00102857 -0.00256354 12
3466 144 H 46.6878 7.94591 20.5661 -0.00263409 0.00517401 0.00121419 12
3467 145 H 53.0065 10.0685 20.153 -0.00159462 0.0091755 0.00315249 12
3468 146 H 53.2551 10.1906 17.6873 0.00225333 -0.00537041 -0.00639748 12
3469 147 H 50.6752 10.1874 21.1961 -0.0142644 -0.0083429 -0.00159605 12
3470 148 H 46.0533 14.5253 19.3152 -0.00358651 -0.0050138 0.0147014 12
3471 149 H 46.5473 14.5688 16.8508 0.00614689 0.00672434 0.0105257 12
3472 150 H 48.7637 10.314 15.9649 0.00644906 0.00160095 -0.0018029 12
3473 151 H 46.8027 12.6671 20.6671 -0.00644318 -0.00335957 0.000167998 12
3474 152 H 42.8659 10.0516 32.9983 -0.00315757 -0.00310339 0.0034568 12
3475 153 H 53.2713 9.77358 15.3565 0.00322207 -0.00259915 -0.00619345 12
3476 154 H 52.2078 8.41614 15.4985 0.0080869 -0.000666981 0.000153484 12
3477 155 H 52.1146 8.53158 13.2155 0.00466991 0.00681505 -0.00264009 12
3478 156 H 52.6973 10.1218 13.1563 -0.00287722 -0.0061168 -0.0133106 12
3479 157 H 50.3317 10.9806 13.5275 0.00141002 -0.00232864 0.0111005 12
3480 158 H 49.7652 9.35879 14.0017 0.00370897 -0.00725628 -0.00436016 12
3481 159 H 48.9192 9.83511 11.8406 -0.00222306 0.00438113 0.00198857 12
3482 160 H 50.0646 8.45003 11.8647 0.00442935 0.00269569 -0.00250496 12
3483 161 H 51.7136 9.84509 10.683 -0.00538266 -0.00847313 0.0205558 12
3484 162 H 50.5995 11.2232 10.7594 -0.0149349 0.00592914 0.000277549 12
3485 163 H 48.9298 9.91324 9.46335 -0.0084071 -0.0188206 0.0143555 12
3486 164 H 49.9263 8.48514 9.4247 -0.0168134 0.0013684 -0.00334831 12
3487 165 H 51.6779 9.59732 8.15337 -0.00205887 0.00627109 -0.00575806 12
3488 166 H 50.7942 11.1033 8.11724 0.00687267 0.00193904 -0.00552325 12
3489 167 H 48.9132 9.92985 6.83028 0.00115952 0.00813923 0.0101841 12
3490 168 H 49.7781 8.42684 7.00493 0.00874788 -0.00109834 0.000741891 12
3491 169 H 51.5501 9.13419 5.54636 0.000959087 0.00267558 0.015634 12
3492 170 H 50.9056 10.8166 5.60077 -0.00610668 0.00392016 -0.00484326 12
3493 171 H 48.9691 10.1967 4.27816 -0.00571378 -0.0109018 -0.0211305 12
3494 172 H 49.3238 8.47337 4.42846 0.00749541 -0.00245028 0.00308201 12
3495 173 H 51.2515 8.7592 2.91548 0.0057692 -0.00077912 0.0027132 12
3496 174 H 51.0202 10.5348 3.01166 0.00611198 -0.00155851 -0.0139377 12
3497 175 H 48.6625 10.0149 1.85269 -0.00312333 -0.00774079 -0.00281497 12
3498 176 H 49.424 8.54071 1.32393 0.000862794 -0.00169539 0.0114142 12
3499 177 H 50.0947 10.0986 0.898671 -0.00246982 -0.00599137 -0.00614821 12
3500 178 H 47.5844 6.03114 14.7224 0.0185122 0.00477882 -0.0195598 12
3501 179 H 46.0208 6.87794 14.5957 -0.00398572 0.00250749 -0.00267093 12
3502 180 H 47.4011 8.57566 13.0897 0.0118163 0.00138512 0.0042796 12
3503 181 H 48.6928 7.31421 13.0896 0.000424552 0.010618 -0.0131887 12
3504 182 H 47.2354 5.71538 11.9596 0.00292907 -0.00415443 -0.017137 12
3505 183 H 45.8432 6.78995 12.0871 -0.00135737 -0.00457085 -0.00643961 12
3506 184 H 47.2147 8.52564 10.625 0.00407891 -0.00132459 0.0158236 12
3507 185 H 48.228 7.10096 10.2654 0.00401016 0.0115432 0.00230872 12
3508 186 H 45.9162 6.02167 9.54721 -0.0172839 0.00381097 -0.0014986 12
3509 187 H 45.2868 7.64623 9.61647 -0.0127708 -0.019784 0.00548862 12
3510 188 H 47.0648 8.55053 7.97518 0.00183254 -0.00369346 0.00283968 12
3511 189 H 47.6508 6.90802 7.77457 0.00105824 -0.00479067 0.0035465 12
3512 190 H 45.2871 6.16854 7.12119 -0.0112351 0.00833603 -0.00486084 12
3513 191 H 44.8861 7.93368 7.09467 -0.00500392 -0.00793993 0.0107416 12
3514 192 H 47.1507 6.78289 5.38572 0.00698569 0.00709125 0.00519755 12
3515 193 H 45.5074 6.65341 4.93608 0.00773921 0.00261066 -0.00353726 12
3516 194 H 45.3727 9.25244 5.32088 -0.00431698 -0.00679584 0.00318207 12
3517 195 H 47.1232 9.20206 5.2479 -0.00529854 0.0136691 -0.00907205 12
3518 196 H 45.0082 8.75424 3.05739 -0.00272164 -0.0125777 -0.00419858 12
3519 197 H 46.3937 9.79082 2.98816 0.0156572 -0.00767811 -0.00845575 12
3520 198 H 47.8419 7.73618 2.72385 -0.00221993 -0.00787557 0.0063584 12
3521 199 H 46.4607 6.70325 2.82477 -0.0108596 0.0035791 0.0175089 12
3522 200 H 47.2263 7.11319 0.444213 0.00760279 0.00822265 0.0144107 12
3523 201 H 45.5615 7.77031 0.664412 -0.00168404 -0.0134822 0.00863281 12
3524 202 H 46.877 8.89581 0.725736 -0.00223002 0.00783126 0.00167285 12
3525 203 H 49.1657 14.0919 14.9664 0.000193663 0.00520592 -0.00848856 12
3526 204 H 49.5781 12.3426 14.9542 0.00508394 0.00379801 0.000857501 12
3527 205 H 48.2252 12.0167 12.8915 0.000850458 -0.00327369 0.0075367 12
3528 206 H 47.7638 13.7429 12.9966 0.000716156 0.00638766 0.0144734 12
3529 207 H 50.0005 14.4652 12.4945 0.000346281 0.00126895 0.00546652 12
3530 208 H 50.5503 12.8458 12.3415 -0.00202089 -0.00613466 -0.00519979 12
3531 209 H 48.8613 12.5063 10.3973 0.0161449 -0.009456 0.00898556 12
3532 210 H 48.3879 14.2039 10.7219 -0.00490149 -0.00546709 -0.000291809 12
3533 211 H 50.843 14.811 10.3147 0.00464636 -0.0135716 0.0127825 12
3534 212 H 51.0892 13.164 9.7528 -0.00958993 -0.00500887 -0.00419171 12
3535 213 H 48.9207 14.9308 8.48001 -0.00419881 -0.0124957 -0.0156567 12
3536 214 H 50.5333 15.3681 8.24882 -0.00634412 0.00342826 -0.00658802 12
3537 215 H 51.0302 13.066 7.29084 -0.00339301 -0.00245941 0.0141373 12
3538 216 H 49.3028 12.7631 7.22839 -0.00158286 -0.000996389 0.000538228 12
3539 217 H 48.9679 14.7248 5.81888 -0.00978101 -0.0241789 0.00315818 12
3540 218 H 50.653 15.1081 5.77756 0.000605275 0.000834049 -0.00913299 12
3541 219 H 51.123 12.8764 4.64973 0.000497261 0.000757099 0.00944993 12
3542 220 H 49.3668 12.6071 4.5786 0.00787916 -0.00744746 -0.0142129 12
3543 221 H 49.0846 14.5882 3.19648 0.00777702 0.0160141 -0.00733127 12
3544 222 H 50.8681 14.8828 3.2648 0.00418204 -0.00221334 0.0137645 12
3545 223 H 51.3499 12.7715 1.99526 -0.00126637 -0.000741178 0.00737822 12
3546 224 H 49.6581 12.3525 2.01361 -0.00938575 0.00666926 -0.012202 12
3547 225 H 50.9399 14.7699 0.577438 0.000233338 0.00628796 0.00660273 12
3548 226 H 50.3196 13.3058 -0.167288 0.014206 0.00039067 0.00436364 12
3549 227 H 49.1951 14.381 0.605236 0.00297289 0.00253568 -0.0112612 12
3550 228 H 39.6505 11.4113 34.6145 -0.00517986 0.00946829 0.00114827 12
3551 229 H 38.8555 11.8101 33.0698 -0.0045615 0.00484297 0.0134211 12
3552 230 H 37.514 9.91196 33.2375 0.00941186 0.00405806 -0.00757565 12
3553 231 H 38.6552 8.96066 34.2041 0.00208235 0.00286929 -0.00464369 12
3554 232 H 37.0622 11.4065 35.2592 0.00134044 -0.000237196 -0.0100475 12
3555 233 H 36.5299 9.74653 35.4262 0.00913242 -0.0168484 -0.000359739 12
3556 234 H 38.2173 9.074 36.8624 0.0154573 0.00120972 -0.00193348 12
3557 235 H 39.2486 10.4819 36.4992 -0.00120416 0.0100182 -0.00404053 12
3558 236 H 38.1775 11.9247 37.6974 -0.0133841 0.00296878 -0.0133519 12
3559 237 H 36.5675 11.1572 37.5828 -0.00222212 0.00664038 0.000612298 12
3560 238 H 37.364 9.35998 39.1858 -0.00889906 0.00171585 0.0068673 12
3561 239 H 38.9677 10.2286 39.2607 -0.00261306 -0.00425176 -0.00518836 12
3562 240 H 38.0709 12.0645 40.4325 0.00936341 -0.00932257 0.0224199 12
3563 241 H 36.4475 11.4176 40.1693 0.00198081 0.00855669 -0.00338198 12
3564 242 H 36.8833 9.49989 41.6421 -0.00182494 0.00402917 0.00171889 12
3565 243 H 38.5931 9.91603 41.8385 0.00354426 0.00440338 -0.00971334 12
3566 244 H 37.9635 12.0015 42.8921 -0.0114145 0.00981752 -0.00484821 12
3567 245 H 36.2656 11.5199 42.9083 -0.00301188 -0.0110822 -0.011553 12
3568 246 H 36.8877 9.49839 44.3207 -0.00126546 0.00177477 0.0081602 12
3569 247 H 38.5231 9.95559 44.2843 -0.00127038 -0.00372636 0.00536676 12
3570 248 H 37.9217 12.2464 45.4194 0.00538556 -0.000927966 -0.0049871 12
3571 249 H 36.3273 11.6534 45.5753 -0.000352562 -0.00377059 0.00447613 12
3572 250 H 38.7178 10.1677 46.8295 0.0021742 0.00696016 -0.00746483 12
3573 251 H 37.752 11.3572 47.7197 0.0147369 0.00252726 -0.0033134 12
3574 252 H 37.0199 9.82278 47.1044 0.00940829 -0.0038642 0.00556265 12
3575 253 H 46.0148 13.0786 33.9623 0.000619424 -0.00392423 0.00205265 12
3576 254 H 45.0078 14.539 33.6247 -0.00495216 0.000607883 -0.00147971 12
3577 255 H 43.7769 14.3278 35.707 -0.00211715 -0.00730775 0.0106689 12
3578 256 H 44.7236 12.8539 36.099 -0.00923902 -0.0080116 -0.0155311 12
3579 257 H 46.7548 14.3685 35.6915 0.00326787 0.00171106 0.00366792 12
3580 258 H 45.6256 15.6879 36.1169 0.00735708 0.0020643 -0.00142625 12
3581 259 H 46.1944 13.1712 37.8299 -0.00668863 -0.00103126 0.00307744 12
3582 260 H 47.183 14.6053 37.9523 -0.000849047 -0.00606369 -0.00428485 12
3583 261 H 45.2078 15.9533 38.6554 0.0136283 -0.00101254 0.0037047 12
3584 262 H 44.2113 14.4846 38.5972 0.000928673 -0.00108504 0.00512632 12
3585 263 H 45.6325 13.3908 40.3882 -0.0058467 -0.00412397 -0.00124027 12
3586 264 H 46.6589 14.7912 40.4384 -0.00487356 0.00705487 -0.00417467 12
3587 265 H 44.4059 16.1518 40.9065 -0.0101079 0.000300061 0.0154291 12
3588 266 H 43.7521 14.5575 41.2758 0.0017636 -0.00183509 -0.000859988 12
3589 267 H 46.083 15.8922 42.8229 -0.000383627 0.00273303 0.0135489 12
3590 268 H 44.4079 15.8226 43.2602 0.00151546 -0.00426397 0.0014387 12
3591 269 H 44.6769 13.1753 42.9254 -0.0102059 0.0114843 -0.00764629 12
3592 270 H 46.3527 13.5431 43.3457 -0.000483039 -0.00353822 0.00903457 12
3593 271 H 44.0646 14.4171 45.1301 0.00280071 0.00347035 -0.00397916 12
3594 272 H 44.9501 12.8995 45.2582 -0.00067903 -0.0057627 -0.0163519 12
3595 273 H 45.8169 14.3937 46.9308 0.00889108 0.00155861 -0.003414 12
3596 274 H 47.0399 14.0944 45.712 0.00419745 -0.00176775 -0.0115643 12
3597 275 H 45.2344 16.6181 45.5512 -0.000680926 -0.00230331 0.0172013 12
3598 276 H 46.6945 16.5528 46.5663 0.00180507 -0.00480172 0.00463869 12
3599 277 H 46.7667 16.359 44.7996 -0.00430984 -0.00305026 -0.00776196 12
3600 278 H 45.2153 5.72313 33.9307 0.00306947 7.75549e-05 0.0119852 12
3601 279 H 46.0806 7.17046 34.2549 0.00950974 -0.0126824 0.00747946 12
3602 280 H 43.568 6.626 35.8795 -0.00188178 0.00104507 0.00266618 12
3603 281 H 45.0892 7.46118 36.414 -0.00336355 -0.000627727 0.00993899 12
3604 282 H 46.1388 5.01602 36.2255 0.00597347 0.00184069 0.0153653 12
3605 283 H 44.4879 4.46228 36.4142 -0.00835969 0.00360497 0.00616874 12
3606 284 H 44.2505 5.98159 38.4334 -0.00154879 -0.0150175 0.0142909 12
3607 285 H 45.9215 6.41475 38.2483 -0.00149197 0.00484884 -0.0135753 12
3608 286 H 46.1629 3.71754 38.162 -0.00518974 0.00306309 -0.0117784 12
3609 287 H 44.7952 3.83471 39.2608 0.00289045 0.00364192 -0.00186679 12
3610 288 H 47.4666 5.33398 39.6283 -0.00503048 6.53528e-05 -0.0061471 12
3611 289 H 47.0811 3.82896 40.4728 0.00751512 0.00119587 0.000851228 12
3612 290 H 45.9452 6.58683 40.7438 -0.0105898 -0.00252942 -0.00207008 12
3613 291 H 46.8942 5.69865 41.846 -0.00424127 -0.00617414 0.004996 12
3614 292 H 44.9962 4.0634 42.2685 0.00444434 -0.0069144 -0.0105738 12
3615 293 H 43.9227 4.90509 41.2 -0.00232308 0.0127643 0.0015976 12
3616 294 H 43.4457 5.68635 43.5134 0.00535867 2.14453e-05 0.00147052 12
3617 295 H 44.251 6.9712 42.6342 -0.0110075 -0.00762991 -0.00940199 12
3618 296 H 45.3743 7.00468 44.6304 -0.00646796 0.000958348 0.00563823 12
3619 297 H 46.4757 5.94734 43.8122 0.000477983 0.0130068 0.00923311 12
3620 298 H 46.2559 4.72776 45.7071 -0.00823729 0.00929225 0.00899892 12
3621 299 H 44.9692 3.9654 44.8442 -0.00491506 -0.0103116 0.0176088 12
3622 300 H 44.7255 6.24553 46.8835 -0.000428356 0.0120598 -0.00620697 12
3623 301 H 44.1283 4.60288 47.1347 -0.00183656 0.00220167 0.0031455 12
3624 302 H 43.3361 5.63634 45.9084 -0.001363 0.00588095 0.00583642 12
3625 1 C 1.59424 20.3359 30.671 0.000224081 -0.00221242 -0.000164376 13
3626 2 C 1.75075 20.2121 29.2961 0.00103333 -0.00281774 -0.00147948 13
3627 3 C 1.37586 19.0211 28.6906 0.00145771 0.00685257 0.00110835 13
3628 4 C 0.789859 18.0041 29.4657 -0.00159837 0.0047221 0.000639579 13
3629 5 C 0.623939 18.1167 30.8687 -0.00011061 -0.00206465 -0.0069782 13
3630 6 C 1.00628 19.3122 31.4582 0.00180171 0.0040823 0.00431593 13
3631 7 C -3.78752 16.741 30.717 0.0019748 -0.00205881 -0.00151193 13
3632 8 C -3.71682 16.593 29.3508 0.00114698 -0.00360104 0.00171028 13
3633 9 C -2.48789 16.6088 28.7216 -0.0012276 -0.00233103 -0.00150696 13
3634 10 C -1.30766 16.7609 29.4673 -0.00594094 -0.00228588 -0.002024 13
3635 11 C -1.39087 16.8719 30.8648 -0.00264959 0.00286486 0.00262792 13
3636 12 C -2.64809 16.8449 31.501 -0.000977888 0.00125044 -0.00342686 13
3637 13 C 1.79413 13.4586 31.0363 -0.00224453 0.00102365 0.00180385 13
3638 14 C 1.9505 13.4858 29.623 0.00423311 0.00153714 -0.00150024 13
3639 15 C 1.40341 14.5657 28.916 -0.00225966 -0.00432482 -0.00212218 13
3640 16 C 0.807738 15.6245 29.6148 -0.001872 0.0013131 -0.000154297 13
3641 17 C 0.122205 16.7956 28.9098 0.00552746 0.00671068 -0.00020283 13
3642 18 O 0.974496 14.35 33.0754 3.57345e-05 -4.01134e-05 0.00350211 13
3643 19 O -2.67983 16.9451 32.8537 -0.00116793 -0.00102115 0.000104298 13
3644 20 O 0.884104 19.4729 32.845 -0.00213074 0.00100112 -0.000382523 13
3645 21 C 1.1313 14.4902 31.7378 -0.00486056 0.00494698 0.00300044 13
3646 22 C 0.330855 16.7072 27.4566 0.000693684 0.00306477 0.00120796 13
3647 23 C 0.800104 16.7126 26.3214 -0.00201591 -0.00310202 0.00539501 13
3648 24 C 1.51947 16.7907 25.077 -0.000757245 -0.00150635 -0.00423212 13
3649 25 C 2.05351 15.6667 24.421 0.00114262 0.00301582 -0.000773532 13
3650 26 C 2.9226 15.7932 23.3138 0.0033263 -0.000486498 -0.00321231 13
3651 27 C 3.30163 17.0836 22.8942 0.0018922 -0.00143759 0.000128702 13
3652 28 C 2.7675 18.2225 23.528 -0.00134686 0.000209991 -0.000948079 13
3653 29 C 1.89433 18.0665 24.6183 0.00120909 -0.000898157 0.000345796 13
3654 30 C 4.10874 17.1979 21.7157 -0.00384442 -0.00251617 -0.00681896 13
3655 31 C 4.62471 17.2493 20.6163 0.000375995 -0.00354385 0.00266567 13
3656 32 C 3.56445 13.8002 18.3877 0.0011158 0.000578319 0.00231242 13
3657 33 C 3.94254 13.6888 17.0624 -0.000424346 -5.94431e-05 -0.000593357 13
3658 34 C 4.53191 14.7665 16.3765 -0.00348965 -0.000144798 -0.000102868 13
3659 35 C 4.73057 15.9718 17.0611 -0.00180713 0.00139231 -0.00526798 13
3660 36 C 4.44395 16.0188 18.4565 -0.00297745 -0.00233317 -0.00157921 13
3661 37 C 3.7881 14.9585 19.0792 0.000936673 -0.00352456 -0.00222646 13
3662 38 C 4.95236 17.2792 19.1821 -0.000642286 -0.000458312 0.00247291 13
3663 39 C 8.84375 17.248 19.2047 0.00144483 -0.001382 -0.00123635 13
3664 40 C 9.05498 17.257 17.8242 -0.00126726 -0.00202437 -0.00198315 13
3665 41 C 7.9893 17.2896 16.9086 0.00333779 -0.00285103 0.00406059 13
3666 42 C 6.67853 17.2903 17.4156 0.00370251 -0.000590759 0.00144537 13
3667 43 C 6.44837 17.2749 18.7963 0.00360903 -0.000652036 -0.00189837 13
3668 44 C 7.52056 17.2742 19.7008 -0.00038024 0.000760589 0.000849126 13
3669 45 C 2.91016 20.3684 18.0832 0.000973544 0.00249059 -0.000289228 13
3670 46 C 3.1465 20.2874 16.7088 -0.000741693 0.00142826 -0.00215559 13
3671 47 C 4.02899 19.3276 16.1746 0.000415421 0.00290098 -0.0016732 13
3672 48 C 4.59238 18.3931 17.0204 0.000679179 -0.000546863 -0.0052887 13
3673 49 C 5.45078 17.2279 16.5533 -0.00209172 0.000649698 -0.00330398 13
3674 50 C 4.36231 18.4698 18.3967 0.00361751 -0.00213054 -0.00415341 13
3675 51 C 3.5115 19.4722 18.9538 -0.000957745 0.000981551 0.00288383 13
3676 52 O 8.2508 17.5724 15.5535 8.87259e-07 0.00030969 0.00285185 13
3677 53 O 4.83744 14.6657 15.0102 0.00142954 0.000193479 0.00555387 13
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3679 55 C -0.0137995 16.8997 31.5549 0.00212606 -0.00355174 -0.00308692 13
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3928 2 C 6.00657 26.7559 29.8225 -0.00194392 -0.000612972 -0.00216818 14
3929 3 C 5.52239 25.6444 29.1796 0.00207144 0.00263381 -0.000766511 14
3930 4 C 4.82362 24.6637 29.8587 0.00186767 0.000187771 -0.0018681 14
3931 5 C 4.56941 24.7963 31.2309 0.00568544 0.00244643 -0.00264969 14
3932 6 C 5.05941 25.9133 31.9373 -0.00291723 -0.00240989 0.000960407 14
3933 7 C 0.190409 24.2427 30.4568 -0.00194779 -0.00441383 -0.00138784 14
3934 8 C 0.412648 24.1605 29.0997 0.0025202 -0.00330855 -0.00209547 14
3935 9 C 1.70902 23.8249 28.6366 0.000575666 -0.00311991 -0.00151835 14
3936 10 C 2.71437 23.6052 29.5833 0.00165642 -0.00433007 0.000793516 14
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3939 13 C 5.68723 20.1752 31.5548 0.00149953 -0.00448576 -0.00143127 14
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3943 17 C 4.19211 23.4369 29.2103 -0.000560598 0.00388889 0.00412375 14
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3947 21 C 5.04001 21.2591 32.1817 0.00466844 -0.00268159 0.00308782 14
3948 22 C 4.52396 23.3224 27.7989 -0.00132395 -0.00270663 -0.00104533 14
3949 23 C 5.0228 23.3096 26.698 0.000576066 -0.00210399 -0.00427542 14
3950 24 C 5.75531 23.3128 25.4951 -0.000414808 -0.000179501 -0.00262186 14
3951 25 C 6.92913 22.5516 25.4229 -0.00290653 0.000824525 0.00362593 14
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3953 27 C 7.4745 23.7043 23.3687 -0.000318287 0.00463734 0.00180732 14
3954 28 C 6.29114 24.4565 23.4807 0.000208723 -0.00307247 0.0013984 14
3955 29 C 5.39993 24.2621 24.5432 -0.000729396 -0.00319377 -0.00195545 14
3956 30 C 8.1845 23.7758 22.1323 -0.00625354 0.00136878 -0.00293527 14
3957 31 C 8.62642 23.843 20.9905 -0.000707875 -0.0011923 -0.000941411 14
3958 32 C 6.97966 20.7107 18.5444 0.0024064 -0.00294475 0.00313508 14
3959 33 C 7.14439 20.7968 17.1561 0.0040328 -0.00119919 -0.00268944 14
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3963 37 C 7.4658 21.7472 19.3542 -0.00164808 4.71743e-05 0.00368984 14
3964 38 C 8.91644 23.9638 19.5682 -0.000928118 0.000423821 -0.00141733 14
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3976 50 C 8.39351 25.2811 18.9348 -0.00522778 0.00238764 -0.00101214 14
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3994 68 C 10.7438 22.4617 1.3277 0.00158245 0.00125263 -0.000120698 14
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4011 85 C 10.3607 27.5756 11.0743 0.00370627 -0.00197644 -0.00244522 14
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4013 87 C 11.9517 28.1384 9.12704 -0.00648487 0.00030844 3.06081e-05 14
4014 88 C 11.2616 27.12 8.17968 0.00209827 -0.0010145 -0.00105861 14
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4021 95 C -1.20059 24.0866 34.3516 -0.00278369 -0.00189273 0.00507235 14
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4023 97 C -1.6991 24.0673 36.9672 0.00488873 0.00117547 -0.00441089 14
4024 98 C -1.2361 23.482 38.3171 -0.00308077 -0.000468228 0.00391255 14
4025 99 C -1.96108 24.0113 39.5765 0.00285727 0.00217633 -0.00120592 14
4026 100 C -1.25829 23.4793 40.8593 -0.00167932 0.00245658 -0.000380132 14
4027 101 C -1.76852 24.1111 42.1428 -1.77283e-05 -0.000769076 0.000887894 14
4028 102 C -1.04709 23.5381 43.4039 -0.00167266 -0.00155757 0.0024387 14
4029 103 C -1.42982 24.209 44.7431 -0.00424642 0.00064731 -0.00174163 14
4030 104 C -0.649121 23.5725 45.8939 0.000403268 0.00118504 -0.000205407 14
4031 105 C -1.12394 24.0216 47.2709 0.000319292 -0.00104633 5.26516e-05 14
4032 106 C 5.8413 26.6385 34.1524 -0.0010882 0.000261638 -0.00116998 14
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4034 108 C 6.05211 28.8265 35.6301 -0.000277461 0.00366826 -0.00806814 14
4035 109 C 5.49681 28.2783 36.9728 -0.00254965 -0.0039927 -0.000701196 14
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4037 111 C 5.63236 28.2572 39.4837 0.00260954 0.000584809 -0.0051349 14
4038 112 C 6.27491 28.9398 40.7295 0.00364998 -0.0020589 -0.00403319 14
4039 113 C 6.33094 28.0787 41.9998 0.00312203 0.00284378 -0.00393972 14
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4041 115 C 7.16963 28.2003 44.3754 0.0032764 -0.00152799 0.00296658 14
4042 116 C 6.05478 27.5618 45.2 0.00551534 -0.00153091 -0.00272053 14
4043 117 C 5.31758 28.6012 46.0576 -0.000254501 0.0011389 0.00154603 14
4044 118 C 4.91299 20.0899 34.3234 -0.00363796 -0.000245635 -0.00145545 14
4045 119 C 6.33366 19.7387 34.8835 -0.000747684 0.00230399 0.000272688 14
4046 120 C 6.35033 18.5633 35.8688 0.00216225 -0.00207813 0.00139893 14
4047 121 C 5.6611 18.8505 37.2408 -0.000340646 0.000575922 0.00291705 14
4048 122 C 6.61396 19.6949 38.1438 0.000330471 -0.0006454 0.00276927 14
4049 123 C 6.00373 19.9071 39.5291 0.000441754 0.00269948 0.00209945 14
4050 124 C 6.20068 18.7356 40.5081 0.00136605 -0.00317055 -0.00167512 14
4051 125 C 5.66937 19.1842 41.9025 0.00112471 0.000285169 -0.00159575 14
4052 126 C 6.11413 18.2512 43.0812 0.000766953 -0.000111127 -0.00315961 14
4053 127 C 6.20804 19.062 44.4106 -0.00373758 -0.00481431 0.0042254 14
4054 128 C 6.4733 18.1948 45.6606 0.00266293 -0.00360743 0.00200327 14
4055 129 C 6.5319 19.0113 46.926 -0.00337322 0.00220777 -0.000223269 14
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4235 7 C 4.04944 16.8595 30.3537 0.00210586 0.00200909 0.00596004 15
4236 8 C 4.33802 16.6785 28.9861 -0.00187646 -0.00103872 0.00119403 15
4237 9 C 5.65903 16.6867 28.5455 5.4886e-05 0.00416138 0.00233565 15
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4239 11 C 6.44149 16.7649 30.89 0.000245947 0.00433233 0.000566924 15
4240 12 C 5.07997 16.8714 31.335 -1.42357e-05 -0.000297645 0.00073915 15
4241 13 C 9.7405 13.4569 31.5884 0.00270532 0.000783228 -0.000370091 15
4242 14 C 9.91407 13.3776 30.1954 -0.00310855 8.65615e-05 0.0030668 15
4243 15 C 9.45889 14.3702 29.379 -0.00297888 -0.000529742 -0.00364513 15
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4245 17 C 8.19118 16.6359 29.1349 -0.00220671 0.00188312 0.000549037 15
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4250 22 C 8.51592 16.5482 27.7189 0.000705719 -0.00406347 0.00117204 15
4251 23 C 8.97141 16.5416 26.6026 0.00348127 0.00103318 0.0056474 15
4252 24 C 9.70855 16.5651 25.3712 -0.00192554 -0.00321334 0.000682228 15
4253 25 C 10.6406 15.5514 25.0351 -0.000346932 -0.00109036 -0.00342396 15
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4255 27 C 11.5753 16.9815 23.31 0.00549445 -0.00523276 0.00450049 15
4256 28 C 10.6248 17.984 23.6156 -0.0012255 0.000725585 0.000165934 15
4257 29 C 9.6747 17.7521 24.6298 0.00528459 -0.00136005 0.00234648 15
4258 30 C 12.3095 17.0756 22.0637 0.00152581 -0.00232626 -0.00273852 15
4259 31 C 12.6507 17.141 20.9169 -0.00232733 -0.00130554 0.00160476 15
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4264 36 C 12.2129 15.9269 18.8044 -0.00203365 -0.000903154 -0.00372079 15
4265 37 C 11.5694 14.8412 19.4336 0.00246694 -0.000778405 0.000749185 15
4266 38 C 12.8464 17.1406 19.4671 0.00048265 0.000910413 -0.00107313 15
4267 39 C 16.7377 17.1689 19.058 0.00103704 0.00346916 0.00053158 15
4268 40 C 16.7842 17.3957 17.6574 0.00090845 0.00163075 -0.00182232 15
4269 41 C 15.6263 17.3917 16.9073 0.000906998 0.000374761 -0.00484053 15
4270 42 C 14.4181 17.209 17.5698 0.000880877 -0.00506754 1.29037e-05 15
4271 43 C 14.3136 17.1395 18.9496 -0.000790804 -0.000405555 -0.00272386 15
4272 44 C 15.4959 17.0801 19.6977 0.00467751 0.00242864 -0.00643034 15
4273 45 C 10.9074 20.4548 18.6617 -0.00511734 0.000230802 0.0033657 15
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4275 47 C 11.7848 19.4462 16.6318 0.00292283 -0.00208479 -0.00682856 15
4276 48 C 12.2986 18.3841 17.3933 0.000725375 -0.00225087 0.00248127 15
4277 49 C 13.0635 17.2077 16.8344 0.002965 -0.00314926 -0.00519293 15
4278 50 C 12.1608 18.3842 18.7826 0.000125822 -0.00200623 0.00092755 15
4279 51 C 11.4499 19.405 19.4262 -0.00252608 0.0012409 -0.00317511 15
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4284 56 C 8.5115 15.5095 31.3463 0.00157032 -3.58775e-05 0.0026819 15
4285 57 C 15.5167 16.7451 14.5637 0.00127597 0.00403915 0.00229775 15
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4287 59 C 14.9895 16.513 12.0324 -0.00537638 -0.00313452 0.00090653 15
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4289 61 C 14.5141 16.1229 9.56847 0.000736541 0.000235019 0.00080768 15
4290 62 C 15.2753 15.8751 8.26105 0.0026555 -0.00677994 -0.00248285 15
4291 63 C 15.7305 17.1561 7.56879 -0.000953482 -0.00603185 0.0038328 15
4292 64 C 15.9571 16.949 6.0436 0.00121703 0.000754782 0.00125281 15
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4294 66 C 14.8159 16.5791 3.78741 -0.00093406 0.0045773 0.00282702 15
4295 67 C 15.4783 17.6411 2.80919 -0.0020952 -0.00122585 -0.00311534 15
4296 68 C 15.3743 17.1871 1.35473 0.00294426 -0.00251148 -0.000977817 15
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4298 70 C 13.0281 13.4519 14.874 0.000811636 0.0021937 -0.00092045 15
4299 71 C 13.859 13.6757 13.6 0.00138167 0.000901018 -0.0016115 15
4300 72 C 14.0836 12.4154 12.7692 -0.00465826 0.00262238 9.8827e-05 15
4301 73 C 14.4598 12.6568 11.2925 0.00538769 0.000716214 8.63843e-05 15
4302 74 C 14.7855 11.411 10.497 -0.0010122 -0.000594263 0.00353481 15
4303 75 C 15.4852 11.7412 9.20363 0.00361944 -0.0038481 0.00269693 15
4304 76 C 14.4957 12.2261 8.11905 -0.00233772 -0.00312233 0.00351066 15
4305 77 C 15.2863 12.4312 6.76381 -0.00573012 -0.00182704 -0.00492312 15
4306 78 C 14.4349 12.7928 5.52352 -0.00262722 0.0017028 0.000898693 15
4307 79 C 15.3954 13.05 4.32657 -0.000260974 -0.000759571 -0.000881553 15
4308 80 C 14.6875 13.3262 2.97814 -0.00410321 0.000993225 -0.00206481 15
4309 81 C 14.2565 11.9796 2.36336 0.00149235 -0.00191484 -0.00061907 15
4310 82 C 11.2552 18.9049 14.3518 -0.00440047 0.00182565 0.00338594 15
4311 83 C 12.0486 18.7079 13.0634 0.00494824 -2.26979e-05 -0.000524772 15
4312 84 C 11.1899 18.5342 11.8023 0.00110456 -0.00373953 0.00236488 15
4313 85 C 11.9069 18.8614 10.5367 0.000352341 -0.00379459 -0.000464199 15
4314 86 C 11.0136 18.4788 9.3091 0.00133296 0.000308465 0.000544056 15
4315 87 C 11.7464 18.6821 7.91809 0.000287568 -0.000865164 -0.00456661 15
4316 88 C 10.6894 18.512 6.77204 0.000340438 0.0017186 -0.000989669 15
4317 89 C 11.2592 18.4327 5.3073 -0.00279202 -0.00206978 0.0014311 15
4318 90 C 10.1233 18.7023 4.29462 -0.000669651 -0.00078433 0.00144622 15
4319 91 C 10.4136 18.0918 2.9117 -0.00141289 -0.00261827 0.00207215 15
4320 92 C 11.6339 18.7218 2.17229 -0.0011477 0.000600926 0.00250128 15
4321 93 C 11.7595 18.2718 0.696435 -0.00244237 -0.000586463 -0.00290567 15
4322 94 C 3.36518 17.043 33.0764 -0.000698678 -0.000832097 0.00258666 15
4323 95 C 3.16235 16.913 34.6017 0.00234808 0.00129615 0.00329332 15
4324 96 C 1.67861 17.0046 35.069 0.00112944 0.00206944 0.00196386 15
4325 97 C 1.44952 16.5986 36.5511 0.00675764 0.000964292 -0.00496622 15
4326 98 C 2.23839 17.3674 37.6071 0.00143622 -0.00419097 0.0034111 15
4327 99 C 2.0415 16.6552 38.9576 -0.00112688 0.000404599 -0.00472091 15
4328 100 C 2.43688 17.5154 40.1785 0.00337518 -4.10319e-05 0.0013896 15
4329 101 C 2.39761 16.5968 41.426 0.00276351 0.000779597 0.0019816 15
4330 102 C 2.31257 17.3554 42.7693 -0.000816307 0.00194636 -0.00266279 15
4331 103 C 2.64168 16.4143 43.9144 -0.00101654 0.000601392 0.00681611 15
4332 104 C 2.66625 17.152 45.2686 -0.00510425 0.00238016 0.000328063 15
4333 105 C 3.0124 16.2339 46.4345 -2.62209e-05 -0.00331661 0.00358822 15
4334 106 C 9.44666 20.5539 33.8997 -0.00444556 0.00035718 -0.00300729 15
4335 107 C 9.70079 20.514 35.4108 -0.00434658 -0.00114221 0.00172699 15
4336 108 C 10.1529 21.8949 35.9644 0.000868049 0.000127422 -0.000712314 15
4337 109 C 9.68543 22.1668 37.4202 0.000524928 0.0037463 -0.00110055 15
4338 110 C 10.3687 21.2764 38.5196 -0.00266897 0.00194744 0.00159925 15
4339 111 C 10.4457 22.0104 39.9131 -0.000575017 0.00516119 -8.76041e-05 15
4340 112 C 9.06477 22.0881 40.6287 -0.00527279 0.00169833 -0.000964011 15
4341 113 C 8.73213 20.9023 41.5981 -0.00203095 -0.000942429 0.00311518 15
4342 114 C 9.76895 20.5835 42.6915 0.00255945 0.00233445 0.000958473 15
4343 115 C 10.1336 21.8197 43.5588 -0.00112439 0.0020667 -0.00347998 15
4344 116 C 10.7564 21.3876 44.9148 -0.000608999 -0.00198816 -0.00344857 15
4345 117 C 9.77343 20.8109 45.9265 -0.00105528 -0.000925192 0.00194068 15
4346 118 C 9.41179 13.417 34.3624 -9.93444e-06 -0.000661601 8.48972e-05 15
4347 119 C 8.82807 13.4209 35.7752 0.000974884 0.000650072 -0.0013303 15
4348 120 C 9.70627 12.7452 36.8377 0.00419686 0.000933399 -0.00270073 15
4349 121 C 9.11205 12.8849 38.2714 0.000599029 0.00462274 -0.000750452 15
4350 122 C 10.1723 12.7461 39.3469 0.0018586 0.00192337 1.19731e-05 15
4351 123 C 9.58444 12.7598 40.7528 0.00154536 0.000350854 0.0011161 15
4352 124 C 10.646 12.4993 41.8749 0.00206927 -0.00260035 -0.000523474 15
4353 125 C 9.92585 12.4678 43.2592 0.00193882 -0.00021382 -0.00183075 15
4354 126 C 10.8549 11.9815 44.3971 -0.000716114 -0.000799559 0.00186342 15
4355 127 C 10.1141 12.2069 45.697 -0.00501773 0.000978974 -0.000370324 15
4356 128 C 10.699 11.4892 46.9455 0.000160615 0.000145561 0.00497132 15
4357 129 C 11.9913 12.0596 47.5387 -0.000111598 0.00129946 -0.00254815 15
4358 130 F 10.6115 14.3747 25.652 -0.000629277 0.00247118 0.00116835 15
4359 131 H 9.90222 21.0833 31.5304 0.0177711 -0.0120299 0.00640069 15
4360 132 H 10.0734 20.8971 29.0757 -0.000630691 0.00175677 0.00040615 15
4361 133 H 9.24462 18.9103 27.972 -0.00377635 -0.000312261 -0.000207376 15
4362 134 H 3.0035 16.8936 30.644 -0.000169174 0.00922891 -0.00313813 15
4363 135 H 3.51866 16.593 28.2785 -0.00613603 -0.0115338 0.00738203 15
4364 136 H 5.82593 16.6347 27.4737 -0.00408117 -0.00189809 0.00198145 15
4365 137 H 10.207 12.7036 32.2163 0.0126015 0.00633026 -0.00107318 15
4366 138 H 10.497 12.5558 29.7902 -0.00370907 -0.00278387 0.00799748 15
4367 139 H 9.73572 14.3103 28.3306 -0.0101074 -0.0024767 -0.00540531 15
4368 140 H 10.6127 18.9046 23.0396 -0.00432078 0.00305052 0.00395322 15
4369 141 H 9.02126 18.5309 25.0116 0.000404435 -0.00914808 0.00996014 15
4370 142 H 10.5565 12.9521 19.1438 0.0103203 -0.00981421 -0.0014974 15
4371 143 H 11.3389 12.7763 16.8042 0.015759 0.0046045 -0.0103687 15
4372 144 H 11.391 14.8676 20.5046 0.00946759 0.0144339 0.00155808 15
4373 145 H 17.6595 17.047 19.6191 0.0138264 0.00513872 -0.0200819 15
4374 146 H 17.7436 17.5147 17.1627 0.000397681 -0.00436103 -0.00424914 15
4375 147 H 15.4535 16.8993 20.7677 -0.0249565 0.00852168 -0.00657866 15
4376 148 H 10.341 21.2593 19.1217 0.00158012 0.00527032 0.00281231 15
4377 149 H 10.6808 21.2543 16.6152 0.000340012 0.00430617 0.00138525 15
4378 150 H 13.0814 17.165 15.7384 -0.0189462 -0.00299007 -0.00557003 15
4379 151 H 11.259 19.4073 20.4953 0.00195964 -0.00782576 -0.0023673 15
4380 152 H 7.59675 16.8163 32.8609 0.00766143 0.0129288 -0.00131149 15
4381 153 H 16.3056 15.9836 14.5969 -0.00587515 -0.00342285 0.00129892 15
4382 154 H 14.5451 16.2497 14.6817 4.76095e-05 0.00290302 -0.0125736 15
4383 155 H 16.541 17.7219 12.9172 0.00161939 -0.0177324 -0.0130731 15
4384 156 H 14.854 18.2966 13.2936 -0.0135887 -0.00992154 0.0134006 15
4385 157 H 13.9017 16.4151 12.1357 -0.0059013 -0.000795225 -0.0024329 15
4386 158 H 15.3882 15.5094 12.2252 0.0170974 0.00413026 -0.00795152 15
4387 159 H 16.3834 16.8521 10.4104 0.0031781 0.000191678 0.00988399 15
4388 160 H 15.1213 18.0194 10.4799 -0.00312825 0.0039338 -0.00254916 15
4389 161 H 13.6358 16.7275 9.31087 0.00142345 0.00845549 0.0177291 15
4390 162 H 14.1374 15.1927 10.0115 -0.0112257 0.00867997 0.00842847 15
4391 163 H 14.5986 15.3194 7.6003 -0.0156457 0.00841682 0.00348431 15
4392 164 H 16.1482 15.2276 8.4098 0.000776422 -0.00821117 0.00227854 15
4393 165 H 16.6945 17.4026 8.03078 -0.00314077 -0.00168201 0.00604902 15
4394 166 H 14.976 17.9375 7.72212 0.00236854 -0.000822402 -0.00633188 15
4395 167 H 16.3915 15.9564 5.87189 0.00425743 0.00127173 0.00599183 15
4396 168 H 16.6621 17.701 5.66842 0.00361409 -0.00286131 -0.00148602 15
4397 169 H 14.1779 18.0185 5.23582 -0.0063061 -0.0030946 -0.0160251 15
4398 170 H 13.8857 16.3845 5.75777 0.0022918 -0.00533864 0.00309137 15
4399 171 H 13.8253 16.3604 3.37004 -0.00120955 7.29442e-05 0.00585725 15
4400 172 H 15.3954 15.6519 3.69875 -0.000403436 0.00486764 0.00327322 15
4401 173 H 16.5429 17.7322 3.05799 -0.00260752 -0.0109077 0.00266405 15
4402 174 H 14.992 18.6199 2.90388 -0.0102253 -0.00538578 -0.00182455 15
4403 175 H 15.5685 16.1107 1.27049 -0.00074553 -0.00336517 0.00145763 15
4404 176 H 16.1791 17.6615 0.77968 -0.00776411 0.00156489 -0.0125522 15
4405 177 H 14.4014 17.3618 0.878942 0.0052272 0.0117928 -0.000361423 15
4406 178 H 13.6639 12.975 15.6301 -0.00280914 -0.000391041 0.000492368 15
4407 179 H 12.1785 12.7856 14.6801 -0.00352951 0.0100704 -0.00897465 15
4408 180 H 13.3969 14.4368 12.9592 -0.0094514 -0.00273892 0.00189175 15
4409 181 H 14.8343 14.1015 13.8661 0.000254442 -0.00105207 0.0055856 15
4410 182 H 14.8852 11.8397 13.2482 -0.00998523 -0.00820443 -0.00400953 15
4411 183 H 13.1636 11.828 12.8788 -0.00839051 0.0110167 0.0141497 15
4412 184 H 13.5914 13.1415 10.8297 0.000717024 0.00115574 0.00929343 15
4413 185 H 15.2094 13.4558 11.2383 0.00933252 -0.00310049 -0.00122176 15
4414 186 H 15.4076 10.7167 11.0751 0.00409212 0.00161957 0.000691472 15
4415 187 H 13.8394 10.8983 10.2839 -0.00267701 0.00652578 -0.00619199 15
4416 188 H 16.2714 12.5005 9.29745 0.00171618 -0.00174465 0.00165514 15
4417 189 H 15.9713 10.8195 8.86068 0.0053478 -0.000352871 -0.00423814 15
4418 190 H 13.7279 11.4483 8.02501 8.37104e-05 -0.00544496 0.00294686 15
4419 191 H 13.9751 13.1315 8.45443 -0.00641008 -0.0042431 0.000213723 15
4420 192 H 15.9509 13.2853 6.94368 0.00497162 -0.0106681 -0.00256454 15
4421 193 H 15.9411 11.5667 6.59863 -0.0113208 -0.00825751 0.00647846 15
4422 194 H 13.7561 11.9378 5.4152 -0.00880522 0.00563887 0.00826388 15
4423 195 H 13.7667 13.6377 5.73101 -0.00341122 -0.00104974 0.00963474 15
4424 196 H 16.0201 13.9175 4.5728 0.00514188 -0.000525992 -0.0153943 15
4425 197 H 16.0838 12.2089 4.17824 -0.0100934 -0.00777958 -0.00675786 15
4426 198 H 13.8147 13.989 3.02578 -0.00187165 0.00359411 0.00239672 15
4427 199 H 15.4227 13.7972 2.31402 0.00739424 0.0014357 0.0109551 15
4428 200 H 13.5612 11.4265 3.0068 0.00520604 0.00232796 0.0070374 15
4429 201 H 13.7916 12.1813 1.39044 0.00881013 0.00274684 -0.00315632 15
4430 202 H 15.1638 11.3843 2.20271 -0.00666693 -0.0131621 -0.00487512 15
4431 203 H 10.9043 17.9178 14.6773 -0.00353808 0.00336692 0.00898039 15
4432 204 H 10.4008 19.5796 14.2169 -0.00266726 0.00455371 0.00606493 15
4433 205 H 12.6949 19.5812 12.9121 -0.00239423 0.00281316 -0.015614 15
4434 206 H 12.6525 17.8031 13.2054 0.0097542 0.00157831 -0.0108187 15
4435 207 H 10.8422 17.4956 11.7403 -0.00432347 -0.00223231 0.00763185 15
4436 208 H 10.3016 19.1761 11.8488 -0.000380998 -0.00634551 0.0100215 15
4437 209 H 12.073 19.9412 10.4368 -0.000916177 -0.00284087 0.00791392 15
4438 210 H 12.8781 18.3523 10.5657 -0.00208463 -0.00779166 0.0113723 15
4439 211 H 10.6462 17.45 9.40867 -0.0152332 0.00620403 0.000352121 15
4440 212 H 10.1387 19.1406 9.3051 -0.001106 -0.0028982 0.00495373 15
4441 213 H 12.1855 19.6811 7.80547 0.0157705 -0.00725627 -0.000677447 15
4442 214 H 12.5189 17.906 7.85219 -0.0056571 -0.00855748 0.0155999 15
4443 215 H 10.111 17.6026 6.9765 -0.0105944 0.00578066 -0.0139257 15
4444 216 H 9.99717 19.3575 6.86825 0.000666912 0.00213243 -0.00228802 15
4445 217 H 12.004 19.2185 5.13038 -0.00334907 -0.00161366 0.0011048 15
4446 218 H 11.7356 17.4546 5.16712 0.00959917 0.00298476 0.00819854 15
4447 219 H 9.19667 18.2467 4.66512 0.00695962 -0.0128367 0.00573032 15
4448 220 H 9.96689 19.7851 4.21316 0.00882897 -0.000186817 -0.00890782 15
4449 221 H 10.5768 17.0115 3.00989 0.00319843 -0.000438849 0.0184784 15
4450 222 H 9.52078 18.2758 2.30138 -0.00368486 0.0111382 0.00950629 15
4451 223 H 11.6934 19.8134 2.26242 0.0145153 -0.00106107 0.0128615 15
4452 224 H 12.5583 18.3824 2.65575 0.00359758 -0.0124522 -0.0156997 15
4453 225 H 11.7926 17.1783 0.61529 0.00621088 -0.0013778 0.0113196 15
4454 226 H 10.9576 18.6343 0.0414582 -0.00309432 0.00392257 0.00039586 15
4455 227 H 12.7021 18.6257 0.260797 -0.00473621 -0.00463203 -0.0111724 15
4456 228 H 2.95148 18.014 32.7773 0.00387987 0.00598399 0.0183226 15
4457 229 H 2.80253 16.2442 32.5777 -4.7985e-05 0.0012705 -0.00152276 15
4458 230 H 3.45107 15.9031 34.9179 0.00966611 0.00449419 0.00676269 15
4459 231 H 3.73745 17.6949 35.1129 0.0057915 -0.00617878 0.0108234 15
4460 232 H 1.24526 17.9835 34.8293 0.00750359 0.00603419 0.00661854 15
4461 233 H 1.0248 16.2947 34.5475 -0.00933993 -0.00265339 0.0214066 15
4462 234 H 0.376386 16.6844 36.7619 0.0063179 -0.00345265 -0.00538601 15
4463 235 H 1.69751 15.5361 36.6645 0.00291361 0.000982674 0.00363378 15
4464 236 H 3.3044 17.3549 37.3485 0.000926432 -0.00548138 0.00135856 15
4465 237 H 1.84216 18.39 37.5819 0.00517566 -0.00278293 0.00188684 15
4466 238 H 1.00458 16.367 39.1701 -0.00291021 0.0114534 0.00162055 15
4467 239 H 2.58377 15.7023 38.9935 -0.0192608 -0.009412 0.0101489 15
4468 240 H 3.45473 17.8884 40.0105 0.00420339 -0.00401676 -0.00246386 15
4469 241 H 1.77039 18.3813 40.2761 -0.00776789 -0.00695738 -0.0135254 15
4470 242 H 1.53589 15.9192 41.385 0.00654315 -0.0039133 0.000116648 15
4471 243 H 3.28286 15.9521 41.4905 -0.00120637 -0.00465709 0.00216772 15
4472 244 H 3.075 18.1426 42.8187 -0.00599216 0.00690605 -0.00199967 15
4473 245 H 1.31541 17.7951 42.8948 -0.00614903 -0.0102203 -0.00233931 15
4474 246 H 1.86684 15.6385 43.9477 0.00279467 -0.00363882 -0.00354313 15
4475 247 H 3.62788 15.9596 43.7592 -0.000607017 0.00411418 -0.000848863 15
4476 248 H 3.39408 17.9716 45.224 -0.0169663 0.0123776 -0.0100052 15
4477 249 H 1.70878 17.6708 45.401 -0.00976752 -0.00466229 -0.00582111 15
4478 250 H 3.97773 15.7415 46.2639 -0.00248339 -0.00527603 -0.00464893 15
4479 251 H 3.11338 16.8103 47.3624 -0.020243 -0.00081754 0.00421165 15
4480 252 H 2.25247 15.4491 46.534 0.00296842 -0.00704504 -0.00289832 15
4481 253 H 10.3779 20.9472 33.4738 0.00475576 -0.00833433 0.00912014 15
4482 254 H 8.70123 21.3211 33.6566 -0.002987 3.54532e-05 -0.00851423 15
4483 255 H 8.81346 20.1305 35.9295 -0.00387397 0.00819797 0.00942183 15
4484 256 H 10.5289 19.8095 35.5571 0.0125229 0.0203755 0.0100955 15
4485 257 H 11.2493 21.8713 35.9388 0.000980794 0.00797885 -0.00220522 15
4486 258 H 9.80642 22.7074 35.3139 -0.00890078 0.00530819 0.0109322 15
4487 259 H 10.0079 23.1778 37.6984 0.0115196 0.00067475 -0.00257338 15
4488 260 H 8.59724 22.0339 37.4598 0.000812873 0.00211115 0.00133988 15
4489 261 H 9.72821 20.4011 38.6838 -0.00386426 0.00343055 0.00487389 15
4490 262 H 11.3802 20.9619 38.2344 0.00411473 0.00722608 0.0197614 15
4491 263 H 11.2074 21.5962 40.5851 -0.00663187 0.00747147 0.00821338 15
4492 264 H 10.7104 23.0557 39.7113 -0.00388973 0.00342038 -0.0135315 15
4493 265 H 9.03805 22.9951 41.2451 0.00301499 0.00942051 -0.0119894 15
4494 266 H 8.25941 22.1575 39.8871 0.012041 0.0114547 -0.0188298 15
4495 267 H 7.80747 21.2152 42.0986 -0.00503025 -0.00705748 0.00138031 15
4496 268 H 8.546 19.9642 41.0607 -0.00260021 0.000981061 -3.64429e-05 15
4497 269 H 9.38421 19.7801 43.3319 0.0144185 0.000607343 0.005962 15
4498 270 H 10.7109 20.1561 42.3262 -0.00266139 -0.00220323 -0.00713161 15
4499 271 H 10.8015 22.5182 43.0398 0.00160021 0.00415821 0.00282945 15
4500 272 H 9.23864 22.426 43.7454 -0.00335969 -0.00206657 -0.000801841 15
4501 273 H 11.5688 20.6782 44.7145 0.003581 0.00291222 -0.00380487 15
4502 274 H 11.1896 22.2598 45.4198 -0.019388 0.00886397 -0.00602347 15
4503 275 H 9.07823 21.597 46.2463 0.00406718 0.00585088 -0.00357129 15
4504 276 H 9.17009 19.978 45.545 0.000492884 0.00015833 -0.00286958 15
4505 277 H 10.3121 20.5305 46.8401 -0.00900194 -0.00132622 0.00650367 15
4506 278 H 9.21883 12.4523 33.877 0.0100603 -0.00256295 -0.000137177 15
4507 279 H 10.4934 13.6003 34.3641 -0.000517752 0.00207969 0.015186 15
4508 280 H 7.87296 12.8813 35.7826 -0.00396563 0.00932075 -0.00887568 15
4509 281 H 8.64254 14.4452 36.1211 0.00725349 0.00445611 -0.00924049 15
4510 282 H 10.6792 13.2509 36.8706 0.00338338 0.000967899 0.0213995 15
4511 283 H 9.98519 11.7242 36.5492 -0.0105516 -0.0021045 -0.00609767 15
4512 284 H 8.34725 12.1105 38.4082 -0.00403116 0.0108213 0.0084168 15
4513 285 H 8.66187 13.8759 38.4081 -0.0162937 -0.00124935 -0.0139531 15
4514 286 H 10.9531 13.4957 39.1688 -0.0100964 0.0141606 -0.00076832 15
4515 287 H 10.6801 11.7796 39.2404 0.0125286 0.00799326 -0.00405765 15
4516 288 H 8.92133 11.887 40.7965 -0.00188876 0.00312842 0.00424953 15
4517 289 H 8.98053 13.655 40.9463 0.0024381 0.00260702 -0.00656595 15
4518 290 H 11.4073 13.2891 41.8588 0.0138537 -0.0136909 0.0129268 15
4519 291 H 11.1843 11.5676 41.6614 -0.0016337 -0.00331372 -0.0067573 15
4520 292 H 9.02081 11.8524 43.1846 0.00653236 -0.00734967 0.00139197 15
4521 293 H 9.62089 13.4707 43.5829 0.0249711 -0.000121422 0.0198764 15
4522 294 H 11.7942 12.5481 44.3832 0.00302003 -0.00695975 0.00307224 15
4523 295 H 11.1188 10.9282 44.2417 0.00158856 -0.000846216 0.00610969 15
4524 296 H 9.12343 11.7435 45.6123 -0.00492365 0.00142223 -0.00381273 15
4525 297 H 9.93267 13.2751 45.8685 0.00418057 0.00171441 0.00472648 15
4526 298 H 10.8244 10.4385 46.656 0.0135406 4.58882e-06 0.0113486 15
4527 299 H 9.92496 11.5566 47.7199 -0.00302231 -0.00530761 0.00226007 15
4528 300 H 12.7414 12.1102 46.7398 0.00482518 -0.00123919 0.0019329 15
4529 301 H 12.4202 11.4912 48.3732 0.0102203 -0.0060931 -0.0128802 15
4530 302 H 11.8352 13.1041 47.8353 -0.00809694 0.00138734 -0.00703739 15
4531 1 C 13.5127 26.8574 31.5105 0.00236999 0.000891731 0.00167511 16
4532 2 C 13.7185 26.7496 30.1312 -0.000393693 0.00359571 -0.00334758 16
4533 3 C 13.2121 25.6572 29.4609 0.00277539 -0.00318591 0.00115551 16
4534 4 C 12.5788 24.5988 30.1192 0.00336285 0.00315449 -0.000652786 16
4535 5 C 12.3594 24.695 31.5129 -0.00397429 0.00068688 0.00082736 16
4536 6 C 12.818 25.8209 32.1998 -0.000193752 0.00204891 0.00186675 16
4537 7 C 7.89328 23.4515 30.8919 -0.00137875 0.000114186 0.00224205 16
4538 8 C 8.10779 23.3384 29.4992 0.00233235 -0.00189182 -0.00382073 16
4539 9 C 9.41506 23.3757 28.9991 -0.00188578 0.000460695 0.00132383 16
4540 10 C 10.4714 23.4165 29.8828 -0.000689418 -0.000145123 -0.00399991 16
4541 11 C 10.3018 23.4995 31.2823 -0.00478316 -0.00197579 -0.00499928 16
4542 12 C 8.97547 23.5867 31.7838 -0.00293042 -0.00100822 -5.79125e-05 16
4543 13 C 13.5983 20.1026 31.6264 -0.00250338 0.000364172 0.00231564 16
4544 14 C 13.6662 20.0827 30.23 0.000171329 0.000234513 0.00111511 16
4545 15 C 13.1032 21.1307 29.5266 0.00091263 -0.00116337 0.00274689 16
4546 16 C 12.5154 22.2153 30.183 0.00367305 -0.00170924 0.000962035 16
4547 17 C 11.9305 23.3997 29.4301 0.00227923 0.00176393 0.00148132 16
4548 18 O 12.8471 20.9653 33.7275 0.0014529 0.00114641 0.00139164 16
4549 19 O 8.69805 23.7305 33.1486 -0.00202157 0.00319027 0.0047485 16
4550 20 O 12.6857 25.961 33.5699 -0.00112907 0.000869077 -0.0030306 16
4551 21 C 12.962 21.1649 32.3432 0.00200855 0.00178458 -0.00535691 16
4552 22 C 12.2478 23.4042 27.9451 0.000613422 0.00481933 -0.00112584 16
4553 23 C 12.7387 23.4243 26.8248 0.000942674 -0.00126186 -0.00121821 16
4554 24 C 13.4811 23.4317 25.5809 -0.00077446 -0.000492036 0.00304666 16
4555 25 C 14.7136 22.7492 25.5362 -0.000998191 0.000551883 0.00311909 16
4556 26 C 15.4755 22.7985 24.3652 0.00195027 0.00394913 -0.00317219 16
4557 27 C 15.0827 23.5775 23.237 0.0020716 0.00129955 -0.00505591 16
4558 28 C 13.8218 24.1787 23.2694 0.00114452 0.00217269 0.0017431 16
4559 29 C 12.9955 24.1234 24.4283 -0.00177592 0.00193304 -0.00369611 16
4560 30 C 15.8359 23.6004 22.0311 0.0027014 -0.000886782 0.000231139 16
4561 31 C 16.3052 23.6741 20.897 -0.00189782 0.00290343 -0.0011761 16
4562 32 C 14.7951 20.6067 18.3201 0.00100032 0.00309194 -0.000657254 16
4563 33 C 14.9703 20.7033 16.9468 -0.00204952 0.00134098 -0.00134313 16
4564 34 C 15.6375 21.8245 16.4328 -0.0014306 -0.00220652 0.00127084 16
4565 35 C 16.192 22.7787 17.28 0.00510623 0.00167075 -0.00167843 16
4566 36 C 16.057 22.6189 18.6619 8.02445e-05 0.000584673 -0.00339763 16
4567 37 C 15.3289 21.5408 19.1723 -0.00142026 -0.00187102 -0.00105523 16
4568 38 C 16.684 23.776 19.4632 -6.9036e-05 0.00243418 0.00306334 16
4569 39 C 20.532 24.0638 19.2717 0.000661195 0.00309536 0.00288703 16
4570 40 C 20.722 24.0866 17.8534 0.000679613 0.00288551 0.00252795 16
4571 41 C 19.6196 23.9283 17.0534 0.00268559 0.00443987 0.00178672 16
4572 42 C 18.3321 23.8283 17.601 0.00259545 0.00313156 0.000307661 16
4573 43 C 18.1429 23.825 19.0249 -0.00272829 0.0023643 -0.00400505 16
4574 44 C 19.2654 23.9148 19.857 0.00177543 -0.00411339 0.00106378 16
4575 45 C 15.441 27.397 18.8305 -0.000189626 -0.000498136 -0.00492846 16
4576 46 C 15.5261 27.4042 17.4086 0.00136955 0.00199274 0.0035823 16
4577 47 C 16.0204 26.2966 16.7105 -0.002831 -0.00125876 -0.00143473 16
4578 48 C 16.3258 25.1737 17.4342 -0.00286389 0.00168833 -0.0057765 16
4579 49 C 17.0143 23.9557 16.8337 -0.00169333 0.00208491 0.0031306 16
4580 50 C 16.1631 25.1017 18.8475 -0.000113864 -0.0010621 0.00175485 16
4581 51 C 15.7376 26.2308 19.518 -0.00226504 -0.00686578 -0.00192995 16
4582 52 O 19.8379 23.9664 15.6684 0.000846931 0.00393823 0.00578258 16
4583 53 O 15.7974 21.9801 15.0815 0.00223334 -0.00103164 -0.000878421 16
4584 54 O 16.3457 26.375 15.3656 -0.00220051 -0.00213847 0.00164195 16
4585 55 C 11.6121 23.4972 32.104 -0.00376776 0.000270186 0.00394557 16
4586 56 C 12.4117 22.2418 31.5907 0.0031586 0.00145348 -0.0006573 16
4587 57 C 19.4519 22.7719 14.8966 0.000264645 0.000946146 0.00240434 16
4588 58 C 18.629 23.1592 13.6247 -0.00154508 0.00172942 -0.0012775 16
4589 59 C 19.353 23.2128 12.2803 0.00208799 -0.000623869 0.000158074 16
4590 60 C 18.4322 23.4199 11.0835 -0.00427853 -0.00232274 -0.00309356 16
4591 61 C 19.2159 23.4503 9.77934 0.00256529 -0.000360186 -0.00322401 16
4592 62 C 18.2849 23.4284 8.54232 0.00465793 0.00144095 0.00215149 16
4593 63 C 19.0038 23.7192 7.23626 0.00291632 0.00481134 0.00227401 16
4594 64 C 18.0935 23.4251 6.04385 0.00183159 -0.00140141 0.000726282 16
4595 65 C 18.8038 23.7956 4.71399 -0.0006317 -0.00223442 -0.00147584 16
4596 66 C 17.8327 23.6099 3.53722 -0.00214994 -0.000820919 0.000443307 16
4597 67 C 18.3768 24.1537 2.19265 -0.00136147 -0.000604004 -9.53552e-05 16
4598 68 C 19.2591 23.1397 1.48737 -0.00061498 -0.00195484 0.000873397 16
4599 69 F 16.6849 22.2464 24.3136 0.000174432 -0.000382878 0.00152585 16
4600 70 C 15.2687 21.1357 14.0506 0.000165219 -0.00358837 -5.59612e-05 16
4601 71 C 15.1376 21.9547 12.7715 0.000879166 -0.00604107 0.00185369 16
4602 72 C 15.1547 21.0678 11.5075 0.0033702 -0.00125241 0.00310481 16
4603 73 C 14.9917 21.8833 10.171 -0.000257204 0.000362836 -0.00443648 16
4604 74 C 14.9987 20.9199 8.99308 -0.00109587 -0.00342755 -0.00135964 16
4605 75 C 14.9988 21.5248 7.57318 -0.00423705 -0.000795115 -0.00364857 16
4606 76 C 15.1679 20.404 6.55698 -0.00405716 -0.000978653 -0.00223405 16
4607 77 C 15.4688 20.8108 5.09169 0.0011947 0.0024637 0.00500222 16
4608 78 C 14.5236 21.8576 4.50328 -0.000453855 0.00209191 -0.00270322 16
4609 79 C 14.0943 21.5443 3.05917 0.000801803 -0.00161684 0.00310904 16
4610 80 C 15.197 21.5117 1.97772 -0.0027908 0.00224048 -0.000834864 16
4611 81 C 14.6712 21.0504 0.648623 -0.00314051 0.00367776 0.00223296 16
4612 82 C 17.7404 26.6158 15.0644 0.00216451 0.00373696 0.00281628 16
4613 83 C 18.0042 26.6768 13.5491 -0.000715616 0.0014386 -0.00178416 16
4614 84 C 17.8906 28.0707 13.0416 -0.00397205 -0.0036133 0.000769402 16
4615 85 C 18.6202 28.402 11.7223 1.55806e-05 -0.00149019 0.000467363 16
4616 86 C 18.1403 27.6428 10.4876 -0.00654231 0.000609508 0.0046765 16
4617 87 C 18.7834 28.1805 9.21577 -0.000371698 0.000746407 -0.00205042 16
4618 88 C 18.0966 27.5155 7.98298 -0.00174608 0.00103371 -0.000741555 16
4619 89 C 18.5572 28.2201 6.67563 0.00224914 -0.00186943 -0.00268236 16
4620 90 C 17.7121 27.7194 5.47522 -0.00363108 1.3026e-05 0.00167719 16
4621 91 C 18.3409 28.0844 4.10766 0.00248958 -0.00034312 -0.000211426 16
4622 92 C 17.4961 27.5896 2.94173 0.00143105 0.00294143 0.00222205 16
4623 93 C 18.161 27.7089 1.54758 0.00205825 0.00138091 -0.00566826 16
4624 94 C 7.33001 23.4868 33.6583 0.00352781 -0.00422501 -0.00190541 16
4625 95 C 7.14832 23.7781 35.1264 0.00748555 -0.00426401 -0.0018097 16
4626 96 C 5.72466 23.4326 35.5351 -0.00216373 0.000530658 -0.000431736 16
4627 97 C 5.18413 24.0111 36.8597 0.000139956 0.000116014 0.00333668 16
4628 98 C 5.83615 23.5472 38.176 -0.00464753 0.00124524 0.00354927 16
4629 99 C 5.26539 24.3604 39.3192 -0.000159209 -0.00478217 0.00296642 16
4630 100 C 6.12612 24.4494 40.5724 0.00375726 0.000253076 -0.000648439 16
4631 101 C 5.71386 23.501 41.6833 -0.00116892 -0.00344416 -0.00323585 16
4632 102 C 6.47066 23.8658 42.9511 0.00337858 -0.00192422 0.00175724 16
4633 103 C 5.9329 23.075 44.1792 0.000981826 -0.00418111 0.00225178 16
4634 104 C 6.67375 23.5898 45.4605 -0.00425205 -0.00194159 -0.00104877 16
4635 105 C 6.23113 22.7553 46.6691 -0.00116875 -0.00208783 -0.00101545 16
4636 106 C 13.2781 27.1177 34.2358 -0.00014707 0.00230406 0.000468352 16
4637 107 C 13.1716 27.092 35.7801 0.00239709 0.00208304 0.00175172 16
4638 108 C 13.8791 28.2685 36.479 0.00217134 0.00452735 -0.00138695 16
4639 109 C 14.2811 28.0251 37.9477 -0.00226 -0.00292437 0.00487344 16
4640 110 C 13.1128 28.0801 38.9008 0.0025276 0.00137201 -0.00160459 16
4641 111 C 13.5336 27.6714 40.3498 0.000772877 -0.00116104 0.00157175 16
4642 112 C 14.1911 28.8088 41.1511 -0.000428362 -0.00395059 -0.000829355 16
4643 113 C 14.3765 28.4517 42.6108 -0.00245602 0.000849741 -0.000371554 16
4644 114 C 14.4095 29.6805 43.5748 -0.00171938 0.000676797 -0.0037236 16
4645 115 C 14.3593 29.27 45.0582 0.00223709 0.00341246 -0.00170521 16
4646 116 C 13.4078 28.1198 45.3847 0.00217255 0.00288646 0.002457 16
4647 117 C 13.3082 27.8548 46.8706 -0.00225019 0.000439621 0.00266593 16
4648 118 C 13.3794 19.8082 34.4024 -0.00380155 0.0024157 0.00146624 16
4649 119 C 13.3761 20.0334 35.9163 0.00620757 -0.000571319 0.00382146 16
4650 120 C 14.11 18.9661 36.7234 -0.00250701 9.81165e-06 0.00438878 16
4651 121 C 14.1779 19.4976 38.1789 -0.000962171 0.00162738 -0.00137436 16
4652 122 C 14.4374 18.4275 39.2146 -0.0042444 -0.00304087 -0.002704 16
4653 123 C 14.8489 18.9795 40.6074 0.000683292 -0.00113311 -0.00492911 16
4654 124 C 13.823 19.9095 41.2291 0.000328714 0.00291397 7.10673e-05 16
4655 125 C 14.1765 20.3327 42.6272 -0.000634658 -0.00488679 0.000251474 16
4656 126 C 14.1175 19.2759 43.7577 -0.00262789 0.000539393 0.00238736 16
4657 127 C 14.7473 19.7478 45.0833 -0.00224095 -0.00264832 0.00161252 16
4658 128 C 14.326 18.946 46.323 0.000967198 -0.00129148 -0.00171881 16
4659 129 C 12.8618 19.2614 46.7255 0.002801 0.00168163 0.00181212 16
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4663 133 H 13.4369 25.61 28.3995 -0.0120762 0.0163482 -0.00282702 16
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4675 145 H 21.3905 24.2625 19.9064 0.00341465 -0.00873467 0.0028417 16
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4679 149 H 15.2753 28.3241 16.8887 -0.00643297 0.00120186 0.00593592 16
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4682 152 H 11.3671 23.4987 33.1733 -0.00373175 0.0076703 0.00393527 16
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4699 169 H 19.7185 23.1954 4.63377 -0.000972224 -0.0033588 0.00293845 16
4700 170 H 19.1066 24.8496 4.73997 -0.0107534 0.000763152 -0.00488954 16
4701 171 H 16.896 24.1439 3.73958 0.00246124 0.00410589 0.00880402 16
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4710 180 H 14.1534 22.4376 12.7322 -0.00393327 -0.015573 0.00512995 16
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4737 207 H 16.8325 28.3587 13.0128 -0.00506764 -0.00608864 0.0158168 16
4738 208 H 18.2803 28.7539 13.8064 -0.00898423 -0.0137968 0.0124227 16
4739 209 H 18.4516 29.4672 11.5215 -0.010137 -0.00216162 0.00546126 16
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4741 211 H 18.3766 26.5766 10.5916 0.00682524 0.00255567 -0.00582506 16
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4744 214 H 19.8434 27.8983 9.2033 0.00101585 0.00616372 -0.00608684 16
4745 215 H 18.2685 26.4411 7.84347 0.00713343 0.00151551 0.00669959 16
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4750 220 H 16.6469 27.978 5.5179 -0.00257644 0.00450349 0.000528447 16
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4752 222 H 19.352 27.679 3.97877 -0.00209355 -0.0161612 0.0139393 16
4753 223 H 17.2118 26.5437 3.11112 0.00381286 0.00343982 0.00927638 16
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4793 263 H 12.6118 27.3614 40.8573 0.000778228 0.00643606 0.00619949 16
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4798 268 H 15.2762 27.8289 42.6888 -0.00466623 -0.00264293 -0.00270206 16
4799 269 H 15.3047 30.2926 43.4096 0.00159203 -0.00244041 0.00269437 16
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4802 272 H 14.122 30.1259 45.702 0.00505986 -0.0049793 0.0105143 16
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4805 275 H 12.8225 26.8768 46.9764 -0.0139264 0.00607749 0.00132336 16
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4808 278 H 12.7916 18.9117 34.1693 -0.00711563 0.00363724 0.00513033 16
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4813 283 H 13.5423 18.0278 36.6996 0.000666305 -0.0017679 -0.00121346 16
4814 284 H 13.2458 19.9889 38.4842 -0.00170119 -0.00191406 0.00207209 16
4815 285 H 14.9172 20.298 38.3059 -0.00339304 0.00228519 0.00881287 16
4816 286 H 15.1968 17.7081 38.8841 0.0134303 0.00815883 0.0135444 16
4817 287 H 13.5242 17.8333 39.3427 -0.00755771 0.00241429 -0.00106284 16
4818 288 H 15.7578 19.5852 40.5042 -0.00973234 0.0139908 -0.00833377 16
4819 289 H 15.0447 18.12 41.2604 0.000212717 -0.00539224 -0.010383 16
4820 290 H 12.8456 19.4136 41.2762 0.00623018 -0.00873321 -0.000132846 16
4821 291 H 13.702 20.8203 40.6298 -0.00899874 0.00905851 0.0112692 16
4822 292 H 13.4757 21.1179 42.9363 -0.00170519 -0.00986108 0.0104834 16
4823 293 H 15.1527 20.8328 42.6447 -0.00107397 -0.00402722 0.000249156 16
4824 294 H 14.5816 18.3356 43.4354 -0.00459416 0.00238275 -0.00584414 16
4825 295 H 13.043 19.089 43.875 -0.00501465 0.00850356 -0.00659097 16
4826 296 H 14.5244 20.8042 45.2773 0.00796891 -0.00105206 0.00476407 16
4827 297 H 15.8414 19.7776 45.0094 -0.00205881 0.00754129 0.00803728 16
4828 298 H 14.98 19.2489 47.1499 -0.0003435 -0.00189181 -0.000462426 16
4829 299 H 14.4586 17.8708 46.1503 0.00998139 -0.00138894 0.00582572 16
4830 300 H 12.5816 18.7208 47.638 0.0117105 -0.00576562 0.000152185 16
4831 301 H 12.207 18.9578 45.8994 -0.0073709 0.00122141 0.0100708 16
4832 302 H 12.7358 20.3452 46.839 -0.00425336 0.00116188 -0.00104658 16
4833 1 C 17.5757 20.1248 31.2317 0.00409534 -0.00207135 -0.00672839 17
4834 2 C 17.7745 20.0003 29.8389 0.00126181 -0.00122709 0.00143955 17
4835 3 C 17.2795 18.8561 29.2011 -0.00104833 0.00208779 -0.000770742 17
4836 4 C 16.5051 17.89 29.917 -0.00159269 -0.000285745 0.00050661 17
4837 5 C 16.3719 18.0165 31.3332 0.000875228 -0.00244675 0.0018277 17
4838 6 C 16.8961 19.1702 31.9963 0.00548223 0.00440025 -0.00202087 17
4839 7 C 11.8464 16.775 30.7653 -0.000668953 -0.00213608 0.000972752 17
4840 8 C 12.0221 16.5539 29.3964 -0.00188619 0.00907695 -0.0032677 17
4841 9 C 13.3222 16.5053 28.8663 -0.00120794 -0.00549928 -0.00343889 17
4842 10 C 14.4055 16.6304 29.7469 -0.00161099 0.00105321 -0.00122044 17
4843 11 C 14.2017 16.7998 31.1323 0.00211836 -0.000211724 0.000182896 17
4844 12 C 12.9102 16.8288 31.6584 -0.00148606 -0.000341412 -0.00178114 17
4845 13 C 17.5522 13.4489 31.7288 0.00138116 0.00181313 -0.000573174 17
4846 14 C 17.749 13.4298 30.3406 0.000506578 0.00921828 -0.000103579 17
4847 15 C 17.2363 14.4203 29.5357 -0.00149712 -0.00201426 0.00438732 17
4848 16 C 16.5294 15.4944 30.1236 -0.000285431 -0.00331749 0.00157061 17
4849 17 C 15.8841 16.6366 29.3138 0.00311134 0.00621881 0.0056968 17
4850 18 O 16.6521 14.4606 33.7314 -0.00232359 -0.00430508 0.00170538 17
4851 19 O 12.6741 16.8268 33.0323 0.000825413 -0.00223093 -0.00164044 17
4852 20 O 16.7717 19.3014 33.37 0.00406428 -0.0012893 -0.00441875 17
4853 21 C 16.8469 14.5068 32.3601 0.000798756 0.00363832 0.00464891 17
4854 22 C 16.1827 16.5424 27.8892 -6.38739e-05 -0.00131322 -0.00301799 17
4855 23 C 16.6365 16.4855 26.7787 0.00120269 0.000330296 0.00170796 17
4856 24 C 17.455 16.5354 25.609 -0.00323964 -0.00150897 0.000339473 17
4857 25 C 18.4998 15.6144 25.4803 0.00435636 -0.000859229 -0.00279323 17
4858 26 C 19.448 15.7606 24.4279 -0.000291883 -0.00230328 -0.0047493 17
4859 27 C 19.334 16.8625 23.5352 0.00263615 0.000950379 0.0023117 17
4860 28 C 18.3101 17.7921 23.6582 -0.00180731 -0.00187423 0.000253016 17
4861 29 C 17.3625 17.5828 24.6753 0.00104957 -0.00136099 0.000229344 17
4862 30 C 20.1081 16.9632 22.344 -0.0023954 -0.00567693 0.00209032 17
4863 31 C 20.5897 17.073 21.2237 -0.00163359 0.000833796 0.000617673 17
4864 32 C 19.2835 13.7111 18.8834 -0.00167655 -0.00139468 -0.00228962 17
4865 33 C 19.4504 13.7519 17.4639 -0.00216057 0.00358948 0.00120308 17
4866 34 C 20.0492 14.859 16.832 -0.000685611 0.000616547 0.00121601 17
4867 35 C 20.3215 15.9923 17.6105 -0.00422108 0.000189888 0.00109289 17
4868 36 C 20.2132 15.962 19.0408 -0.000812081 -0.00255316 0.00494143 17
4869 37 C 19.655 14.812 19.6478 0.00353107 0.00389028 -0.000670399 17
4870 38 C 20.8078 17.1947 19.7544 0.00115478 -0.00225442 0.00310647 17
4871 39 C 24.5989 16.8961 19.2385 0.00516628 -0.00134335 -0.00265556 17
4872 40 C 24.6164 16.96 17.8229 0.00140132 -0.00244571 -0.00613846 17
4873 41 C 23.4308 17.1602 17.1072 -0.000346092 -0.00377533 3.28954e-05 17
4874 42 C 22.2799 17.3229 17.8076 -0.00298018 -6.66854e-05 0.00469775 17
4875 43 C 22.2259 17.1742 19.2109 -6.79482e-05 0.0026889 -0.00411462 17
4876 44 C 23.38 17.0351 19.9604 -0.000988083 -0.00268365 -0.00271548 17
4877 45 C 18.6818 20.3909 19.2029 -0.00052158 -0.000132459 -5.52208e-06 17
4878 46 C 18.7343 20.4167 17.8075 -0.0029864 0.00276459 0.00195251 17
4879 47 C 19.4925 19.4642 17.0647 -0.00133537 0.00214544 -0.000582183 17
4880 48 C 20.1305 18.4297 17.7484 0.00022784 -0.00246526 -0.00326986 17
4881 49 C 20.9396 17.2972 17.0921 0.00402654 0.00281973 -0.00354656 17
4882 50 C 20.0414 18.3661 19.1389 0.00362876 -0.00553983 0.00468493 17
4883 51 C 19.3586 19.3516 19.8478 0.00272873 0.00343935 0.0012305 17
4884 52 O 23.4447 17.0715 15.7398 -0.00278829 -0.0024808 -0.00455475 17
4885 53 O 20.1242 14.9629 15.4389 0.000218776 6.75027e-05 0.0007668 17
4886 54 O 19.5208 19.5378 15.6768 -0.00327685 -0.000144171 0.00176503 17
4887 55 C 15.5635 16.8132 31.9248 -0.0033792 0.00557226 -0.00190158 17
4888 56 C 16.3477 15.5794 31.5558 0.00133152 0.00223011 0.00342005 17
4889 57 C 24.355 17.8374 14.9521 0.000440106 0.00288281 0.000143089 17
4890 58 C 23.8854 17.9492 13.4497 -0.00105228 0.00214604 0.000256287 17
4891 59 C 22.7731 16.9824 12.9958 0.00140638 -0.00018043 -0.00265698 17
4892 60 C 22.2179 17.366 11.5679 -0.00586227 -0.00241752 0.000451383 17
4893 61 C 23.0265 16.8177 10.3963 0.000988109 -0.00236459 0.00081127 17
4894 62 C 22.6334 17.5498 9.05929 0.00372795 0.00140066 0.00110812 17
4895 63 C 23.0325 16.7055 7.83425 -0.00288846 -0.000214741 -0.00146039 17
4896 64 C 22.8432 17.4977 6.5242 -0.00154905 -0.00387343 5.54776e-06 17
4897 65 C 23.0602 16.6815 5.20523 0.00116313 -0.000414747 0.00511653 17
4898 66 C 23.3458 17.5563 3.96163 -0.0030686 -0.00211098 -0.00322592 17
4899 67 C 23.6181 16.7471 2.65046 -0.00192634 0.0033406 0.011033 17
4900 68 C 22.3053 16.4362 1.86938 0.00277887 0.0022653 -0.00146607 17
4901 69 F 20.457 14.8881 24.3275 0.00189605 -0.00230182 0.00519838 17
4902 70 C 21.2136 14.4225 14.6603 0.00156463 -0.00114653 0.000401086 17
4903 71 C 21.2647 12.8978 14.6413 -0.000332199 -0.00135648 0.000749228 17
4904 72 C 22.2407 12.3872 13.5489 -0.0029352 0.00208756 0.00297152 17
4905 73 C 21.9298 12.5944 12.0301 0.00178953 0.0042852 0.00148064 17
4906 74 C 23.0714 11.8679 11.259 -0.00230384 -0.00224918 0.000102076 17
4907 75 C 22.7484 11.4929 9.80404 -0.00516484 0.00476133 0.000612913 17
4908 76 C 22.826 12.6156 8.76251 0.00227542 -0.0023636 -0.00396028 17
4909 77 C 22.597 11.9691 7.37071 0.00255453 0.00187915 0.00101874 17
4910 78 C 22.8282 12.9416 6.23524 -0.00433491 -0.00148643 -0.000200915 17
4911 79 C 22.4331 12.2981 4.86425 0.00370912 -0.00221331 -0.00456323 17
4912 80 C 22.5041 13.3479 3.73684 -0.00218785 0.00591526 -0.00158757 17
4913 81 C 22.166 12.7645 2.38078 0.00185018 0.000211843 -0.0014419 17
4914 82 C 18.2939 19.4128 14.9215 0.0052388 0.00017019 0.000651848 17
4915 83 C 18.6425 19.6581 13.4527 0.00217537 -0.00115898 0.00449662 17
4916 84 C 19.2314 18.4102 12.7356 0.00340487 0.00148587 -0.0020311 17
4917 85 C 18.8319 18.3369 11.2494 -5.0005e-05 -0.000210579 0.0031891 17
4918 86 C 19.3142 19.4388 10.2831 -0.000948764 0.00195693 -0.00451286 17
4919 87 C 18.8639 19.0823 8.83224 0.00253994 0.00135901 -0.00219261 17
4920 88 C 19.5808 19.7901 7.68741 0.00116516 0.00403583 0.00242974 17
4921 89 C 19.1375 19.3406 6.25738 0.00199949 -0.00408036 -0.00232425 17
4922 90 C 19.8935 20.1932 5.22504 0.00110339 -0.00490652 0.000997065 17
4923 91 C 19.2899 20.1646 3.80123 0.000551093 0.00683135 -0.000588934 17
4924 92 C 19.3844 18.8272 3.06175 -0.00198491 0.000527713 0.000578208 17
4925 93 C 18.9633 19.0984 1.59515 -0.00200056 -0.000371679 0.00182875 17
4926 94 C 11.2995 16.9831 33.4986 -0.000575833 -0.0052008 -0.000513399 17
4927 95 C 11.1778 16.7069 35.011 -0.00157639 0.00336822 -0.00103689 17
4928 96 C 9.73707 16.9733 35.5819 0.00251696 -0.00131927 -0.00145224 17
4929 97 C 9.64016 16.8284 37.0931 -0.00112448 -0.00111739 0.00189026 17
4930 98 C 10.518 17.7962 37.9021 0.000314304 0.00471911 -0.00487007 17
4931 99 C 10.1529 17.7419 39.4001 -0.00529605 0.00104498 -0.000748101 17
4932 100 C 9.99539 16.3513 40.0307 -1.40282e-05 -0.00130667 -0.00388035 17
4933 101 C 9.79754 16.4227 41.5507 0.00238314 -0.00164823 0.00100025 17
4934 102 C 11.1173 16.8826 42.2864 0.00180421 0.00347551 -0.00166707 17
4935 103 C 11.2014 16.4987 43.7734 -7.39027e-05 -0.0041829 0.00075313 17
4936 104 C 10.1475 17.1103 44.6753 -0.00378083 0.0044032 0.00171386 17
4937 105 C 10.2773 16.7131 46.1846 -0.000680427 -0.000875317 0.00251943 17
4938 106 C 17.5863 20.2631 34.0446 0.00188704 0.00153354 -0.00198795 17
4939 107 C 17.1048 20.5286 35.5096 -0.00127653 0.00256122 -7.32297e-05 17
4940 108 C 17.842 21.7412 36.1235 0.00104997 -0.000286882 0.00110832 17
4941 109 C 17.5485 21.9596 37.6371 -0.00467479 -0.000487121 -0.000597344 17
4942 110 C 17.9776 20.7253 38.4469 -0.000939067 -0.00383816 -0.00409075 17
4943 111 C 18.3538 21.0728 39.9091 -0.00487214 -0.00134277 0.00171056 17
4944 112 C 17.3951 21.9995 40.6937 0.0014254 0.00180382 0.00582441 17
4945 113 C 17.8565 22.2201 42.1159 -0.000602549 -0.000703796 0.00366189 17
4946 114 C 18.1429 20.9703 43.0298 0.00136637 -0.000613135 0.00212986 17
4947 115 C 18.6982 21.3379 44.4357 -0.00124544 0.00243633 -8.51099e-05 17
4948 116 C 17.8181 22.2714 45.2592 0.00128743 -0.000542136 -0.00527845 17
4949 117 C 18.1508 22.192 46.7606 -0.00217943 -0.00127935 0.00511617 17
4950 118 C 17.3354 13.4313 34.5499 -0.00388106 0.0021373 -0.00076075 17
4951 119 C 16.8943 13.3453 36.0058 -0.00102985 0.000758437 -0.000511258 17
4952 120 C 17.8306 12.519 36.941 0.00302928 0.00428132 0.00249812 17
4953 121 C 17.1738 12.2554 38.3143 -0.00157228 0.000970598 0.00382717 17
4954 122 C 18.2054 12.132 39.4546 0.00349185 0.00200752 0.00187178 17
4955 123 C 17.4558 11.8762 40.7613 -0.000166907 -0.0017737 -0.00250508 17
4956 124 C 18.2032 12.4002 41.984 0.00175813 0.00243594 -0.00403598 17
4957 125 C 17.4912 11.9583 43.2866 0.00382646 -0.00140032 0.00430627 17
4958 126 C 18.1254 12.5923 44.5431 -0.00074547 0.00349426 0.00125947 17
4959 127 C 17.484 11.9422 45.7765 7.99595e-05 0.00129616 0.000657255 17
4960 128 C 18.2262 12.2893 47.0335 0.000201964 0.000327203 -0.00327422 17
4961 129 C 17.5188 11.8315 48.3115 0.00423853 -0.00181903 0.00278012 17
4962 130 F 18.6774 14.6213 26.3907 -0.00189703 -0.0017221 0.00319125 17
4963 131 H 18.0024 21.0168 31.6808 0.00623873 -0.0127099 0.0123299 17
4964 132 H 18.3834 20.7098 29.2865 0.0049029 -0.00725967 -0.00230703 17
4965 133 H 17.5114 18.7224 28.1486 0.00210444 -0.00401024 0.000693171 17
4966 134 H 10.81 16.8843 31.0708 -0.00515859 0.00946174 -0.0182739 17
4967 135 H 11.1584 16.5209 28.7389 -0.00714944 0.00987165 0.00360062 17
4968 136 H 13.4598 16.4568 27.7902 -0.0144396 -0.0065524 -0.00509045 17
4969 137 H 18.0357 12.6442 32.2746 0.00985287 0.0058517 -0.00210283 17
4970 138 H 18.3221 12.6182 29.9021 0.00938391 0.00855668 0.0126733 17
4971 139 H 17.3613 14.3404 28.4599 0.0071258 -0.00459867 0.00558807 17
4972 140 H 18.2422 18.6431 22.9869 0.00421058 -0.00236126 -0.000977315 17
4973 141 H 16.5561 18.3089 24.7189 0.0118418 0.0120657 -0.0223292 17
4974 142 H 18.8364 12.8441 19.3607 0.00289805 -0.00986009 -0.0133657 17
4975 143 H 19.1674 12.9152 16.8321 0.00474186 -0.00239872 0.00606165 17
4976 144 H 19.5155 14.7621 20.7237 0.00612481 0.0145017 0.000164106 17
4977 145 H 25.5392 16.81 19.775 0.00507135 -0.00912513 -0.00376666 17
4978 146 H 25.5329 16.7289 17.2881 0.0100523 0.000163329 0.00756818 17
4979 147 H 23.3515 16.9206 21.04 -0.00448988 -0.00256824 -0.00279664 17
4980 148 H 18.0852 21.1078 19.7593 0.00326555 0.00420636 -0.0015388 17
4981 149 H 18.0937 21.0965 17.2535 -0.00368936 -0.00898871 -0.0117214 17
4982 150 H 20.9759 17.3888 15.9995 0.0101402 -0.00723609 -0.00417714 17
4983 151 H 19.3684 19.3776 20.9335 0.0081305 0.00526134 0.00114264 17
4984 152 H 15.449 16.926 33.01 0.00239546 -0.0132169 0.00064358 17
4985 153 H 24.372 18.8715 15.3179 0.000908252 0.00850235 -0.0156715 17
4986 154 H 25.3814 17.4503 14.9452 -0.00374636 -0.00811318 -0.00554946 17
4987 155 H 24.7227 17.8536 12.7475 0.00181058 -0.00298083 0.00437459 17
4988 156 H 23.5337 18.9826 13.3412 -0.000228888 0.0016515 -0.00708068 17
4989 157 H 21.9081 17.073 13.6644 -0.000989728 0.00211631 -0.00605505 17
4990 158 H 23.0746 15.9278 13.0138 0.00951445 0.00240166 0.0124621 17
4991 159 H 22.1784 18.4618 11.5353 -0.00262237 -0.00249241 -0.00565378 17
4992 160 H 21.1821 17.0174 11.4742 -0.0072837 0.00142462 0.00180747 17
4993 161 H 22.8711 15.735 10.3122 -0.00274038 -0.00178702 0.000292734 17
4994 162 H 24.0963 16.9652 10.5888 0.00124016 -0.00853319 0.00414263 17
4995 163 H 23.1576 18.5121 9.00755 -0.00473779 0.00537973 -0.0106738 17
4996 164 H 21.5673 17.8053 9.0984 0.00665923 0.0127199 0.00774907 17
4997 165 H 22.4612 15.7744 7.73414 -0.00879481 0.0039818 -0.00688458 17
4998 166 H 24.0904 16.4173 7.86766 -0.00202614 0.00515876 0.0162926 17
4999 167 H 23.5543 18.3307 6.58642 -0.00219904 -0.00334073 0.000304769 17
5000 168 H 21.8239 17.9031 6.52549 0.000530812 0.00138696 -0.0276436 17
5001 169 H 22.1755 16.0653 5.00235 0.00649118 -0.00128776 -0.015498 17
5002 170 H 23.855 15.9477 5.3876 0.0124448 0.00686711 -0.0150091 17
5003 171 H 24.2255 18.1895 4.13069 -0.00108548 -0.00659726 0.00319331 17
5004 172 H 22.5151 18.2507 3.7853 0.000102391 0.000268155 -0.0088191 17
5005 173 H 24.1165 15.7877 2.83671 0.0078952 0.00337831 -0.0150002 17
5006 174 H 24.2435 17.3526 1.98291 -0.0112075 -0.00861527 -0.00850822 17
5007 175 H 21.6126 15.8101 2.44518 0.000734732 -0.00650789 -0.0134606 17
5008 176 H 22.6342 15.8896 0.97699 0.00997551 0.00199909 0.00133765 17
5009 177 H 21.7756 17.322 1.49756 0.00606296 0.00397918 -0.00205741 17
5010 178 H 21.0549 14.7922 13.6397 0.00409877 -0.00690624 -0.00207016 17
5011 179 H 22.1628 14.8616 14.9913 0.00255534 0.00329299 -0.0082836 17
5012 180 H 21.5998 12.5513 15.6267 -0.00582436 -0.00353969 0.00184304 17
5013 181 H 20.2814 12.4571 14.4357 -0.00148333 -0.00204474 0.00774931 17
5014 182 H 23.1984 12.8962 13.7139 -0.00557695 0.00390922 0.012624 17
5015 183 H 22.4514 11.3291 13.7472 -0.00866845 -0.00132022 -0.00912673 17
5016 184 H 20.98 12.1456 11.714 0.00390952 0.00122561 -0.000560217 17
5017 185 H 21.9711 13.6582 11.7656 -0.00673012 0.00419943 -0.000139642 17
5018 186 H 23.9652 12.5031 11.2885 0.000945734 -0.00601943 -0.0176113 17
5019 187 H 23.223 10.9332 11.813 0.00570544 0.00454774 0.00937333 17
5020 188 H 23.4738 10.7182 9.52651 -0.00808212 -0.000720568 0.00828271 17
5021 189 H 21.7533 11.0335 9.75984 0.00481793 -0.0154357 -0.0140515 17
5022 190 H 22.0611 13.3855 8.92262 -0.00703378 -0.0120108 -0.00192196 17
5023 191 H 23.8444 13.0228 8.78296 0.00104188 -7.93622e-05 0.01137 17
5024 192 H 23.2468 11.1013 7.20309 0.00661069 0.00171402 0.0176995 17
5025 193 H 21.6031 11.5049 7.37091 0.00896217 -0.0119107 0.00254047 17
5026 194 H 22.1928 13.8276 6.35636 0.000808839 0.00274549 -0.00414212 17
5027 195 H 23.8698 13.2853 6.25085 -0.00263806 -0.00705995 0.00936385 17
5028 196 H 23.109 11.4515 4.69095 -0.00695709 -0.00918457 -0.0119592 17
5029 197 H 21.3959 11.9424 4.89519 0.00415366 -0.00224758 0.00986651 17
5030 198 H 21.7587 14.1082 4.00095 -0.00211378 0.00971685 -0.0123862 17
5031 199 H 23.4788 13.8497 3.69797 0.000444372 0.00179978 0.0114404 17
5032 200 H 22.1395 13.5377 1.60304 0.00264813 0.00363125 0.00193192 17
5033 201 H 22.9622 12.0661 2.09496 0.00640309 -0.000159905 0.0121316 17
5034 202 H 21.2189 12.2144 2.44098 -0.000812466 0.00504657 0.000849635 17
5035 203 H 17.888 18.4142 15.1254 -0.004705 0.00321014 -0.00434593 17
5036 204 H 17.575 20.1687 15.261 0.00173557 -0.00506509 0.00488965 17
5037 205 H 17.7448 20.0282 12.9422 0.00848638 -0.00369802 -0.00843217 17
5038 206 H 19.3701 20.4737 13.3592 0.00311297 -0.00297274 -0.00409947 17
5039 207 H 20.3219 18.3919 12.8535 0.00344017 0.00262224 -0.00218977 17
5040 208 H 18.8397 17.4925 13.1914 -0.00499456 0.00992168 0.00772878 17
5041 209 H 19.1741 17.3687 10.8635 0.00553271 0.000171665 0.00716504 17
5042 210 H 17.7354 18.3573 11.2228 0.000112557 0.00554533 0.000818759 17
5043 211 H 18.8522 20.3875 10.583 0.00302326 -0.000797315 0.0103405 17
5044 212 H 20.394 19.6034 10.3848 -0.000773166 -0.00418787 0.00352168 17
5045 213 H 19.0135 18.0105 8.65268 0.00344473 0.00092972 0.00112315 17
5046 214 H 17.7889 19.285 8.75003 0.00068736 -0.00120149 0.0156884 17
5047 215 H 19.447 20.8656 7.85708 -0.00541127 0.00247932 0.0071539 17
5048 216 H 20.6534 19.5741 7.76765 -0.0011669 -0.0102549 -0.00469408 17
5049 217 H 19.3037 18.2839 6.01414 0.000257188 -0.00473848 -0.000634817 17
5050 218 H 18.0794 19.6254 6.20638 0.00568063 0.0103081 0.000719994 17
5051 219 H 19.9964 21.2143 5.61247 0.00162043 0.000909426 -0.0145233 17
5052 220 H 20.9179 19.8059 5.16169 0.0100666 0.0190021 -0.000267785 17
5053 221 H 18.2194 20.4026 3.83088 0.000679381 0.00787001 -0.00431985 17
5054 222 H 19.8086 20.9387 3.22233 0.00307261 0.00567379 0.000119553 17
5055 223 H 20.4071 18.4373 3.13673 -0.00307205 -0.00077032 0.00873673 17
5056 224 H 18.7028 18.0802 3.48693 -0.00218571 0.00225023 0.00327437 17
5057 225 H 17.9115 19.409 1.57031 -0.00363715 -0.00656071 -0.00599241 17
5058 226 H 19.6038 19.8773 1.16337 0.0130153 -0.0111696 0.00457555 17
5059 227 H 19.1002 18.2051 0.97329 -0.000854628 0.00565666 -0.00658279 17
5060 228 H 10.9564 18.0016 33.2784 0.012426 0.00174193 0.0113154 17
5061 229 H 10.6744 16.2371 32.9925 -0.00196736 -0.000811336 -0.00525697 17
5062 230 H 11.4671 15.6912 35.3079 -0.00932878 0.00429431 0.00973624 17
5063 231 H 11.8824 17.4274 35.4445 0.00798961 0.00208807 -0.0143938 17
5064 232 H 9.47799 17.9951 35.2781 -0.00302869 -0.00284027 -0.00180856 17
5065 233 H 8.96726 16.3399 35.1241 -0.00726873 0.00525644 0.00588112 17
5066 234 H 8.60841 16.9049 37.4578 -0.0020884 -0.00155494 -0.000757038 17
5067 235 H 9.9088 15.7814 37.2803 -0.00962931 -0.00646949 -0.0155601 17
5068 236 H 11.5863 17.5945 37.7553 0.00126839 0.0137813 -0.0103632 17
5069 237 H 10.3564 18.8062 37.5056 0.00292513 0.00573986 -0.00333206 17
5070 238 H 10.8143 18.399 39.9781 0.00390178 -0.00678862 -0.00240691 17
5071 239 H 9.17469 18.2322 39.4785 0.00318356 0.0185459 -0.00428516 17
5072 240 H 9.09014 15.8729 39.637 -0.00601339 -0.00547836 0.0149144 17
5073 241 H 10.8819 15.7445 39.8089 0.00543073 0.00721293 -0.00546591 17
5074 242 H 9.0037 17.146 41.7743 0.00795725 0.00376286 0.00333591 17
5075 243 H 9.49889 15.4312 41.9129 0.019887 -0.00332016 0.0108631 17
5076 244 H 11.9768 16.404 41.8011 -0.0142347 -0.0081439 -0.0186388 17
5077 245 H 11.233 17.9728 42.248 -0.00686515 0.00478161 0.0087217 17
5078 246 H 11.2443 15.4118 43.9154 -0.00541714 -0.004547 -0.000504563 17
5079 247 H 12.1883 16.8385 44.1112 0.000466398 -0.00482452 -0.000174537 17
5080 248 H 10.1577 18.2029 44.5769 0.00483007 0.00351758 -0.00716604 17
5081 249 H 9.19055 16.767 44.2633 -0.0132922 0.0180202 0.0125245 17
5082 250 H 9.4158 17.0811 46.7554 0.000536964 -0.00529046 0.00720541 17
5083 251 H 10.2446 15.6197 46.268 0.0066429 -0.002105 -0.0107454 17
5084 252 H 11.226 17.0255 46.6383 -0.00324951 -0.00419302 0.0101774 17
5085 253 H 18.626 19.915 34.08 0.000222874 -0.00244688 0.00807034 17
5086 254 H 17.5466 21.2533 33.5742 -0.00232223 0.00510976 0.00586855 17
5087 255 H 16.0239 20.7099 35.4624 0.00318827 0.0258952 -0.0125411 17
5088 256 H 17.2729 19.6274 36.1121 0.00168468 0.00253754 -0.000932579 17
5089 257 H 18.9267 21.6122 36.0224 -0.000311507 -0.00356657 -0.00925002 17
5090 258 H 17.6429 22.6454 35.5351 -0.00741565 0.00402899 0.0106039 17
5091 259 H 18.0874 22.8118 38.0691 0.000495006 -0.00942599 0.0106814 17
5092 260 H 16.4775 22.1239 37.8085 -0.000145185 0.0254244 0.0027375 17
5093 261 H 17.1719 19.9811 38.4267 0.000648836 -0.00588234 0.00789465 17
5094 262 H 18.894 20.3078 38.0117 0.0042561 -0.00542992 0.00835098 17
5095 263 H 18.4401 20.1039 40.4163 0.00467892 -0.000784077 0.00115042 17
5096 264 H 19.3552 21.5207 39.9158 0.000387018 -0.0130536 -0.00190089 17
5097 265 H 17.3837 22.9873 40.2168 -0.00910228 0.00185586 0.00618918 17
5098 266 H 16.3495 21.6686 40.7182 -0.00525514 0.0228641 0.00658186 17
5099 267 H 18.7816 22.8055 42.0463 0.000865649 -0.00431358 -0.00723506 17
5100 268 H 17.1174 22.8572 42.6172 -0.003736 0.00537295 -0.0087051 17
5101 269 H 17.243 20.3538 43.1455 -0.000149101 0.000128856 -0.00573081 17
5102 270 H 18.9293 20.3531 42.5781 -0.0045663 -0.00801536 0.00192271 17
5103 271 H 18.8739 20.3998 44.9766 -0.00903034 0.00553052 0.00779828 17
5104 272 H 19.6692 21.8441 44.3705 -0.00214087 0.00284984 -0.0100138 17
5105 273 H 17.9277 23.2835 44.8503 -0.00925792 0.00418276 0.00359727 17
5106 274 H 16.7627 21.9911 45.1545 0.000486338 0.00934252 -0.023521 17
5107 275 H 17.3535 22.7243 47.2938 -0.00433502 0.00328953 -0.00265394 17
5108 276 H 18.1415 21.1593 47.1304 -0.0100819 -0.000121036 0.00816395 17
5109 277 H 19.1086 22.6432 47.048 0.0010546 -0.00633148 0.00225297 17
5110 278 H 17.2025 12.4493 34.0794 0.00843697 0.00292176 -0.00594233 17
5111 279 H 18.4108 13.6258 34.4539 -0.000271075 -0.010201 0.0150118 17
5112 280 H 15.916 12.8521 36.0611 -0.00420405 0.00681767 -0.00283679 17
5113 281 H 16.7729 14.3312 36.4712 -0.00626893 -0.0039628 0.00815259 17
5114 282 H 18.7587 13.0594 37.1644 -0.0018264 0.00764185 0.014601 17
5115 283 H 18.0747 11.5552 36.4775 0.00908321 0.00540809 0.00335823 17
5116 284 H 16.4828 11.4039 38.3459 0.00513808 -0.00472539 -0.00361507 17
5117 285 H 16.5732 13.1352 38.5765 -0.00876463 -0.00532208 0.00846134 17
5118 286 H 18.7059 13.1059 39.5219 0.00435123 0.00193152 -0.00340691 17
5119 287 H 18.9035 11.332 39.1787 -0.00630693 -0.00318464 -0.00799462 17
5120 288 H 17.2502 10.8123 40.9325 -0.00931347 -0.000141639 -0.00330904 17
5121 289 H 16.457 12.325 40.6945 0.0024377 0.00412919 -0.00166325 17
5122 290 H 18.3046 13.4923 42.0013 -0.00336614 0.00305582 -0.0150367 17
5123 291 H 19.2478 12.0683 41.939 -0.00224153 -0.00978476 -0.00626961 17
5124 292 H 17.5122 10.8631 43.3466 -0.00547257 -0.0019232 -0.00186842 17
5125 293 H 16.4293 12.23 43.2422 0.00078062 -0.0129085 0.00650758 17
5126 294 H 17.9349 13.6711 44.4863 0.00174348 0.0036086 -0.0051107 17
5127 295 H 19.2124 12.4469 44.5126 0.00021917 0.00870897 0.0111105 17
5128 296 H 17.4456 10.8547 45.6377 -0.0159441 0.00262532 -0.00537688 17
5129 297 H 16.4698 12.3437 45.893 -0.00170358 -0.000278646 -0.00954994 17
5130 298 H 18.2098 13.3849 47.0846 0.000931791 -0.000636751 0.0176217 17
5131 299 H 19.2308 11.8578 46.9438 0.00204902 0.00373811 0.00109073 17
5132 300 H 17.3118 10.7546 48.2857 0.0073644 -0.00222533 -0.00532851 17
5133 301 H 16.5549 12.3553 48.3189 0.0047564 -0.00106798 0.0134334 17
5134 302 H 18.1182 12.079 49.1963 0.000620902 0.0060758 0.00302382 17
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5136 2 C 21.4678 26.9691 30.2844 0.000211125 0.00045882 -0.000607568 18
5137 3 C 20.967 25.897 29.5943 0.00079136 -0.00255593 -0.00224979 18
5138 4 C 20.3128 24.8278 30.3107 0.000122018 -0.00138432 0.00228735 18
5139 5 C 20.1829 24.893 31.7229 -0.00122032 0.00251527 0.000351939 18
5140 6 C 20.7045 26.0159 32.4301 0.00175932 0.0022206 0.000935706 18
5141 7 C 15.7488 23.5083 31.0271 -0.0004203 0.00516341 0.00155723 18
5142 8 C 15.9514 23.5115 29.6655 0.000266132 0.000502622 -8.76316e-05 18
5143 9 C 17.2436 23.4778 29.1703 -0.000814495 -0.00543 -0.000256022 18
5144 10 C 18.3189 23.5188 30.0725 -0.00140726 0.00104779 -0.00280875 18
5145 11 C 18.1219 23.5361 31.4573 0.00078288 9.68065e-05 0.00658778 18
5146 12 C 16.7938 23.5085 31.9542 -0.00208857 -0.000298991 -0.00385365 18
5147 13 C 21.5286 20.2984 31.7571 -0.00776509 0.00164612 0.000567261 18
5148 14 C 21.7032 20.3471 30.3696 0.00474745 -0.000796426 0.00325871 18
5149 15 C 21.1724 21.4057 29.6628 -0.00376608 0.000184276 0.00170816 18
5150 16 C 20.4348 22.3846 30.3443 -0.00672448 0.0017867 -0.0013319 18
5151 17 C 19.7407 23.5747 29.6638 -0.000954911 -0.00315664 0.00137795 18
5152 18 O 20.6332 21.1659 33.8807 0.00207747 -0.000666299 -5.948e-05 18
5153 19 O 16.5324 23.6017 33.3023 -8.43548e-05 -0.000199269 -0.00198987 18
5154 20 O 20.5326 26.21 33.8216 0.000968769 -0.0021825 -0.000347179 18
5155 21 C 20.8204 21.3237 32.504 -0.00318572 -0.000499742 -0.00167422 18
5156 22 C 20.0019 23.6077 28.2266 0.000795816 -0.00284531 -0.000280406 18
5157 23 C 20.4084 23.6155 27.0907 0.00130813 -0.00137293 -0.00417216 18
5158 24 C 21.1626 23.6337 25.887 0.000724141 -0.00333625 0.00261667 18
5159 25 C 20.8244 24.4625 24.8308 -0.00112646 0.00120106 -0.00283561 18
5160 26 C 21.6601 24.5427 23.7027 -0.0049634 0.00123394 0.00197169 18
5161 27 C 22.7969 23.679 23.6138 -0.000938022 -0.00130099 2.04694e-05 18
5162 28 C 23.1616 22.8347 24.6701 -0.000856776 0.000237995 -0.000441053 18
5163 29 C 22.3589 22.8879 25.8417 -0.00014411 0.00103521 -0.00212577 18
5164 30 C 23.6359 23.7613 22.4592 -0.00075655 0.000704786 0.00230392 18
5165 31 C 24.2256 23.8785 21.3999 0.000293552 0.00260085 -0.00171921 18
5166 32 C 22.4349 20.9168 18.9025 0.000614418 -0.00367991 -0.000978958 18
5167 33 C 22.4982 21.0369 17.5117 0.00127051 -0.00130915 0.00342403 18
5168 34 C 23.1584 22.1428 16.9528 -0.00150165 0.00517384 -0.00181361 18
5169 35 C 23.8553 23.0238 17.778 0.00114976 0.00316237 -0.0019901 18
5170 36 C 23.7299 22.9548 19.1862 -0.00166812 0.000627442 0.0019576 18
5171 37 C 23.001 21.8957 19.7263 0.0022602 0.00508928 0.000475499 18
5172 38 C 24.568 23.9863 19.9641 -0.00136993 0.00264246 -0.00404884 18
5173 39 C 28.3929 23.6771 19.7186 -0.000361422 0.00296211 0.00399241 18
5174 40 C 28.5056 23.7751 18.3221 0.00012028 -0.00704572 0.00295092 18
5175 41 C 27.3846 23.7601 17.5004 0.00539856 -0.00310923 -0.0016351 18
5176 42 C 26.1201 23.7859 18.0891 -0.00497584 -0.000572304 0.000433384 18
5177 43 C 25.9794 23.7884 19.4994 0.00200558 -0.00254613 -0.00375697 18
5178 44 C 27.1346 23.7086 20.3119 0.00185997 0.000229106 -0.00123046 18
5179 45 C 23.2922 27.6306 19.3255 0.000670977 -0.00092721 0.00174517 18
5180 46 C 23.5037 27.6961 17.9305 -7.62069e-05 0.00263481 -0.00202822 18
5181 47 C 24.0323 26.6258 17.2485 0.00343188 -0.0063819 9.76977e-05 18
5182 48 C 24.3286 25.4331 17.9551 0.0010643 0.000136717 0.0029637 18
5183 49 C 24.8237 24.1357 17.3217 0.00220099 0.00329809 0.000696652 18
5184 50 C 24.1505 25.3638 19.3689 0.0018267 0.000283127 -0.000427796 18
5185 51 C 23.6225 26.46 20.0905 0.0014802 0.00121675 0.00118388 18
5186 52 O 27.5378 23.9454 16.1431 -0.000448058 0.00209904 -0.00090673 18
5187 53 O 23.23 22.4548 15.6042 0.000622762 -0.00365882 0.0026966 18
5188 54 O 24.2123 26.6632 15.8855 1.04489e-06 0.00181218 0.00170147 18
5189 55 C 19.4284 23.6352 32.2555 0.00258218 -0.000554592 -0.000230446 18
5190 56 C 20.283 22.3958 31.7584 -0.00445001 0.00383148 -0.000674926 18
5191 57 C 27.7182 22.8459 15.2231 -0.00308883 0.00188996 -0.00234569 18
5192 58 C 26.6857 22.9293 14.0598 0.00271918 -0.00102109 0.00268859 18
5193 59 C 27.2358 23.4527 12.7757 -0.0022902 -0.00434285 0.000401799 18
5194 60 C 26.202 23.4339 11.5869 0.00156157 -0.000802279 -0.00554662 18
5195 61 C 26.8751 23.8475 10.2659 0.0028542 0.00139105 0.00109733 18
5196 62 C 26.0566 23.6882 8.95766 0.00109994 0.00498662 -0.00206559 18
5197 63 C 26.8562 24.1242 7.72591 0.00107549 0.00181411 -0.00410483 18
5198 64 C 26.1966 23.8206 6.38901 -0.00213371 0.00126119 0.00515177 18
5199 65 C 27.1176 23.9428 5.16961 0.00168767 -0.00158171 -0.00423989 18
5200 66 C 26.2927 23.694 3.88854 -0.00426155 0.00131439 0.00405125 18
5201 67 C 27.1167 24.0935 2.6312 0.00274591 -0.000765889 0.00329574 18
5202 68 C 26.5564 23.5249 1.3269 0.000918131 0.000659295 0.00295886 18
5203 69 F 21.3924 25.423 22.7416 0.000790297 0.00418446 -0.00294921 18
5204 70 C 23.1531 21.4438 14.6253 0.00184684 0.00106748 -0.000930925 18
5205 71 C 22.9401 22.1787 13.2966 0.0038138 -2.62991e-06 -0.00147982 18
5206 72 C 22.899 21.2438 12.072 0.00300387 0.00253267 -0.00220926 18
5207 73 C 22.8315 22.0468 10.7548 0.00270858 -0.00191274 -0.000935498 18
5208 74 C 22.9151 21.1942 9.5067 0.00227423 -0.00163323 -0.00268827 18
5209 75 C 22.7407 22.071 8.23032 -0.00345357 0.00565572 -0.000437632 18
5210 76 C 23.168 21.2622 7.00998 0.00656034 -0.0029602 0.00163268 18
5211 77 C 22.9202 22.1062 5.73011 -0.000465783 -0.000396258 -0.00137259 18
5212 78 C 23.2607 21.3087 4.47703 -0.0019279 -0.00144377 -0.000800914 18
5213 79 C 22.7634 22.038 3.19027 0.00485328 -0.00190254 -0.000319783 18
5214 80 C 22.5663 21.0654 1.99003 0.00330294 0.00370106 -0.00014335 18
5215 81 C 23.8525 20.333 1.52982 -0.000434539 -0.00118931 0.000216562 18
5216 82 C 25.4702 27.0846 15.3257 -3.23113e-05 0.00143271 -0.00306197 18
5217 83 C 25.4741 27.0417 13.7774 0.00425935 -0.00123442 -0.00285648 18
5218 84 C 26.2784 28.1829 13.0903 0.0034356 0.00381658 -0.00159509 18
5219 85 C 26.5401 27.7812 11.6224 0.00183263 -0.000503574 0.00465452 18
5220 86 C 25.3418 28.1197 10.7352 0.000679266 -0.00180633 -0.00163338 18
5221 87 C 25.4417 27.74 9.20174 -0.0016448 0.00156601 -0.000426687 18
5222 88 C 26.5359 28.5466 8.45083 -0.000760135 0.00202756 8.17916e-06 18
5223 89 C 26.3726 28.6693 6.94072 0.000817767 0.00259663 0.00290354 18
5224 90 C 25.9844 27.3595 6.16715 0.0024787 0.0014055 0.00251565 18
5225 91 C 25.547 27.6319 4.70518 0.000974779 -0.001169 -0.0011601 18
5226 92 C 26.6531 28.0959 3.74687 0.00216752 0.000175628 0.00294207 18
5227 93 C 26.1679 28.2718 2.28275 0.00438033 -0.00298504 0.00541224 18
5228 94 C 15.1722 23.3677 33.7569 0.00338979 -0.00199074 -0.00218027 18
5229 95 C 15.019 23.7166 35.2451 -0.0057233 -0.00104803 -0.000571338 18
5230 96 C 13.5933 23.6173 35.791 -0.00018599 -0.00238886 -0.00187902 18
5231 97 C 13.5388 23.3635 37.3285 -0.000855299 0.000795485 -0.0042685 18
5232 98 C 14.1313 24.5295 38.1647 0.00247183 0.001987 -0.00211157 18
5233 99 C 14.5198 24.0633 39.5784 0.0047696 -0.0029482 -0.00318029 18
5234 100 C 13.3462 23.9102 40.4927 0.000461096 0.000191717 0.000965446 18
5235 101 C 13.7744 23.679 41.9678 0.00261205 -0.000672843 0.00108414 18
5236 102 C 14.1917 24.9449 42.6982 0.00371352 -0.000624403 0.0021323 18
5237 103 C 14.6658 24.5389 44.1046 -0.00474781 -0.00155869 -0.00524227 18
5238 104 C 13.6214 23.8913 45.0147 0.00355764 -0.00125776 0.00243332 18
5239 105 C 14.1611 23.6079 46.4358 0.00287597 0.00317313 0.00208962 18
5240 106 C 20.4436 27.5534 34.3681 0.000248458 -0.00242287 0.0019324 18
5241 107 C 20.7038 27.5702 35.8695 -0.000761911 0.00118667 -0.000144226 18
5242 108 C 21.6186 28.7151 36.368 0.00137601 -0.0019524 -0.00157193 18
5243 109 C 21.5583 28.8509 37.8771 -0.00288776 -0.000794861 0.00278859 18
5244 110 C 21.748 27.5341 38.6623 0.000369198 0.00102886 0.00341498 18
5245 111 C 22.2139 27.8787 40.0917 -0.000260599 -0.0035823 0.00517417 18
5246 112 C 21.1902 28.5429 41.0165 0.000787943 0.000195958 -0.00409377 18
5247 113 C 21.8126 28.881 42.3845 -0.0034881 0.00448434 0.000607006 18
5248 114 C 22.0105 27.6353 43.3003 0.0018071 0.0016857 -0.00240017 18
5249 115 C 22.5924 27.9473 44.6942 0.000742407 -0.00250212 0.00123101 18
5250 116 C 21.5551 28.4601 45.6549 0.000971918 -0.00274463 -0.00517613 18
5251 117 C 22.2067 28.7897 47.0285 0.000774077 -0.00110066 0.00618348 18
5252 118 C 21.4157 20.1604 34.6439 0.00309473 -0.000997988 -0.000262459 18
5253 119 C 21.0577 20.0432 36.0909 -0.0023595 0.00255983 0.000675022 18
5254 120 C 21.9727 19.0354 36.8577 -0.00133435 0.000137087 -0.000978526 18
5255 121 C 21.6093 19.0714 38.3475 -0.000145804 0.00337083 2.4513e-05 18
5256 122 C 22.5855 18.2901 39.1798 -0.00362313 0.00099414 -0.00367385 18
5257 123 C 22.0353 17.9407 40.5694 -0.0019506 0.00372513 -0.00414995 18
5258 124 C 21.7955 19.1286 41.5098 -0.000368289 0.00205404 -0.00421847 18
5259 125 C 21.5687 18.6612 42.947 8.90407e-05 0.00135617 -0.00161866 18
5260 126 C 22.1254 19.557 44.0292 -0.00131739 -0.000406201 -0.00162109 18
5261 127 C 22.0684 18.7884 45.3846 0.0020841 -0.003824 0.000232895 18
5262 128 C 22.9434 19.4581 46.4878 0.00136942 0.00607728 -0.00306594 18
5263 129 C 22.8341 18.7529 47.8511 -0.00345509 -0.00268893 0.000845311 18
5264 130 F 19.7007 25.2684 24.8831 -0.00190827 -0.00132501 0.0033259 18
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5266 132 H 21.9011 27.7592 29.6782 0.00504614 0.00707021 0.011532 18
5267 133 H 21.0979 25.8818 28.5164 -0.00736826 0.00430054 -0.00333249 18
5268 134 H 14.7214 23.4152 31.3662 -0.00105184 0.000509236 -0.00163555 18
5269 135 H 15.0874 23.4499 29.0105 0.00113038 0.00478581 -0.00162449 18
5270 136 H 17.3901 23.4326 28.0952 0.00110027 -0.00261696 -0.000112707 18
5271 137 H 21.8797 19.4196 32.2898 0.00356764 0.00457906 -0.00211363 18
5272 138 H 22.2039 19.5556 29.8198 0.0138465 0.00332418 0.00561637 18
5273 139 H 21.3295 21.4263 28.5884 0.00688222 0.011422 0.00347559 18
5274 140 H 24.0926 22.2764 24.6389 0.00426736 0.00934647 -0.0108043 18
5275 141 H 22.6625 22.2976 26.7013 -0.0125348 -0.00485998 -0.00180329 18
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5277 143 H 22.0298 20.2648 16.9084 0.00257327 -0.00403152 0.00589066 18
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5279 145 H 29.3189 23.7457 20.2818 0.00510256 -0.00464312 -0.00403731 18
5280 146 H 29.4796 23.7959 17.8423 -0.00191464 -0.0104208 -0.00134174 18
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5282 148 H 22.8321 28.4631 19.8494 -0.00632271 -0.00336254 -0.000522997 18
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5285 151 H 23.5076 26.4236 21.1698 -0.000885316 0.0330479 0.00199166 18
5286 152 H 19.2812 23.6753 33.3418 -0.00300905 0.00173652 -0.00107448 18
5287 153 H 28.7352 22.9154 14.8178 -0.00380961 0.00633519 -0.00340399 18
5288 154 H 27.6494 21.9042 15.7816 -0.00222784 0.00325053 5.99722e-05 18
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5292 158 H 27.6253 24.4634 12.9492 -0.0119852 -0.00108056 0.00314141 18
5293 159 H 25.3681 24.1046 11.8279 0.00683381 -0.000243525 0.011207 18
5294 160 H 25.7952 22.4198 11.4896 -0.00899106 0.0028024 0.000999011 18
5295 161 H 27.7559 23.2027 10.1571 -0.000601278 -0.00411935 0.00570911 18
5296 162 H 27.2277 24.8835 10.342 0.00976042 1.68028e-05 -0.0121784 18
5297 163 H 25.1996 24.3667 9.05046 0.00524644 0.00876091 0.00894862 18
5298 164 H 25.809 22.6235 8.86517 0.00197428 0.00419492 0.00463342 18
5299 165 H 27.807 23.5781 7.76121 0.00285425 0.00491365 -0.00404997 18
5300 166 H 27.126 25.1871 7.75508 -0.00592757 0.00365819 -0.00659189 18
5301 167 H 25.3602 24.5133 6.23397 -0.00016854 0.00137555 -0.00501772 18
5302 168 H 25.8529 22.7797 6.43124 -0.0052015 0.00143568 -0.0157469 18
5303 169 H 27.904 23.1878 5.29173 0.00528386 7.38332e-05 -0.0173126 18
5304 170 H 27.6258 24.9098 5.06907 0.0015514 0.000738637 0.0177722 18
5305 171 H 25.3903 24.3175 3.90726 -0.00532367 7.41023e-05 -0.00596482 18
5306 172 H 26.0248 22.6336 3.80291 -0.0149405 0.00425364 0.0012052 18
5307 173 H 28.1659 23.7901 2.73407 0.00395934 -0.00104613 -0.00992973 18
5308 174 H 27.1819 25.188 2.59509 -0.00961927 5.50516e-05 0.00621946 18
5309 175 H 25.4635 23.6186 1.31135 0.00101694 0.002313 0.0062176 18
5310 176 H 26.7366 22.4563 1.15633 -0.00516112 0.000719252 -0.0039758 18
5311 177 H 26.8897 24.1152 0.464461 -0.00180204 -0.017878 -0.010773 18
5312 178 H 24.1082 20.9066 14.5751 0.0073389 0.00976442 0.0104917 18
5313 179 H 22.3081 20.7745 14.8287 -0.000166356 0.00992463 0.0199226 18
5314 180 H 21.9831 22.7086 13.3787 -0.0060001 -0.0160157 -0.0123746 18
5315 181 H 23.7715 22.8941 13.2764 0.00600195 -0.00246104 0.000910372 18
5316 182 H 23.796 20.6211 11.9662 0.00679316 0.00878124 -0.00693925 18
5317 183 H 22.0382 20.5799 12.2194 -0.0019484 0.00955426 0.000515536 18
5318 184 H 21.8573 22.5467 10.6891 0.00444093 0.000957548 -0.00477878 18
5319 185 H 23.6491 22.7768 10.7079 0.00500401 -0.00365164 0.012116 18
5320 186 H 23.8768 20.6686 9.55408 -0.00174978 -0.00858982 0.00214514 18
5321 187 H 22.1333 20.4298 9.59523 0.00452102 -0.00302392 0.00533229 18
5322 188 H 21.6898 22.373 8.14124 -0.00303095 0.00615036 -0.00373771 18
5323 189 H 23.3272 22.9881 8.36554 -0.00182468 0.00424209 0.0021175 18
5324 190 H 24.2236 20.9959 7.14481 0.00910668 0.00334222 -0.00590418 18
5325 191 H 22.5899 20.3312 6.96083 0.0128444 -0.00632844 -0.00850642 18
5326 192 H 21.8663 22.4106 5.73333 -0.00241402 -0.00708469 -0.0031139 18
5327 193 H 23.6208 22.95 5.75709 -0.00416462 0.00273118 -0.00377576 18
5328 194 H 24.3444 21.1664 4.38314 -0.00401229 -0.0294457 0.0176321 18
5329 195 H 22.8845 20.2832 4.57881 -0.00806454 -0.000492497 -0.014098 18
5330 196 H 21.7759 22.4527 3.42746 0.010823 0.0127592 -0.00120993 18
5331 197 H 23.4669 22.8503 2.96986 -0.00263839 0.00539021 0.00265616 18
5332 198 H 21.8165 20.3033 2.2358 0.0138136 -0.0081486 -0.00477764 18
5333 199 H 22.2081 21.6048 1.10449 0.00231281 0.00901955 0.00350794 18
5334 200 H 24.2866 19.8293 2.40236 -0.00989071 -0.0166818 -0.00407748 18
5335 201 H 23.7187 19.6373 0.692294 0.000138598 -0.00163735 0.000496833 18
5336 202 H 24.6338 21.0509 1.25112 -0.00956102 0.00740038 -0.0031773 18
5337 203 H 25.7391 28.0879 15.6785 -0.0109038 0.004427 -0.00329877 18
5338 204 H 26.2357 26.3745 15.662 0.00160442 0.00674401 0.00441442 18
5339 205 H 25.75 26.0326 13.4473 0.00192795 -0.00241889 -0.00119948 18
5340 206 H 24.4269 27.162 13.4734 0.00966179 0.00544398 -0.018744 18
5341 207 H 25.7173 29.1235 13.1533 -0.00994672 -0.00463983 0.00575185 18
5342 208 H 27.245 28.3378 13.5854 0.00566967 0.00987394 -0.00785001 18
5343 209 H 27.4278 28.3249 11.2765 0.00173 -0.00815495 -0.00763059 18
5344 210 H 26.802 26.7207 11.5213 0.0107725 0.00154602 0.0062617 18
5345 211 H 24.4708 27.5828 11.1308 -0.000428884 -0.0034858 -0.0063429 18
5346 212 H 25.1488 29.1946 10.8389 0.0034338 -7.30919e-05 -0.0144946 18
5347 213 H 25.6334 26.664 9.10785 0.00556726 0.00270763 0.00115206 18
5348 214 H 24.4872 27.9885 8.72156 0.000101546 -1.02439e-05 -0.00471278 18
5349 215 H 26.6094 29.574 8.82835 0.00623472 0.00476631 -0.00877052 18
5350 216 H 27.5129 28.0834 8.63616 -0.00421573 -0.0094187 -0.0103569 18
5351 217 H 25.5493 29.3779 6.78726 0.0104362 0.0101365 -0.0136644 18
5352 218 H 27.2943 29.0722 6.50307 0.00557762 0.00104866 0.0115015 18
5353 219 H 26.8196 26.6491 6.19982 -0.00457946 -0.0067491 0.00602808 18
5354 220 H 25.1429 26.8261 6.62618 0.000839641 0.0121191 0.0119043 18
5355 221 H 25.142 26.6809 4.33791 0.00684667 -0.0014583 -0.00686394 18
5356 222 H 24.7006 28.3295 4.68826 0.00577438 0.00486121 0.00743164 18
5357 223 H 26.8976 29.1208 4.05206 0.0159717 0.00236179 -0.0154539 18
5358 224 H 27.5811 27.5295 3.89296 -0.0110906 -0.0190236 0.012584 18
5359 225 H 26.9474 28.7751 1.69753 -0.000784521 0.0131176 0.0123858 18
5360 226 H 25.9377 27.3167 1.79468 -0.00235693 0.00847605 -0.0138275 18
5361 227 H 25.2905 28.9275 2.34218 0.00344544 -0.00483039 0.0122274 18
5362 228 H 14.4311 23.9771 33.225 0.00704142 0.00270928 -0.00187851 18
5363 229 H 14.9798 22.2998 33.5956 -0.00112428 0.000482449 -0.013135 18
5364 230 H 15.663 23.1051 35.8892 0.00537015 0.00635111 -0.00462147 18
5365 231 H 15.3391 24.7488 35.4339 0.00537286 -0.00372374 -0.00478707 18
5366 232 H 12.9402 24.4665 35.555 0.00282295 -0.00211176 -0.00914712 18
5367 233 H 13.0985 22.7582 35.3214 -0.0028642 -0.00256998 0.00126429 18
5368 234 H 12.4794 23.2363 37.5833 -0.00167613 0.00722721 -0.00448123 18
5369 235 H 13.974 22.3857 37.5689 0.0105892 0.00810385 0.00453957 18
5370 236 H 15.0729 24.8683 37.7151 0.0102298 -0.0113654 0.0040023 18
5371 237 H 13.4361 25.3757 38.2267 0.00380168 0.00204555 0.0121352 18
5372 238 H 15.0242 23.091 39.5163 0.00761748 -0.0018445 0.00264945 18
5373 239 H 15.2566 24.7402 40.0282 0.00522767 0.00286181 -0.0126906 18
5374 240 H 12.6435 24.7523 40.4707 0.0172751 0.0143758 0.00751396 18
5375 241 H 12.813 23.027 40.1196 0.00174137 -0.00478227 0.0109209 18
5376 242 H 12.917 23.1879 42.4442 -0.00423564 0.0137026 0.00351373 18
5377 243 H 14.5681 22.9217 41.9608 0.000519813 -0.0029652 0.0132098 18
5378 244 H 14.9703 25.5234 42.1858 -0.00547744 0.0146614 0.00537942 18
5379 245 H 13.309 25.5846 42.8207 0.00626244 0.00541749 -0.0112133 18
5380 246 H 15.4964 23.8346 43.972 0.00123963 0.00399738 0.00275196 18
5381 247 H 15.0907 25.3842 44.6598 -0.00264649 -0.0123435 0.00962615 18
5382 248 H 12.7244 24.5164 45.1036 0.00392237 0.000284942 -0.00485498 18
5383 249 H 13.3661 22.9184 44.5767 0.0107509 0.00278881 -0.0107801 18
5384 250 H 14.4371 24.5361 46.9512 0.0119864 0.0028289 -0.00218391 18
5385 251 H 13.3756 23.1316 47.0355 0.00201059 0.00571068 0.0029759 18
5386 252 H 15.0258 22.9334 46.4069 -0.00418784 -0.00493186 -0.0204086 18
5387 253 H 21.2161 28.1823 33.9086 0.00582193 -0.00175982 0.0122371 18
5388 254 H 19.4782 28.0262 34.1493 0.010515 0.0144391 -0.00701716 18
5389 255 H 19.7569 27.6394 36.4189 -0.00267419 -0.0103748 -0.00198993 18
5390 256 H 21.1756 26.6106 36.1142 0.00685871 0.0041797 -0.00307469 18
5391 257 H 22.674 28.5658 36.1084 0.00103064 0.00944185 -0.00960469 18
5392 258 H 21.4859 29.7117 35.9292 0.00678431 -0.000559804 -8.26408e-05 18
5393 259 H 22.2953 29.6031 38.1845 -0.00189037 -0.00437235 0.00915538 18
5394 260 H 20.5588 29.2138 38.1468 -0.00348525 -0.00297658 0.00352408 18
5395 261 H 20.7936 26.9989 38.7396 0.00997544 -0.0166284 -0.00071934 18
5396 262 H 22.5146 26.9074 38.1901 -0.00169198 -0.0042498 0.00708186 18
5397 263 H 22.4371 26.8913 40.5143 -0.00450959 -0.00136134 0.0126008 18
5398 264 H 23.1108 28.5072 40.0288 0.00163532 -0.00764164 -0.00847086 18
5399 265 H 20.8373 29.4977 40.6076 0.0075497 0.00303289 -0.00330639 18
5400 266 H 20.3062 27.897 41.0864 0.00187745 0.000809508 0.0150599 18
5401 267 H 22.8048 29.3163 42.213 -0.000886984 -0.00298495 -0.00328209 18
5402 268 H 21.2609 29.6721 42.9071 -0.0015312 0.00362503 0.00398398 18
5403 269 H 21.0381 27.1372 43.3988 0.00443967 -0.00204475 0.00460606 18
5404 270 H 22.7244 26.9554 42.819 0.00824935 0.00676529 -3.08355e-05 18
5405 271 H 22.971 27.0039 45.1066 -0.00411128 -0.00200543 0.0068247 18
5406 272 H 23.4149 28.6692 44.6181 -0.00501967 0.00633121 0.0227533 18
5407 273 H 21.0502 29.3512 45.2619 -0.00286202 0.00515303 0.0175971 18
5408 274 H 20.7984 27.6847 45.8267 0.00407648 -0.00464803 -6.09415e-05 18
5409 275 H 22.575 27.9218 47.5893 -0.00135014 -0.00587443 0.000166134 18
5410 276 H 23.0647 29.4685 46.9472 -0.00637525 0.00610091 -0.00890473 18
5411 277 H 21.5071 29.371 47.6418 -0.0175738 -0.00772958 -0.00850047 18
5412 278 H 21.3329 19.1799 34.159 -0.000770141 0.00255141 -0.00680648 18
5413 279 H 22.4825 20.4155 34.6552 0.00180529 0.00468781 -0.00863843 18
5414 280 H 20.0108 19.7403 36.216 -0.00397185 0.00540374 -0.00598072 18
5415 281 H 21.0985 21.0298 36.5688 -0.00828409 -0.00635011 0.0195963 18
5416 282 H 23.0168 19.3444 36.7246 0.00111355 -0.0110309 -0.00762972 18
5417 283 H 21.8478 18.0275 36.4431 -0.000728519 0.000336521 -0.00164581 18
5418 284 H 20.5815 18.7039 38.4572 4.12032e-05 -0.00285333 -0.0189179 18
5419 285 H 21.657 20.1053 38.7109 -0.00866956 0.000401076 0.00955617 18
5420 286 H 23.5438 18.8195 39.2485 -0.00110131 -0.00158886 -0.0187707 18
5421 287 H 22.7654 17.3939 38.5733 -0.00809429 -0.00391052 0.00227973 18
5422 288 H 22.7104 17.1868 40.9929 -0.00176473 0.006961 0.0012814 18
5423 289 H 21.1046 17.3872 40.3941 0.000815928 -0.00472308 0.0078335 18
5424 290 H 20.9301 19.695 41.1442 -0.00649725 -0.00483983 -0.000402265 18
5425 291 H 22.662 19.8007 41.5381 -0.00110067 0.00249787 0.00860814 18
5426 292 H 21.9851 17.6503 43.0375 -0.0150918 -0.00457548 0.00203391 18
5427 293 H 20.5013 18.5449 43.172 -0.000784413 -0.0021295 -0.0075678 18
5428 294 H 21.4846 20.4363 44.1694 0.00935917 0.00663176 0.00297325 18
5429 295 H 23.1543 19.8621 43.8019 0.000599224 -0.00505929 0.00080146 18
5430 296 H 22.4717 17.7721 45.2964 -0.0186622 -0.0103361 -0.0191047 18
5431 297 H 21.0263 18.6559 45.7006 0.00107591 -0.0105738 -0.00589445 18
5432 298 H 22.5842 20.4891 46.5946 0.0141362 0.00932565 0.00834151 18
5433 299 H 24.015 19.4546 46.2531 -0.00110137 0.00344919 -0.0142092 18
5434 300 H 23.375 17.7994 47.8105 -0.00519519 -0.00306322 -0.0139821 18
5435 301 H 21.7626 18.6139 48.0411 -0.00585212 0.00704992 -0.00542149 18
5436 302 H 23.3274 19.4192 48.5694 0.00386216 -0.0131272 0.00548691 18
5437 1 C 25.2348 20.3677 30.781 0.00156566 -0.000672529 0.00127251 19
5438 2 C 25.3378 20.2738 29.4051 0.00593738 0.00648158 -0.00204848 19
5439 3 C 24.8468 19.1399 28.7111 0.0015888 0.00027486 -0.00283326 19
5440 4 C 24.347 18.0688 29.4963 0.00401617 0.00314184 -0.00183163 19
5441 5 C 24.2643 18.1464 30.8714 0.000462314 0.00161687 0.00270577 19
5442 6 C 24.7256 19.312 31.5133 0.000852253 -0.00107131 -0.00324042 19
5443 7 C 19.7984 16.7626 30.5844 -0.00114887 0.00109952 0.00135583 19
5444 8 C 19.911 16.7194 29.1897 -0.0048771 -0.00011589 -0.000907696 19
5445 9 C 21.1402 16.6973 28.57 -0.00329406 -0.00711755 0.000778629 19
5446 10 C 22.2974 16.7609 29.3903 0.00427424 0.000682296 -0.00263593 19
5447 11 C 22.1912 16.9138 30.8267 0.00215763 0.00166824 -0.00300185 19
5448 12 C 20.8936 16.882 31.4271 -0.000444103 0.00318507 0.00450013 19
5449 13 C 25.4031 13.5477 31.0349 0.000261312 -0.00112299 -4.61153e-05 19
5450 14 C 25.5826 13.5395 29.6532 -8.18846e-06 0.00296312 -0.000859417 19
5451 15 C 25.0347 14.5933 28.8985 -0.00139907 -0.000177643 -3.64608e-06 19
5452 16 C 24.4016 15.6538 29.5928 -0.00058277 -0.00463373 0.003607 19
5453 17 C 23.7159 16.8076 28.8811 0.0039867 0.00250751 0.001463 19
5454 18 O 24.642 14.4768 33.1338 -0.00134613 8.40912e-05 -0.00198536 19
5455 19 O 20.7267 16.9113 32.7897 -0.00348861 -0.00463745 -0.000150429 19
5456 20 O 24.6473 19.4743 32.8922 0.00258502 -0.0013291 0.00151109 19
5457 21 C 24.7297 14.5575 31.7623 -0.0032482 0.00363253 0.00199069 19
5458 22 C 23.8966 16.781 27.4423 0.00288907 -0.000891645 0.000650862 19
5459 23 C 24.3298 16.7884 26.3066 0.00147931 0.000245292 0.000488881 19
5460 24 C 25.0368 16.903 25.0621 0.00576783 -0.000743344 -0.00302399 19
5461 25 C 25.0495 18.0613 24.2821 -0.00412575 0.00480713 -0.00319964 19
5462 26 C 25.9019 18.1905 23.2211 0.00112593 0.00327058 0.00138287 19
5463 27 C 26.8105 17.1535 22.9165 -0.00122867 -0.0012167 -0.00389725 19
5464 28 C 26.8142 15.9626 23.6471 -0.00211615 0.00179235 -0.00145816 19
5465 29 C 25.9265 15.858 24.7213 0.000382641 0.0013636 -0.0021097 19
5466 30 C 27.62 17.2946 21.7633 0.00172629 0.00134348 0.00297805 19
5467 31 C 28.1654 17.3274 20.6709 0.00185522 0.000420381 0.00503916 19
5468 32 C 27.7144 13.5999 18.6566 -0.00170882 -0.00350603 0.000603635 19
5469 33 C 28.0725 13.5562 17.3393 -0.0040905 0.000629264 0.000662984 19
5470 34 C 28.2031 14.6951 16.543 -0.00106959 0.00419472 0.00432341 19
5471 35 C 28.2049 15.9607 17.2033 0.0021239 0.00252013 -0.00105122 19
5472 36 C 28.0132 15.9976 18.6021 -0.00322399 -0.00346184 -0.00786858 19
5473 37 C 27.7265 14.8166 19.3099 -0.000398935 0.00272384 -0.000264491 19
5474 38 C 28.4497 17.3423 19.2273 -0.00161689 0.00186365 -0.0029075 19
5475 39 C 32.3119 17.2381 18.7909 0.003436 0.000733506 0.00114004 19
5476 40 C 32.3738 17.2235 17.3922 0.000584868 -0.00605135 0.00196269 19
5477 41 C 31.2069 17.3944 16.6121 -0.00070676 0.00130524 -0.00219811 19
5478 42 C 29.9671 17.4704 17.2734 0.000277489 0.00238493 -0.00251752 19
5479 43 C 29.9158 17.4474 18.7025 -0.00438867 -0.00260531 0.000618634 19
5480 44 C 31.0853 17.373 19.4377 0.00100163 0.002206 -0.00637918 19
5481 45 C 26.1376 20.3716 18.3383 0.00200941 -0.000449923 0.00130917 19
5482 46 C 26.2129 20.2899 16.9573 -0.0038486 -0.00193519 -0.00159006 19
5483 47 C 27.0267 19.3746 16.3206 -0.00185439 -0.00251501 0.0024068 19
5484 48 C 27.7419 18.431 17.0666 0.00300456 0.00123067 -0.00232854 19
5485 49 C 28.6512 17.2768 16.5543 -0.00437845 -0.00130032 0.00127508 19
5486 50 C 27.6611 18.4454 18.4724 0.0040491 0.00101387 0.00393395 19
5487 51 C 26.8401 19.4231 19.1005 0.00400492 0.00104507 -0.00490724 19
5488 52 O 31.2392 17.5747 15.2376 0.00255306 -0.0037606 -0.00363975 19
5489 53 O 28.5859 14.5839 15.2364 -0.0039436 0.00242227 -0.00142092 19
5490 54 O 26.8613 19.4449 14.9652 0.00462463 -0.00392633 -0.00366605 19
5491 55 C 23.5401 16.9165 31.523 0.00103435 -6.68246e-05 0.001384 19
5492 56 C 24.2501 15.6575 30.9928 0.000112997 0.00248055 0.00108773 19
5493 57 C 31.3005 16.5445 14.2498 0.00162708 -0.00163185 0.00475729 19
5494 58 C 30.4768 17.047 13.0351 -0.00234581 0.00103981 -0.00191064 19
5495 59 C 30.9919 16.5356 11.6842 0.00161777 -0.00560256 0.00122481 19
5496 60 C 30.2568 17.1221 10.4637 -0.000733887 0.000158604 0.0034968 19
5497 61 C 30.7598 16.6152 9.10954 0.00326609 -0.000202972 -0.00142066 19
5498 62 C 29.9488 17.2111 7.95912 0.000172955 -0.00269854 0.000487808 19
5499 63 C 30.3172 16.6391 6.57018 -4.58775e-05 -0.00422982 0.00256788 19
5500 64 C 31.6636 17.1216 6.03836 -0.00362982 0.00101391 0.000688366 19
5501 65 C 31.9671 16.4691 4.6866 -0.00223251 0.00191175 0.00071416 19
5502 66 C 31.0022 16.925 3.55821 -0.00202966 -0.00138962 0.00260433 19
5503 67 C 31.6013 16.5302 2.18553 0.000273872 -0.00204615 -0.00148056 19
5504 68 C 30.5273 16.4927 1.09447 -0.00289224 -0.00281349 0.00180408 19
5505 69 F 25.8936 19.3356 22.5393 -0.00253623 0.000429925 0.00351807 19
5506 70 C 28.8759 13.3288 14.5923 -5.24688e-05 0.000950277 0.00434872 19
5507 71 C 29.3384 13.6619 13.1768 -5.01303e-05 -0.00159309 0.00202433 19
5508 72 C 29.396 12.439 12.2067 0.00154049 0.000556086 0.00320582 19
5509 73 C 29.6635 12.8728 10.7207 0.00553852 0.00337765 0.00281161 19
5510 74 C 29.9434 11.6833 9.75476 0.000290602 0.000974464 -0.00239188 19
5511 75 C 30.237 12.2558 8.37405 0.00235564 0.00264949 -0.00233031 19
5512 76 C 30.5881 11.1494 7.36308 0.00404089 0.00296521 0.00566352 19
5513 77 C 30.9989 11.7103 5.99663 0.00493026 -0.00206519 0.000110831 19
5514 78 C 29.7917 12.1726 5.09067 -0.00143599 -0.0035357 0.00229301 19
5515 79 C 30.0396 11.9973 3.58304 -0.00297694 0.00112304 -0.00239927 19
5516 80 C 30.6768 13.1987 2.86184 -0.00171215 0.000297579 -0.000128639 19
5517 81 C 30.7672 13.0174 1.34159 -0.000210117 0.00231777 0.00148755 19
5518 82 C 27.5781 18.8853 13.8772 -0.00146239 -0.00235322 0.00228229 19
5519 83 C 26.9611 19.5833 12.6542 -0.00201676 0.000994582 0.0040759 19
5520 84 C 27.1833 18.8106 11.3163 -0.000599229 0.00305152 -0.0014328 19
5521 85 C 26.2 19.382 10.2554 -0.00265243 0.000247164 0.00323268 19
5522 86 C 26.4409 18.9835 8.79282 -0.00192739 0.00488265 -0.00327434 19
5523 87 C 27.59 19.7761 8.09583 -0.000232821 0.00507323 -5.40834e-05 19
5524 88 C 27.7823 19.4502 6.57085 -0.00156191 0.000629991 0.000631049 19
5525 89 C 26.6307 19.815 5.63048 -0.00103259 0.000848207 -5.57417e-05 19
5526 90 C 27.1213 20.1021 4.15139 -0.00482435 -0.0010612 -0.00185059 19
5527 91 C 28.0195 19.0134 3.49729 0.00162729 0.00145886 -0.00224049 19
5528 92 C 27.1907 18.1718 2.5291 -0.00251702 0.00116217 0.00311155 19
5529 93 C 27.0133 18.869 1.15729 0.00254542 -0.000844548 -0.000118109 19
5530 94 C 19.4396 16.7359 33.3936 -0.000154095 0.000709351 -0.00397615 19
5531 95 C 19.4205 17.0684 34.9185 -0.00234381 -0.000819404 -0.000928162 19
5532 96 C 18.0032 16.8611 35.5521 0.00132878 0.00607888 0.00029797 19
5533 97 C 17.9316 17.1758 37.0775 0.00428852 0.000808462 0.00139884 19
5534 98 C 18.7986 16.2196 37.9631 -0.000753259 0.0013637 0.00198436 19
5535 99 C 18.4077 16.0453 39.4367 0.00191468 -0.00305071 6.43818e-05 19
5536 100 C 18.1583 17.3365 40.2228 -0.000348941 -0.000564134 -0.000246869 19
5537 101 C 18.6433 17.312 41.6984 -0.000449304 -0.00154489 0.00243994 19
5538 102 C 17.6287 16.8021 42.7954 0.00434327 0.00485869 -0.000172692 19
5539 103 C 18.1308 17.2432 44.2034 -0.00218802 0.00139965 0.000786797 19
5540 104 C 17.1875 16.8038 45.3466 0.000936608 -0.00312807 -0.00406536 19
5541 105 C 17.4467 17.5248 46.6655 0.00460028 -0.00561659 0.00104196 19
5542 106 C 25.4761 20.5095 33.5311 -0.0023997 -0.00271024 0.00331336 19
5543 107 C 25.4532 20.5134 35.0603 -0.00495297 -0.00285029 0.00162872 19
5544 108 C 25.8891 21.8628 35.6977 0.00215321 -0.00292885 -0.00107521 19
5545 109 C 26.0239 21.8657 37.2349 0.00332401 0.00109508 0.000791031 19
5546 110 C 24.7912 21.2473 37.9811 -0.00166724 -0.000113054 -0.00125568 19
5547 111 C 24.5692 21.8231 39.3637 -0.00363683 -0.000947508 0.0032207 19
5548 112 C 25.5602 21.3746 40.3871 0.000976705 0.00190852 -0.00263293 19
5549 113 C 25.054 21.912 41.7597 -0.00158177 -3.72627e-05 0.00587366 19
5550 114 C 25.8726 21.4353 42.9559 0.00207787 -0.00117761 -0.000871555 19
5551 115 C 25.2499 21.8698 44.2595 -0.00593341 0.00163363 0.00186023 19
5552 116 C 26.0338 21.3878 45.4347 0.00200989 -0.00230571 -0.00256139 19
5553 117 C 25.4218 21.8506 46.7164 -0.00311417 0.00158335 0.00127985 19
5554 118 C 24.978 13.2762 33.8628 0.000334749 0.00517297 9.46046e-06 19
5555 119 C 25.2361 13.6894 35.3226 -0.0016371 -0.000427107 -0.00318021 19
5556 120 C 25.4234 12.5136 36.3262 0.00119274 -0.00115251 -0.00314658 19
5557 121 C 25.869 13.0189 37.7099 0.000470067 -0.00335061 -0.00221698 19
5558 122 C 25.9925 11.9938 38.85 -0.00184774 0.00454241 -0.00107961 19
5559 123 C 26.4551 12.623 40.1983 -0.00114 0.00468774 -0.00230365 19
5560 124 C 25.9364 11.9089 41.4704 -8.24608e-05 0.00320076 -0.00542255 19
5561 125 C 26.1478 12.7181 42.7564 0.00243759 0.00316438 -0.00379335 19
5562 126 C 25.3537 12.2131 43.9663 -0.000666747 0.000411515 0.00118626 19
5563 127 C 25.9614 12.712 45.2742 -0.00434893 -0.00363218 -0.000670582 19
5564 128 C 25.419 12.024 46.5094 0.00335577 -0.000374737 0.000138395 19
5565 129 C 26.3334 12.1836 47.7227 -0.00118491 0.000892998 0.000519436 19
5566 130 F 24.2378 19.089 24.5413 -0.00353865 -0.00135474 -0.00207123 19
5567 131 H 25.5865 21.2987 31.2156 0.00739939 0.00113279 -0.00728595 19
5568 132 H 25.6933 21.1191 28.8234 0.00762972 0.00467002 -0.00364598 19
5569 133 H 24.921 19.1255 27.6278 0.0189031 0.00196605 -0.00168956 19
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5585 149 H 25.6293 21.0166 16.3999 0.000915313 0.0016779 -0.00187213 19
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5588 152 H 23.5541 16.9057 32.6199 0.00661098 -0.00116107 0.0013155 19
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5591 155 H 30.4808 18.1381 12.9219 -0.0152222 0.00259358 0.0129494 19
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5594 158 H 32.0819 16.6471 11.6303 0.00118358 -0.00241472 -0.000839335 19
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5608 172 H 30.0288 16.4332 3.67653 -1.97959e-05 -0.00393881 0.00855027 19
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5617 181 H 30.354 14.0493 13.3246 -0.00259354 0.00467353 0.00306535 19
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5630 194 H 28.9175 11.5569 5.33612 -0.00618417 0.00231815 7.80852e-05 19
5631 195 H 29.4625 13.1998 5.29024 0.0130152 0.00113107 0.00200385 19
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5650 214 H 28.5027 19.5399 8.6566 0.00144849 0.0142124 0.00105577 19
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5655 219 H 26.2729 20.3115 3.48817 -0.00905198 0.000479824 0.00405384 19
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5724 288 H 26.1011 13.6613 40.1828 -0.0249091 -0.00355356 -0.0146045 19
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5726 290 H 26.487 10.9602 41.4881 0.00909103 0.00833426 -0.0141113 19
5727 291 H 24.8722 11.6769 41.3398 -0.00338876 0.0086919 0.0118974 19
5728 292 H 25.934 13.7745 42.5522 0.00344357 0.00452437 0.00222403 19
5729 293 H 27.2245 12.6426 42.9527 -0.000366525 0.0143807 0.0157238 19
5730 294 H 25.2686 11.12 43.9308 -0.0085379 0.00131951 -0.00860424 19
5731 295 H 24.3057 12.5343 43.9214 0.000828955 0.00573698 0.00449033 19
5732 296 H 25.8585 13.8025 45.3356 0.00247234 -0.00382979 0.0141512 19
5733 297 H 27.0403 12.5182 45.2316 -0.00505989 -0.0034102 -0.0197784 19
5734 298 H 25.2604 10.9527 46.3341 -0.00743526 0.000917017 0.00192158 19
5735 299 H 24.4109 12.4039 46.7163 0.00516758 -0.00233448 0.0125327 19
5736 300 H 27.0664 11.3686 47.6794 -0.00722951 -0.00380955 -0.0138203 19
5737 301 H 25.7882 12.1021 48.6712 0.012358 -0.00371222 0.00792098 19
5738 302 H 26.8537 13.1465 47.7958 -0.00859669 0.00539742 -0.00628132 19
5739 1 C 29.2987 27.1608 31.503 -0.00285648 -0.00208347 -0.000935858 20
5740 2 C 29.4898 27.0898 30.1158 -0.00105021 -0.000784871 -0.000870326 20
5741 3 C 28.9833 26.0491 29.3727 0.00194437 -0.000610127 0.00488392 20
5742 4 C 28.2767 24.9985 30.0111 0.00482321 -0.0053323 0.00682986 20
5743 5 C 28.0921 25.0386 31.4439 -0.00315677 -0.00144446 0.00210193 20
5744 6 C 28.5222 26.1996 32.1837 -0.00314654 0.00480696 -0.00168616 20
5745 7 C 23.6044 23.7608 30.7059 -0.00364415 -0.00136684 0.00172917 20
5746 8 C 23.787 23.8072 29.3272 1.09424e-05 0.000211835 0.00130871 20
5747 9 C 25.0966 23.8015 28.8028 0.00447845 0.0047527 -0.0016838 20
5748 10 C 26.1562 23.8358 29.6858 -0.000152141 0.00143506 -0.00061153 20
5749 11 C 25.978 23.8351 31.1004 -0.00409091 0.00298792 0.00365158 20
5750 12 C 24.6707 23.8471 31.6 -0.00361214 -0.00127509 -0.00591535 20
5751 13 C 29.133 20.3691 31.4421 0.00176068 -0.00212569 0.00213365 20
5752 14 C 29.136 20.3597 30.043 0.000699755 0.000541657 0.000123842 20
5753 15 C 28.6952 21.4317 29.3429 0.00137979 -0.00291707 -0.000102464 20
5754 16 C 28.1704 22.5429 30.0034 0.00082484 -0.00169945 0.000401742 20
5755 17 C 27.6343 23.7736 29.3081 0.000620592 0.00513398 -0.00153357 20
5756 18 O 28.6596 21.4526 33.5766 -0.00398446 0.00191287 -0.000425693 20
5757 19 O 24.4345 23.9829 32.9567 -0.00523428 0.00202959 0.001807 20
5758 20 O 28.2451 26.3484 33.5225 0.0017357 0.00356838 -0.000381789 20
5759 21 C 28.6225 21.4867 32.1607 0.00271533 2.7331e-05 0.00425825 20
5760 22 C 27.9419 23.7929 27.8462 -0.00430664 0.000161914 -0.00183983 20
5761 23 C 28.3488 23.842 26.7112 0.00445423 -0.000822144 0.00109836 20
5762 24 C 29.0923 23.8201 25.4691 -0.00125491 0.000476158 -0.000488928 20
5763 25 C 30.0952 22.8592 25.283 0.00637846 -0.00183849 0.00153276 20
5764 26 C 30.91 22.9842 24.1521 0.00249306 -0.00127952 0.00141528 20
5765 27 C 30.792 24.0377 23.2566 0.00163857 -0.00107634 0.00131444 20
5766 28 C 29.7726 24.9958 23.4589 0.00218076 -1.97449e-05 0.00136974 20
5767 29 C 28.9072 24.8297 24.5449 0.00343757 0.00267307 0.00426086 20
5768 30 C 31.6066 24.056 22.0714 -0.00416983 -0.00153333 -0.000306736 20
5769 31 C 32.0866 24.0518 20.9545 0.00145581 -0.00335841 0.00188783 20
5770 32 C 30.454 20.7958 18.6071 0.00308663 -0.00121759 0.00202429 20
5771 33 C 30.5627 20.876 17.2014 -0.000308058 0.00273366 -0.000944886 20
5772 34 C 31.2941 21.9048 16.5846 -0.00333655 0.000410537 -0.000882435 20
5773 35 C 31.9648 22.8668 17.3989 0.00561692 -0.000230545 -0.00409376 20
5774 36 C 31.7471 22.8324 18.7959 0.000948365 0.0020839 0.0038089 20
5775 37 C 31.0079 21.7741 19.4135 0.00138639 -0.00238991 -0.000775191 20
5776 38 C 32.4055 23.9959 19.5293 0.0065939 0.00238909 -0.00376724 20
5777 39 C 36.2834 23.6565 19.4377 -0.00146628 -0.000170683 -0.00208312 20
5778 40 C 36.4631 23.8916 18.0672 -0.00238025 -0.000672429 -0.00276319 20
5779 41 C 35.3796 23.9427 17.1978 0.00041422 -0.000261837 0.000158629 20
5780 42 C 34.0984 23.9083 17.7269 0.00148499 0.00381265 0.000130687 20
5781 43 C 33.8924 23.8722 19.1269 -0.000478213 -0.00100719 -0.000871713 20
5782 44 C 34.9855 23.7207 19.9796 -0.000948545 0.00381541 0.0021363 20
5783 45 C 31.1126 27.5458 18.7579 -0.000203141 0.000394036 -0.00558693 20
5784 46 C 31.5529 27.6356 17.4166 -0.00515961 0.000650539 0.00175651 20
5785 47 C 32.1078 26.5019 16.7783 -0.00646138 -0.000951958 0.00178444 20
5786 48 C 32.2204 25.3214 17.4947 0.0022264 0.00197552 -0.00276352 20
5787 49 C 32.814 24.0493 16.9227 0.000256996 0.000610846 0.00314014 20
5788 50 C 31.9269 25.2724 18.8525 0.000542433 0.00157406 -0.000407342 20
5789 51 C 31.2836 26.3666 19.4993 0.000273781 -0.000395928 0.00157609 20
5790 52 O 35.5353 24.0788 15.8461 -0.00116965 0.00328857 0.00141558 20
5791 53 O 31.3353 22.094 15.2464 0.00218057 0.000582949 -0.00179528 20
5792 54 O 32.5297 26.589 15.4596 -0.00392696 -0.00277401 0.000670492 20
5793 55 C 27.2817 23.8048 31.9576 0.0038941 0.000734127 -0.00164342 20
5794 56 C 28.0695 22.5738 31.412 0.000514763 0.00286638 0.000172185 20
5795 57 C 36.1844 23.0046 15.1954 -0.00327304 -0.00146538 0.00265113 20
5796 58 C 35.1731 22.3078 14.2433 -0.000946612 -0.00093117 -0.000311229 20
5797 59 C 35.0518 22.8161 12.7668 0.000583307 0.00169109 -0.00360715 20
5798 60 C 34.0534 23.9308 12.4805 0.00276531 -0.000538127 0.0042691 20
5799 61 C 33.5625 23.9482 11.028 0.00351832 -0.004243 0.00237952 20
5800 62 C 34.5788 23.6378 9.92309 0.00356127 0.000284593 -0.00471163 20
5801 63 C 33.8994 23.6678 8.53413 -0.000138265 -0.00249262 0.00549892 20
5802 64 C 34.8116 23.4735 7.3532 -0.00384463 0.00356153 -0.00160759 20
5803 65 C 34.1603 23.5027 5.96911 0.00309421 0.00352107 0.0020803 20
5804 66 C 35.1331 23.4331 4.7619 0.00188512 0.003104 0.0052328 20
5805 67 C 34.3319 23.5877 3.41552 -0.00169551 -0.000106243 -0.00500574 20
5806 68 C 35.1259 23.6492 2.13851 0.000647988 -0.00140137 -0.00213071 20
5807 69 F 31.8816 22.0986 24.0304 -0.00142024 -0.002769 -0.00118814 20
5808 70 C 30.8882 21.0738 14.3408 0.00201271 0.00278039 -0.000349271 20
5809 71 C 31.0018 21.7041 12.9766 0.00352516 0.00293027 0.00213475 20
5810 72 C 30.5035 20.76 11.861 -0.00219557 -0.00564148 -0.00207454 20
5811 73 C 30.1291 21.5795 10.5973 -0.000846768 0.000427342 -0.000915684 20
5812 74 C 30.8762 21.052 9.3957 0.000522921 -4.38639e-06 -0.00131511 20
5813 75 C 30.4999 21.7508 8.09582 0.00136522 -0.00187324 -0.00233241 20
5814 76 C 31.208 21.0853 6.90645 0.00213417 0.00425327 0.00350429 20
5815 77 C 30.7702 21.8719 5.63798 0.00285997 -0.00200978 -0.00340432 20
5816 78 C 31.2888 21.1964 4.35528 -0.000157803 0.00258156 0.00252422 20
5817 79 C 30.8575 22.0677 3.12213 -0.00161925 0.00269819 -0.000482423 20
5818 80 C 31.5131 21.5771 1.80851 -0.00329633 0.00122228 -0.00466118 20
5819 81 C 30.7849 20.3358 1.23717 9.6077e-06 -0.000244547 -0.000943992 20
5820 82 C 32.6674 27.8177 14.7215 0.00347573 -0.00146448 0.00200049 20
5821 83 C 33.1006 27.4805 13.2811 0.00275345 -0.00200775 -0.000741639 20
5822 84 C 33.5055 28.7437 12.4782 0.000826903 -0.00311371 0.00144126 20
5823 85 C 33.5043 28.563 10.9245 -0.000622593 0.00125822 0.00132786 20
5824 86 C 34.6462 27.6931 10.4181 -0.000828102 0.000583236 -0.000307237 20
5825 87 C 34.3943 27.1667 9.01438 -0.000872743 0.000471659 0.00136852 20
5826 88 C 34.2942 28.2245 7.82368 0.00143493 -0.00144186 0.00289686 20
5827 89 C 33.4071 27.6493 6.68842 -0.00365499 -0.00287694 -0.00480756 20
5828 90 C 33.615 28.1054 5.26256 0.000661496 0.00410897 -0.000797154 20
5829 91 C 34.8603 27.4719 4.55166 -0.000673093 0.00148633 0.00141626 20
5830 92 C 34.7274 27.2952 3.04684 -0.000953092 0.000712674 0.000471788 20
5831 93 C 34.6628 28.6691 2.33282 0.00117348 -0.001888 0.00251352 20
5832 94 C 23.1843 23.5295 33.5183 -0.000830981 -0.00840411 0.00252682 20
5833 95 C 23.0076 24.1311 34.9268 0.0015857 -0.00264297 -0.000786425 20
5834 96 C 22.1351 23.2819 35.8027 0.000453977 0.0036614 0.00367534 20
5835 97 C 22.1809 23.8223 37.242 0.0014061 0.00310452 0.00151445 20
5836 98 C 21.1583 23.1827 38.1929 0.00292769 0.000575894 -0.00335653 20
5837 99 C 21.0101 23.8713 39.5569 -0.00258619 -0.000572444 -0.000447666 20
5838 100 C 22.0108 23.4937 40.6629 -0.00234528 -0.00180672 0.00240948 20
5839 101 C 21.5711 24.1561 41.9641 0.00311909 0.000159492 -0.00317779 20
5840 102 C 22.034 23.4069 43.2063 -0.00323258 -6.19484e-05 0.00232802 20
5841 103 C 21.4782 24.0266 44.491 -0.00338138 0.00243486 0.0021013 20
5842 104 C 22.1721 23.5476 45.7408 0.00186904 0.00233217 -0.00413617 20
5843 105 C 21.7542 24.4148 46.9575 -0.000272254 0.00247758 -0.000687334 20
5844 106 C 28.7554 27.5166 34.241 0.00134503 -0.00246613 -0.00139308 20
5845 107 C 28.3668 27.5704 35.7502 0.000235735 -0.00200301 0.00351758 20
5846 108 C 29.578 27.9045 36.666 -7.95011e-05 -0.00101044 -0.00519883 20
5847 109 C 29.3268 27.907 38.1872 -0.00028797 -0.002755 -0.000478895 20
5848 110 C 30.599 28.151 39.0599 0.00179593 -0.00128851 -0.000696142 20
5849 111 C 30.4338 27.6823 40.5502 -0.0032821 0.00027427 -0.000657285 20
5850 112 C 29.4639 28.5404 41.3566 0.000234571 0.00108123 -0.00111944 20
5851 113 C 29.2524 27.9894 42.7815 -0.00301666 -0.00161589 -0.00199402 20
5852 114 C 30.3444 28.4301 43.789 0.000252247 0.00453046 0.000193261 20
5853 115 C 29.9801 27.844 45.1788 -0.00168255 0.00487338 0.000702295 20
5854 116 C 30.5966 28.5649 46.3788 -0.002565 0.00148452 0.000230345 20
5855 117 C 29.7636 29.774 46.7919 0.00250449 0.00251583 -0.000671306 20
5856 118 C 29.1756 20.2892 34.2185 0.000563627 -0.00144205 0.00150061 20
5857 119 C 29.2327 20.385 35.7199 0.000261132 0.00139229 -0.00136064 20
5858 120 C 29.7784 19.0838 36.342 -0.00432492 0.00119964 0.00616673 20
5859 121 C 30.3486 19.252 37.778 0.00197672 0.000330645 0.00135593 20
5860 122 C 29.4136 19.9355 38.8298 -0.00177696 0.000842812 0.00146171 20
5861 123 C 29.8029 19.3145 40.1927 -0.000545411 0.0022834 -0.000421646 20
5862 124 C 28.9257 19.8597 41.3402 0.00118264 0.00344634 0.00630675 20
5863 125 C 29.4038 19.2127 42.6661 0.0092497 0.00081706 0.000489377 20
5864 126 C 28.7824 19.7383 43.9612 0.00129876 -0.00332331 0.000894302 20
5865 127 C 29.3531 18.9874 45.1472 0.00417486 -0.00101155 0.000539968 20
5866 128 C 28.9325 19.5183 46.5194 1.38873e-05 -0.00220368 -0.000710121 20
5867 129 C 29.7524 18.8025 47.6361 -0.00185639 -0.000536477 -0.00364597 20
5868 130 F 30.2937 21.845 26.1797 -0.000173289 0.000680275 0.00185401 20
5869 131 H 29.7467 27.9711 32.0706 0.00069552 0.00550344 -0.014643 20
5870 132 H 30.0766 27.832 29.5827 -0.00195028 0.0022224 0.00233166 20
5871 133 H 29.194 26.0371 28.3074 -0.00556069 0.0123677 0.00326065 20
5872 134 H 22.5639 23.8126 31.0127 -0.00422262 -0.00582968 0.000508466 20
5873 135 H 22.9301 23.7562 28.662 0.00215919 -0.000503309 -0.00140687 20
5874 136 H 25.2824 23.7495 27.734 0.00699181 -0.0168622 -0.000202819 20
5875 137 H 29.6162 19.5077 31.8937 0.0196928 0.00597541 -0.00153368 20
5876 138 H 29.5642 19.5217 29.501 0.00334737 -0.00596008 0.0122541 20
5877 139 H 28.7056 21.359 28.2593 0.00560268 -0.00265131 -7.67539e-05 20
5878 140 H 29.6003 25.7838 22.7317 0.00210392 0.00813333 0.0102388 20
5879 141 H 28.1512 25.5781 24.7633 0.00960276 0.0111703 -0.0035455 20
5880 142 H 29.8211 20.0551 19.0869 -0.00565192 0.00215468 -0.00428345 20
5881 143 H 30.0867 20.1239 16.5792 -0.0102819 0.00697178 0.00158488 20
5882 144 H 30.8463 21.7992 20.4871 0.0065071 -0.0022698 -2.91442e-06 20
5883 145 H 37.1533 23.5432 20.0778 0.00309851 0.00357646 -0.0076129 20
5884 146 H 37.453 23.8651 17.6214 -0.00360253 0.00795974 -0.00596922 20
5885 147 H 34.8163 23.5978 21.0453 0.0123579 0.00514172 0.00439116 20
5886 148 H 30.643 28.3821 19.2673 -0.012054 -0.0126626 0.00498189 20
5887 149 H 31.4248 28.5859 16.9068 -0.0118415 0.00491301 0.0113582 20
5888 150 H 32.9206 24.0406 15.8309 -0.0160778 0.00530777 0.00149668 20
5889 151 H 30.9795 26.3798 20.5418 -0.00107769 0.00408186 0.00113181 20
5890 152 H 27.0744 23.8244 33.0347 -0.00413082 -0.00867546 -0.00302167 20
5891 153 H 37.1127 23.2975 14.6897 0.00295037 -0.0124658 0.00767301 20
5892 154 H 36.4277 22.2566 15.9601 -2.36172e-05 0.0133656 0.0161274 20
5893 155 H 34.1642 22.2483 14.67 -0.00177467 0.0113711 -0.000539795 20
5894 156 H 35.5533 21.2824 14.1581 -0.00494137 -0.00295412 0.00625558 20
5895 157 H 34.7949 21.9054 12.2117 0.00243517 0.00324644 -0.0070059 20
5896 158 H 36.0474 23.1149 12.4161 0.000588067 -0.00466663 -0.00900662 20
5897 159 H 34.5312 24.8941 12.6979 0.00189643 0.000824403 0.000149108 20
5898 160 H 33.1569 23.8463 13.107 -0.000250176 0.0041305 0.000595243 20
5899 161 H 33.0784 24.9202 10.872 0.013664 -0.00044308 -0.00530533 20
5900 162 H 32.7798 23.1795 11.0283 0.0032317 -0.00393611 -0.00196841 20
5901 163 H 35.0279 22.6484 10.074 0.0064986 0.00267808 0.00221505 20
5902 164 H 35.3593 24.4081 9.89494 0.0101914 -0.00674456 -0.0134428 20
5903 165 H 33.3517 24.6108 8.41533 -0.0107964 -0.00706044 0.0181693 20
5904 166 H 33.1093 22.9071 8.51063 -0.0104118 0.00794707 0.0121436 20
5905 167 H 35.3029 22.4975 7.45071 -0.00691353 0.00333499 0.011514 20
5906 168 H 35.5785 24.2533 7.43842 -0.00100067 -0.000381028 0.00904206 20
5907 169 H 33.5673 24.4234 5.90527 -0.00117196 0.000139127 -0.00700321 20
5908 170 H 33.4559 22.6689 5.86003 -0.00494083 0.00983621 0.00571381 20
5909 171 H 35.6179 22.4491 4.76128 0.00159026 0.00296301 -0.00841227 20
5910 172 H 35.8934 24.2077 4.92137 0.00841064 -0.000854329 -0.00675953 20
5911 173 H 33.7502 24.5168 3.45862 0.00835392 0.00607082 -0.00216719 20
5912 174 H 33.6697 22.7184 3.3198 -0.00342636 0.00107799 -0.00374924 20
5913 175 H 34.4991 23.8929 1.27181 0.00738163 -0.00640957 -0.00842776 20
5914 176 H 35.5648 22.6731 1.89774 -0.00663743 -0.00241706 -0.0113702 20
5915 177 H 35.896 24.4274 2.20707 0.000909307 -0.000993945 -0.00967103 20
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5918 180 H 30.3397 22.5759 13.0481 -0.00288305 -0.000994996 -0.0093931 20
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5920 182 H 31.3062 20.0394 11.6618 -0.00855731 -0.00882304 -0.0161465 20
5921 183 H 29.5994 20.214 12.1577 -0.00296829 0.00104731 0.00785209 20
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5923 185 H 30.3864 22.6391 10.7178 -0.00127999 0.00209282 -0.0146792 20
5924 186 H 31.9387 21.1973 9.62688 0.00019226 -0.000267464 0.000379336 20
5925 187 H 30.683 19.9767 9.29673 -0.00949571 0.00211585 -0.00483003 20
5926 188 H 29.4071 21.7375 8.00078 0.000574285 -0.00516063 0.0070568 20
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5928 190 H 32.2996 21.147 6.997 0.00219277 0.000187068 0.0055328 20
5929 191 H 30.9162 20.0304 6.83297 0.000152463 0.00442544 0.0089055 20
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5933 195 H 30.911 20.1754 4.22057 0.0067897 -0.0018572 0.0168931 20
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5944 206 H 32.2918 26.9821 12.7328 -0.0108942 0.0138586 0.00497961 20
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5949 211 H 35.584 28.2618 10.4404 -0.00916884 0.0138687 0.0118204 20
5950 212 H 34.7718 26.7891 11.0267 0.0121245 0.00736572 0.00707628 20
5951 213 H 35.1538 26.4104 8.78031 -0.00411618 -0.00548096 0.0100694 20
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5953 215 H 33.8597 29.1593 8.19883 0.00926516 0.00983606 -0.016192 20
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6042 2 C 33.3265 20.1959 29.3205 0.000437605 -0.00285717 0.00688454 21
6043 3 C 32.628 19.1944 28.6579 0.00145166 -0.00280958 -0.00116176 21
6044 4 C 31.9949 18.1675 29.3865 0.00185486 0.00037198 0.000754929 21
6045 5 C 31.8904 18.2165 30.7996 -0.00032299 4.14999e-06 0.00352837 21
6046 6 C 32.5096 19.3168 31.4799 0.00205707 0.0020667 0.000214287 21
6047 7 C 27.4334 16.8782 30.2648 -0.00375697 -5.38055e-05 0.00022034 21
6048 8 C 27.6004 16.9683 28.8809 0.000135895 0.00521336 0.000789169 21
6049 9 C 28.8563 16.908 28.3482 0.000216344 0.00484287 0.00102046 21
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6052 12 C 28.5284 16.8971 31.1488 -0.00322178 0.000913854 0.00104075 21
6053 13 C 33.0709 13.701 31.059 0.00308214 -0.00156125 0.00364957 21
6054 14 C 33.2763 13.6946 29.6833 -0.00100336 -0.00243154 -0.00352015 21
6055 15 C 32.7634 14.7222 28.8718 0.00034672 -0.000329309 0.00113071 21
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6057 17 C 31.4018 16.9288 28.724 1.08449e-05 -0.00121635 -0.00452218 21
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6062 22 C 31.7076 16.8795 27.2907 -0.00183791 0.0041257 0.000260751 21
6063 23 C 32.212 16.898 26.1895 1.84718e-05 0.00451631 -0.000210127 21
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6065 25 C 33.8037 15.8056 24.7553 -8.71108e-05 0.000116051 0.000256312 21
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6074 34 C 35.6822 14.7821 16.7237 0.00452805 0.000395971 -0.000235611 21
6075 35 C 36.0154 15.9381 17.4354 0.00123995 0.00179684 -0.000407799 21
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6081 41 C 39.2455 17.411 16.9102 -0.00162933 0.000493464 -0.00800654 21
6082 42 C 38.0031 17.3214 17.5354 -0.00263249 -0.00245245 -0.00185672 21
6083 43 C 37.8938 17.2694 18.9267 -0.00109824 -0.0015892 0.00229925 21
6084 44 C 39.0405 17.2285 19.7106 -0.00204158 0.0013547 0.00207691 21
6085 45 C 34.3843 20.4351 18.5877 0.000366017 0.00140563 0.0026442 21
6086 46 C 34.4903 20.3893 17.1685 0.00172995 -0.00315272 0.00310613 21
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6091 51 C 35.0463 19.4608 19.3477 0.00133596 0.00157877 0.000109411 21
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6094 54 O 35.1575 19.1784 15.1866 0.00167011 0.000978693 0.00174696 21
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6096 56 C 31.9279 15.8056 30.8648 -0.000166252 -0.000255784 0.00135138 21
6097 57 C 39.0891 16.6221 14.6472 0.00162508 0.00122619 0.00253039 21
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6099 59 C 39.0943 17.5264 12.2477 -0.00102206 0.00169334 0.00354874 21
6100 60 C 38.3788 17.3805 10.8868 0.00134425 0.00624497 0.00641226 21
6101 61 C 38.2011 15.8934 10.4239 0.00339662 -0.00196763 0.00323905 21
6102 62 C 37.5394 15.757 9.05512 -0.000425671 -0.0013888 -0.000755462 21
6103 63 C 38.1215 16.6112 7.91091 -0.00394934 -0.00180016 0.00116074 21
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6105 65 C 38.3105 16.9593 5.41708 0.000452107 -0.00278558 0.00454793 21
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6107 67 C 38.5193 17.2489 2.82565 0.000887395 -0.00196336 0.00148193 21
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6110 70 C 36.7907 13.5801 14.8699 0.00300788 -0.00217224 -0.00264719 21
6111 71 C 36.5409 13.4724 13.3724 0.00159574 -0.00392629 -0.00183048 21
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6113 73 C 37.3576 12.3963 11.1474 0.00145993 -0.00343901 -0.0040738 21
6114 74 C 38.5386 11.6547 10.5062 0.000695118 0.000173425 0.00578256 21
6115 75 C 38.1891 11.0881 9.14232 1.64622e-05 0.00319175 -0.00433198 21
6116 76 C 38.2598 12.0749 7.9786 -0.00363249 -0.00338671 0.00512494 21
6117 77 C 38.081 11.2767 6.6519 -8.32969e-05 0.00237069 -0.00455707 21
6118 78 C 38.4248 12.1049 5.42987 -0.00192519 0.00166024 0.00418239 21
6119 79 C 38.3195 11.2966 4.16638 0.00214114 -0.00200341 -0.000445036 21
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6121 81 C 38.9684 11.4019 1.69513 0.00172192 -0.00131534 -0.000963879 21
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6123 83 C 33.7555 18.9173 13.214 0.00118966 -0.00488342 -0.00260385 21
6124 84 C 34.849 18.2337 12.4144 0.00336386 0.000327413 -0.00387324 21
6125 85 C 34.5481 18.1908 10.8925 -0.0022408 0.00262515 -0.000493905 21
6126 86 C 34.3221 19.5909 10.3264 0.00224795 -0.000154687 -0.00173688 21
6127 87 C 33.8972 19.6202 8.84649 0.00122706 0.000756148 0.000161946 21
6128 88 C 34.7441 18.8737 7.79193 -0.00108245 0.00152801 -0.00604273 21
6129 89 C 34.3462 19.4156 6.41303 -0.00595266 0.00225037 -0.000162264 21
6130 90 C 35.0021 18.6946 5.20393 -0.00309117 0.000216516 0.00217412 21
6131 91 C 34.4714 19.3189 3.90255 0.00235973 0.00172366 0.00138485 21
6132 92 C 35.0244 18.6908 2.6512 0.00238971 -0.00148617 0.000262917 21
6133 93 C 34.4431 19.311 1.35049 -0.00301284 0.00554956 -0.0023707 21
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6135 95 C 26.9734 17.2118 34.6149 -0.000666438 -0.00177847 -0.000809051 21
6136 96 C 25.5265 17.1388 35.2448 0.00348251 -0.000735936 -0.000949568 21
6137 97 C 25.435 17.0293 36.7932 0.00122257 -0.000624652 -0.00262546 21
6138 98 C 26.638 17.5365 37.6187 -0.00102115 0.00446446 0.000494874 21
6139 99 C 26.421 17.6178 39.126 0.000528708 -0.000964061 -0.00479571 21
6140 100 C 25.5995 16.4595 39.7396 0.00253474 0.000837091 0.00338243 21
6141 101 C 25.6078 16.3304 41.2921 0.000387745 -0.00550042 -0.00298433 21
6142 102 C 25.5229 17.6718 42.047 -0.000740722 0.00357877 5.82938e-05 21
6143 103 C 24.9801 17.5499 43.4981 0.000502927 -0.000372437 -0.0010713 21
6144 104 C 25.8676 16.6581 44.4102 -0.00127269 -0.00481871 -0.00109145 21
6145 105 C 25.3554 16.6396 45.8706 0.00165944 -0.00315743 -0.00178692 21
6146 106 C 32.979 20.6297 33.4354 -0.000605022 0.00345987 -0.00245573 21
6147 107 C 33.01 20.5843 34.9401 0.00144075 -0.000455814 0.000490831 21
6148 108 C 33.4989 21.9533 35.5127 0.00256467 0.00213895 -0.00509354 21
6149 109 C 32.9504 22.2009 36.9486 0.00074533 -0.00289771 -0.000607991 21
6150 110 C 33.6722 21.4958 38.0977 0.00167012 0.000608326 0.00159138 21
6151 111 C 32.8832 21.7585 39.397 0.00400245 -0.00156339 0.0022124 21
6152 112 C 33.6469 21.2525 40.6781 -0.000411351 -0.00147372 -0.00087961 21
6153 113 C 32.762 21.3897 41.9313 -0.00465801 0.000152907 -0.000655391 21
6154 114 C 33.512 21.1625 43.2844 0.00155026 6.35542e-05 -0.00129794 21
6155 115 C 32.6209 21.5287 44.472 -0.00203904 0.000274829 0.00104477 21
6156 116 C 33.423 21.7812 45.7541 -0.000795826 -0.00388767 0.00208829 21
6157 117 C 33.6951 20.5263 46.6357 -0.00256706 -0.0042415 -0.00105634 21
6158 118 C 32.2132 13.6794 33.9759 -0.00243249 -0.00225548 -0.00124896 21
6159 119 C 33.6846 13.2767 34.2667 -0.00478379 0.00122842 -0.00368202 21
6160 120 C 33.9466 12.4935 35.5562 -0.000175505 0.000838377 0.000689 21
6161 121 C 33.4386 13.1659 36.8155 0.000639032 -0.00323081 -0.000210845 21
6162 122 C 33.9938 12.6309 38.1624 -0.000470764 -8.21649e-05 0.0028182 21
6163 123 C 33.1704 13.1228 39.3732 -0.00224126 -0.00190455 0.00268897 21
6164 124 C 33.7564 12.6793 40.6918 -0.000766735 0.00362818 -0.00231994 21
6165 125 C 32.944 13.1777 41.8481 -0.00277039 -0.00193915 0.000362027 21
6166 126 C 33.5011 12.6387 43.1916 0.00200567 0.00104058 -0.00184838 21
6167 127 C 32.7404 13.0889 44.4523 -0.00241233 0.00371636 -0.000215433 21
6168 128 C 33.3267 12.6076 45.8129 -0.000946092 0.000888154 0.00103781 21
6169 129 C 32.453 13.0661 47.0237 -0.00246486 0.00746767 0.00542402 21
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6186 146 H 41.3577 17.3429 17.2242 0.00462821 0.00386742 0.0060121 21
6187 147 H 38.9979 17.1509 20.793 -0.00927031 0.00909563 0.00233267 21
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6189 149 H 34.0087 21.1612 16.5755 0.0130134 -0.00304816 -0.00592555 21
6190 150 H 36.7072 17.1427 15.7058 -0.00979774 -0.0054938 -0.00207213 21
6191 151 H 35.0188 19.4908 20.4329 -0.00672542 -0.00906429 0.00020224 21
6192 152 H 31.0188 17.0264 32.4591 0.00243783 -0.00647761 0.00251829 21
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6195 155 H 37.609 17.9948 13.8232 0.00502661 0.00141754 0.0157151 21
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6197 157 H 40.0281 16.9516 12.2157 -0.00409784 -0.00291124 -0.00361955 21
6198 158 H 39.4096 18.5649 12.4068 0.00916182 -0.00141264 0.00360382 21
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6200 160 H 37.4066 17.8805 10.9765 -0.00541928 -0.00682648 0.00593725 21
6201 161 H 37.5806 15.3385 11.1383 0.00036281 0.00359711 0.00492355 21
6202 162 H 39.1706 15.3832 10.3681 0.00134555 -0.00530666 -0.00193606 21
6203 163 H 36.4671 15.9847 9.09715 0.000849816 0.00429656 0.000816733 21
6204 164 H 37.5529 14.6917 8.79366 0.00227107 -0.000425228 -0.0045192 21
6205 165 H 39.2164 16.6156 7.97863 -0.00397799 -0.00634113 0.00186446 21
6206 166 H 37.84 17.6636 8.03964 0.00619545 0.00206284 -0.0081453 21
6207 167 H 36.6066 16.1374 6.44153 0.00079512 0.00860574 0.0114615 21
6208 168 H 38.0339 15.1184 6.42111 -0.00611116 -0.00814996 0.00425578 21
6209 169 H 39.402 16.8854 5.4982 0.0029533 0.00997141 -0.0175471 21
6210 170 H 38.0612 18.0265 5.46598 0.0052695 -0.000907003 -0.0113316 21
6211 171 H 36.8116 16.496 3.8996 0.0042866 0.023584 -0.00572932 21
6212 172 H 38.1413 15.3725 3.94442 0.00716847 0.00124779 0.0051122 21
6213 173 H 39.6092 17.294 2.94152 0.000407443 -0.00455258 0.00699423 21
6214 174 H 38.1473 18.278 2.90354 -0.00856848 -0.0056717 0.00546995 21
6215 175 H 37.1373 16.7483 1.19602 0.00419502 0.00345772 -0.0174592 21
6216 176 H 38.4827 15.5878 1.35386 -0.00111447 -0.00405002 0.0020327 21
6217 177 H 38.8164 17.1432 0.633063 0.00766229 -0.0167803 -0.00371805 21
6218 178 H 37.8375 13.8811 15.0003 8.1998e-05 0.00635096 0.00119908 21
6219 179 H 36.6278 12.6402 15.4114 0.00349455 0.00742298 0.0141984 21
6220 180 H 35.6728 12.8183 13.2239 -0.00865652 0.0097286 -0.00211435 21
6221 181 H 36.2312 14.4572 13.0013 -0.00911233 -0.0061107 0.00126673 21
6222 182 H 38.5113 13.6636 12.5484 -9.77309e-05 0.00210969 -0.00236191 21
6223 183 H 38.0981 12.0191 13.0986 0.00720762 0.001961 -0.00380348 21
6224 184 H 36.5222 11.6955 11.2673 0.000813663 0.000859629 0.0168026 21
6225 185 H 37.0405 13.1997 10.4711 -0.00356186 0.00147394 0.00413801 21
6226 186 H 39.3785 12.3522 10.3989 -0.00329235 0.00299622 -0.00714322 21
6227 187 H 38.8362 10.835 11.1718 0.0119075 -0.00362141 -0.00391827 21
6228 188 H 38.9054 10.3068 8.85963 -0.000508323 0.00211433 -0.00266585 21
6229 189 H 37.1887 10.6476 9.23432 0.000819489 0.00459929 0.0114023 21
6230 190 H 37.4025 12.7537 8.06677 0.0125459 0.0169611 0.00529613 21
6231 191 H 39.2086 12.6252 7.9586 -0.00456159 -0.0020793 -0.00342773 21
6232 192 H 38.7013 10.3719 6.66468 -0.00100105 0.00160652 -0.0147948 21
6233 193 H 37.0325 10.9599 6.59105 0.00279326 -0.00901412 0.00525162 21
6234 194 H 37.8167 13.0152 5.36002 -0.00139689 0.000900809 -0.0103581 21
6235 195 H 39.4785 12.3897 5.53892 -0.00387867 0.00749456 0.007768 21
6236 196 H 38.9343 10.3902 4.22821 -0.00179818 -0.00461082 0.000525305 21
6237 197 H 37.2716 10.9911 4.0565 0.00194647 -3.15764e-05 -0.00401823 21
6238 198 H 38.146 13.056 2.83189 0.0081193 0.00898399 0.0108126 21
6239 199 H 39.819 12.5932 3.25651 0.00649884 -0.0266892 0.0063934 21
6240 200 H 37.9923 10.9879 1.4137 0.00521171 -0.00159529 -0.012592 21
6241 201 H 39.3838 12.0425 0.907411 0.00292664 0.00303157 0.00320305 21
6242 202 H 39.6588 10.5632 1.84784 -0.014361 -0.0110983 0.0181261 21
6243 203 H 33.9411 17.5457 14.9043 -0.00896998 0.00346354 0.0110324 21
6244 204 H 33.0786 19.0871 15.2753 0.0150025 0.0214264 0.00697313 21
6245 205 H 32.7492 18.6105 12.9031 0.000734959 0.00429504 -0.0101871 21
6246 206 H 33.7992 20.0044 13.0736 0.00246261 -0.00428194 0.00242753 21
6247 207 H 35.8027 18.7473 12.5878 0.00527891 -0.000310971 -0.0125031 21
6248 208 H 35.0137 17.2153 12.7873 -0.00129234 0.00799619 0.0191276 21
6249 209 H 35.3481 17.6929 10.3308 0.00312016 -0.00362966 0.0126997 21
6250 210 H 33.6759 17.5432 10.7403 -0.00810635 0.00738644 0.0128416 21
6251 211 H 33.5507 20.1164 10.9029 -0.00261587 -0.00338706 -0.00529194 21
6252 212 H 35.2806 20.1091 10.4535 0.00800848 -0.0109351 -0.00101948 21
6253 213 H 32.8612 19.2909 8.69949 0.00190268 -0.00354514 0.00511393 21
6254 214 H 33.9188 20.6834 8.57702 -0.00593912 0.00279848 0.0076586 21
6255 215 H 35.8264 18.9815 7.93476 -0.000785782 -0.0115262 0.00155682 21
6256 216 H 34.5129 17.8015 7.80843 0.0194931 -0.00293649 -0.00820496 21
6257 217 H 33.2605 19.3678 6.26359 -0.00518623 0.00572296 -0.00689791 21
6258 218 H 34.6097 20.4805 6.41431 0.00494661 -0.0004475 -0.011392 21
6259 219 H 36.0796 18.8796 5.2946 -0.00241094 -0.00750232 0.00989124 21
6260 220 H 34.8298 17.6143 5.28613 0.00288519 -0.000468292 0.00577385 21
6261 221 H 33.3934 19.1158 3.89504 0.00464425 -0.0104133 -0.000135288 21
6262 222 H 34.6107 20.4054 3.96212 0.0141276 -0.000114902 0.00746568 21
6263 223 H 36.114 18.8121 2.68778 0.0033613 -0.00965286 -0.00152574 21
6264 224 H 34.8256 17.6123 2.62402 0.00459204 -0.00221996 0.0138892 21
6265 225 H 34.6301 20.3896 1.27905 -0.00143767 0.00411852 -0.0198019 21
6266 226 H 34.863 18.8008 0.474816 0.0113974 0.00551316 0.00454676 21
6267 227 H 33.3516 19.2064 1.31518 -0.00255136 -0.00123726 0.00361997 21
6268 228 H 26.6168 18.1699 32.709 0.00446991 0.00256109 -0.000671184 21
6269 229 H 26.4245 16.3396 32.7145 0.00698525 -0.00130993 -0.010092 21
6270 230 H 27.5869 16.3592 34.9311 0.0030753 0.00156604 0.000940751 21
6271 231 H 27.4364 18.1354 34.9837 0.00764513 -0.00177193 -0.0113008 21
6272 232 H 24.9827 18.006 34.8502 -0.00367976 -0.00275711 0.00453861 21
6273 233 H 24.9307 16.38 34.7226 -0.0167108 0.00171021 0.0186126 21
6274 234 H 24.5246 17.5379 37.1335 0.00172063 -0.00017062 -0.00197225 21
6275 235 H 25.2435 15.9589 36.9384 0.00868896 -0.00330333 -0.0123574 21
6276 236 H 27.4767 16.8478 37.4582 0.00356874 0.0103468 -0.000734953 21
6277 237 H 26.9489 18.5049 37.2077 0.00407192 -0.00151266 -0.00980134 21
6278 238 H 27.3828 17.6902 39.6487 -0.00561692 0.00361589 0.00591188 21
6279 239 H 25.8799 18.5406 39.3691 0.00401389 0.000419424 -0.00228255 21
6280 240 H 24.5582 16.6501 39.4518 0.00458691 0.00640824 -0.000394109 21
6281 241 H 25.9843 15.5233 39.3166 0.00780666 0.00766084 -0.00692026 21
6282 242 H 24.7696 15.7025 41.6187 -0.00939412 0.0130325 0.00754522 21
6283 243 H 26.4943 15.7652 41.6053 -0.00192783 -0.00687972 0.00108427 21
6284 244 H 26.4948 18.1794 42.0149 -0.000819461 0.00284771 -0.0143519 21
6285 245 H 24.8313 18.3351 41.5131 0.00189942 0.00129937 -0.00619151 21
6286 246 H 24.9099 18.5016 44.0392 0.0195447 -0.00236508 0.0049783 21
6287 247 H 23.9923 17.0764 43.439 0.00226413 -0.00373498 -0.00367267 21
6288 248 H 25.8639 15.6353 44.0135 -0.00775271 -0.0134998 0.0213425 21
6289 249 H 26.8921 17.0501 44.4183 -0.00350743 0.000990608 0.00101961 21
6290 250 H 25.3662 17.6144 46.3737 -0.0126751 0.00205485 -0.0115949 21
6291 251 H 24.3164 16.291 45.821 0.000519955 0.00123091 -0.00905621 21
6292 252 H 25.9333 15.9586 46.5075 -0.00596247 -0.00074751 0.00771135 21
6293 253 H 34.014 20.8616 33.1556 0.00714032 -0.0168584 0.0092891 21
6294 254 H 32.2798 21.4056 33.0999 -0.0055349 0.0010061 0.00212022 21
6295 255 H 31.9909 20.4288 35.315 0.000218954 0.00313525 -0.0013125 21
6296 256 H 33.7407 19.8368 35.2728 -0.000400789 2.58437e-06 0.00555486 21
6297 257 H 34.5922 22.0431 35.5048 0.00401641 -0.0148767 0.00238904 21
6298 258 H 33.217 22.7597 34.8244 -0.00557471 0.00775305 0.00483619 21
6299 259 H 33.0374 23.2777 37.139 0.00126857 -0.00512306 0.0117413 21
6300 260 H 31.8819 21.9618 37.0155 0.000916998 -0.00719871 -0.0136622 21
6301 261 H 33.7575 20.4161 37.9234 0.0013999 9.85526e-05 0.00460817 21
6302 262 H 34.6693 21.9338 38.2301 0.00468804 -0.00385667 -0.0064822 21
6303 263 H 32.7312 22.8381 39.5188 0.00677607 0.000286759 -0.0107742 21
6304 264 H 31.8965 21.2792 39.3838 0.00543794 -0.00456242 0.00350581 21
6305 265 H 33.9495 20.201 40.5997 0.0088941 0.00213508 -0.0130887 21
6306 266 H 34.5245 21.8995 40.7989 0.00164159 -0.00723886 0.0149528 21
6307 267 H 32.3198 22.393 41.9677 -0.00764127 -0.000734126 -0.012873 21
6308 268 H 31.9264 20.6841 41.8455 0.000168676 -0.00678253 0.00939676 21
6309 269 H 33.8951 20.1366 43.3486 -0.00354437 -0.00171385 0.000568178 21
6310 270 H 34.4092 21.7927 43.3234 0.0032032 -0.00160144 -0.0126019 21
6311 271 H 32.0367 22.4137 44.1915 -0.00377004 0.00292355 0.0130734 21
6312 272 H 31.9617 20.6698 44.6488 -0.0127352 0.00921672 0.00437874 21
6313 273 H 34.3653 22.285 45.5058 0.00465143 -0.00724411 0.0159816 21
6314 274 H 32.8413 22.4978 46.347 0.00869215 0.00642228 -0.00105599 21
6315 275 H 34.1747 19.6852 46.1199 0.00409167 0.00667933 -0.0126665 21
6316 276 H 34.3416 20.7823 47.4841 -0.00922113 -0.000344222 0.00284141 21
6317 277 H 32.7501 20.2153 47.0981 0.000517105 0.00105694 0.00887964 21
6318 278 H 31.7616 13.9595 34.9356 -0.0227337 -0.0130192 -0.00771521 21
6319 279 H 31.7058 12.8407 33.4835 0.00387016 -0.00839944 0.00271535 21
6320 280 H 34.2941 14.1862 34.3357 0.000725203 -0.00222977 -0.00671662 21
6321 281 H 34.1055 12.698 33.4352 0.00942104 0.00613529 8.59256e-05 21
6322 282 H 35.018 12.2705 35.6331 -0.00477266 -0.0212516 0.0011496 21
6323 283 H 33.554 11.4738 35.4596 0.015391 -0.00455913 -0.00584242 21
6324 284 H 32.3577 12.9814 36.784 -0.000201062 -0.000114526 0.0107985 21
6325 285 H 33.5722 14.2542 36.7818 -0.00307445 -0.002632 0.0041616 21
6326 286 H 35.0288 12.9759 38.2774 0.000915912 -0.0044607 0.00346135 21
6327 287 H 34.0127 11.5349 38.2056 -0.00770719 -0.000191217 0.00320634 21
6328 288 H 32.1316 12.7708 39.3958 -0.00772224 0.0145638 0.00867308 21
6329 289 H 33.125 14.2135 39.2643 0.0120228 -0.00162898 -0.000586046 21
6330 290 H 34.7651 13.0985 40.7934 0.00139006 5.47761e-05 -0.00903022 21
6331 291 H 33.8517 11.5868 40.7181 -0.00443328 0.00312632 -0.00992838 21
6332 292 H 31.8851 12.9099 41.746 -0.00121561 -0.00911839 0.00313981 21
6333 293 H 32.9607 14.273 41.7892 -0.00196167 -0.00160258 0.00702053 21
6334 294 H 34.5035 13.0521 43.3579 0.00298307 -0.00323986 0.00294504 21
6335 295 H 33.6584 11.5533 43.167 -0.00104192 0.000221088 0.0146097 21
6336 296 H 31.6973 12.7496 44.4349 -0.00376349 0.00737553 0.00813116 21
6337 297 H 32.6147 14.178 44.4142 -0.00596778 0.00295691 -0.0106063 21
6338 298 H 34.2874 13.119 45.9511 -0.00445756 0.00787085 -0.000259553 21
6339 299 H 33.4776 11.5212 45.7961 0.00480166 0.00159619 0.00732763 21
6340 300 H 32.9308 12.7559 47.9612 0.00736221 -0.000366617 -0.00216553 21
6341 301 H 31.4337 12.6664 46.9548 -0.00163122 0.00435208 0.0112352 21
6342 302 H 32.4207 14.1616 47.0715 -0.0116253 0.00739268 0.000704604 21
6343 1 C 36.8296 27.0578 30.975 0.00351917 -0.00433875 -0.00270341 22
6344 2 C 37.0216 26.9114 29.6042 0.00512678 0.00261868 -0.00145802 22
6345 3 C 36.69 25.7156 28.9743 -0.00276743 0.000836479 -0.000568872 22
6346 4 C 36.0994 24.6862 29.7206 -0.00182458 -0.0054606 0.00212485 22
6347 5 C 35.8769 24.8172 31.1038 0.00569276 -0.000659551 0.0027292 22
6348 6 C 36.2634 26.0168 31.7563 0.00107478 0.00216082 -0.00179988 22
6349 7 C 31.3923 23.7412 30.4649 0.000964511 5.55536e-05 0.000358607 22
6350 8 C 31.5974 23.6224 29.0836 -0.00155547 -0.0020148 0.00108627 22
6351 9 C 32.9334 23.4966 28.6109 0.00359384 0.00100937 -0.00129778 22
6352 10 C 34.0021 23.5221 29.5126 -0.00526354 -0.00355941 0.000939875 22
6353 11 C 33.8017 23.6567 30.9156 -0.00261153 0.000443863 -0.00165791 22
6354 12 C 32.476 23.773 31.3766 -0.00242878 0.00397101 0.0024794 22
6355 13 C 37.073 20.226 31.6553 -0.00130821 -0.00219161 0.000561683 22
6356 14 C 37.2295 20.1235 30.2782 -0.00218532 -0.00190078 -0.00280026 22
6357 15 C 36.669 21.1178 29.4539 -0.00239952 0.00469395 -8.39664e-05 22
6358 16 C 36.0258 22.242 29.9872 -0.000332459 0.00368042 0.000645027 22
6359 17 C 35.4764 23.3923 29.1477 -0.000571272 0.000445905 0.00101183 22
6360 18 O 36.2575 21.3904 33.6559 -0.00289897 0.000819978 0.00238249 22
6361 19 O 32.2467 23.828 32.7153 0.0049158 -0.000389106 0.000354737 22
6362 20 O 35.9123 26.2072 33.0563 -0.0013409 0.00116952 -0.0021181 22
6363 21 C 36.3785 21.3208 32.2538 -0.00185655 0.00442126 -0.00134928 22
6364 22 C 35.7537 23.251 27.7202 0.000189023 0.000782245 0.000929181 22
6365 23 C 36.2838 23.2281 26.6307 -0.00278519 0.0022418 0.00427152 22
6366 24 C 37.0011 23.2969 25.4089 0.0030482 0.000637387 -0.0006823 22
6367 25 C 37.9959 22.3297 25.1623 -0.00185428 0.00302608 -0.00439752 22
6368 26 C 38.7799 22.4406 24.0394 0.00194938 -0.00381882 -0.00323204 22
6369 27 C 38.5938 23.5427 23.1504 0.00225499 -0.000168765 0.00452372 22
6370 28 C 37.5799 24.508 23.395 -0.00431944 -0.00630752 -0.00353547 22
6371 29 C 36.801 24.387 24.5239 0.00342159 0.00225723 -0.00271221 22
6372 30 C 39.4012 23.6533 21.987 -0.000370409 0.000908511 -0.00390021 22
6373 31 C 39.9727 23.7686 20.9278 0.00116021 -0.00156422 -9.7872e-05 22
6374 32 C 38.373 20.6365 18.4815 -0.000823531 0.000573947 -0.000609439 22
6375 33 C 38.4435 20.6924 17.1129 -0.000990798 0.00109051 -0.00151822 22
6376 34 C 39.1321 21.7657 16.5182 -0.000485058 0.000367198 0.00300709 22
6377 35 C 39.7913 22.6941 17.3476 -0.00442815 -0.000941439 0.000782368 22
6378 36 C 39.6485 22.6645 18.7451 0.0014725 -0.00115737 -0.00194504 22
6379 37 C 38.9768 21.5776 19.3236 0.000236777 -0.00239415 0.00113465 22
6380 38 C 40.2797 23.8522 19.4994 -0.00100854 -0.00128652 -0.00375931 22
6381 39 C 44.1403 23.9455 19.2475 0.00163892 -0.00333067 0.000179136 22
6382 40 C 44.278 23.9567 17.848 -0.000955511 0.000109388 -0.00300413 22
6383 41 C 43.1674 23.9046 17.0374 0.000658015 0.00332366 -0.000117681 22
6384 42 C 41.8878 23.8282 17.6167 0.001278 -0.00556963 -0.00236254 22
6385 43 C 41.7473 23.83 19.0344 -0.00558266 -0.00583154 0.00037161 22
6386 44 C 42.8691 23.8786 19.8652 -0.00298017 0.00177041 0.00148897 22
6387 45 C 38.6794 27.2928 18.8297 0.00184985 0.000966382 0.0014962 22
6388 46 C 38.8727 27.3604 17.4582 0.00152417 0.00168556 0.000893218 22
6389 47 C 39.455 26.3218 16.7029 -0.000669845 -0.000847775 -0.00510548 22
6390 48 C 39.8775 25.1627 17.4286 -0.000911244 -0.00348321 0.00350337 22
6391 49 C 40.5789 23.9096 16.8567 0.00209443 -0.00187994 -0.00089387 22
6392 50 C 39.6872 25.0875 18.8177 0.000788492 0.000183226 -0.000741854 22
6393 51 C 39.0943 26.1637 19.5178 0.00367167 0.00159084 -0.00467322 22
6394 52 O 43.3408 24.032 15.6835 -0.00204769 -0.0004573 -0.00114359 22
6395 53 O 39.1822 21.924 15.1477 0.00445468 -0.00785697 3.0741e-05 22
6396 54 O 39.6267 26.5887 15.3319 0.000863481 0.00112625 0.00105563 22
6397 55 C 35.0881 23.6524 31.774 -0.00329926 -0.000437035 0.00445358 22
6398 56 C 35.9225 22.3795 31.3907 0.00167166 -0.00240557 0.00122943 22
6399 57 C 43.5902 22.9719 14.8134 -0.00378617 0.0018838 -0.00124113 22
6400 58 C 42.6119 23.192 13.6544 0.00227379 -0.00105368 -0.00139876 22
6401 59 C 43.1065 22.6647 12.2924 0.000920131 0.00382003 0.00109664 22
6402 60 C 42.0178 22.8748 11.2199 -0.00196709 -0.00235395 -0.00141211 22
6403 61 C 42.384 22.6185 9.76037 0.00451058 -0.00558406 0.0038077 22
6404 62 C 43.0863 23.8328 9.12999 0.00738249 0.00184338 -0.00241347 22
6405 63 C 42.467 24.3631 7.84352 0.00145768 0.000337094 0.00208131 22
6406 64 C 42.5627 23.3836 6.65666 0.000172228 -0.000854307 -0.000300235 22
6407 65 C 42.5125 24.1421 5.30269 -0.000218193 0.0013659 0.00102161 22
6408 66 C 42.6427 23.0815 4.14392 -0.00250458 0.00599269 -0.00256941 22
6409 67 C 42.5163 23.6745 2.71364 -0.00310484 -0.00269358 -0.00256407 22
6410 68 C 43.4933 24.8173 2.39959 -0.0021936 0.00363426 0.00254748 22
6411 69 F 39.8564 21.6535 23.8867 -0.000670904 -0.00162778 -5.78326e-06 22
6412 70 C 38.6964 20.9021 14.2586 -0.00236392 -0.00262435 0.00204363 22
6413 71 C 39.1959 21.2546 12.8074 0.00472565 -0.00015496 0.00199486 22
6414 72 C 38.1905 20.9169 11.6729 -0.000904709 -0.00091029 -0.00297272 22
6415 73 C 38.8723 20.8796 10.3066 0.00450385 0.00286221 -0.00186144 22
6416 74 C 37.8161 20.7022 9.16933 -0.00101718 -0.00204563 0.000208832 22
6417 75 C 38.3539 20.4396 7.76663 0.00147845 -0.00315046 0.00226102 22
6418 76 C 38.5649 21.7213 6.92263 0.00252778 0.00152844 0.00164708 22
6419 77 C 38.6161 21.3809 5.43774 -0.0006065 0.0018085 0.000700585 22
6420 78 C 38.7078 22.5955 4.52151 0.00227129 -0.00379197 -0.00210858 22
6421 79 C 38.4826 22.2103 3.07363 -0.000411096 -0.000222147 0.00352449 22
6422 80 C 39.5903 21.3284 2.45273 -0.000268104 -0.00492379 0.000632608 22
6423 81 C 39.0114 20.5867 1.26496 0.0015896 0.00241175 -0.00221612 22
6424 82 C 40.6348 26.0903 14.4235 0.000270341 0.00247427 -0.00430622 22
6425 83 C 40.843 27.2126 13.3866 0.00124698 -0.000280078 0.00326388 22
6426 84 C 41.3431 26.7842 12.0139 0.000378949 0.000736016 -0.00315995 22
6427 85 C 41.3745 27.9465 11.0043 -0.000423286 0.00454634 0.00211164 22
6428 86 C 41.9612 27.5724 9.62054 -0.00190373 -0.00288873 0.00622242 22
6429 87 C 42.3977 28.8182 8.83216 0.00123805 -0.00474052 0.00421881 22
6430 88 C 42.9325 28.4513 7.40787 0.00455343 -0.00405632 0.00345337 22
6431 89 C 41.8298 27.9901 6.45789 -0.00328232 -0.0075315 0.00379326 22
6432 90 C 42.2537 27.6971 4.97514 0.00357324 -0.00120491 0.00383103 22
6433 91 C 42.4126 29.0114 4.15131 0.00112626 0.00260012 0.00466113 22
6434 92 C 42.9125 28.7211 2.71607 0.00252885 -0.000507806 0.00176846 22
6435 93 C 41.8603 28.0154 1.87203 0.000366542 0.000189125 0.00159338 22
6436 94 C 30.9351 23.9622 33.2045 0.000640209 -3.51034e-05 -0.00254141 22
6437 95 C 30.829 23.7152 34.7234 0.00254 -0.00172594 0.00347064 22
6438 96 C 29.4686 24.1929 35.2467 -0.000965986 -0.00127905 0.00217312 22
6439 97 C 28.9342 23.8073 36.6321 -0.0016824 -0.00243222 0.000752465 22
6440 98 C 29.8325 24.0175 37.8632 0.00206832 -0.00241842 0.00085571 22
6441 99 C 29.0233 23.8314 39.1539 -0.00175317 -0.00660298 0.00250491 22
6442 100 C 29.9552 23.6787 40.3607 -0.00219109 0.000768736 -0.000917379 22
6443 101 C 29.171 23.8525 41.7149 -0.000722905 0.00277275 0.0068909 22
6444 102 C 29.9578 23.5873 42.9714 -0.00194483 1.16794e-05 0.00608026 22
6445 103 C 29.1536 23.865 44.2171 0.00326378 -0.0012483 0.000732445 22
6446 104 C 29.9511 23.5029 45.495 0.00337966 -0.000511522 -0.00198616 22
6447 105 C 29.218 23.9601 46.7601 0.00435003 0.00215612 -0.0031696 22
6448 106 C 35.8682 27.3794 33.8633 -0.00318341 0.00328796 0.00192393 22
6449 107 C 37.2744 27.9426 34.1662 -0.00119639 0.000315568 0.000341711 22
6450 108 C 37.4446 28.7951 35.4676 9.20858e-05 -0.00240376 0.000590558 22
6451 109 C 36.8952 28.1613 36.7209 -0.0029304 -0.00144978 -0.00396238 22
6452 110 C 37.5274 28.7369 38.0311 -0.00331606 -0.000250262 0.00383641 22
6453 111 C 36.9847 27.9879 39.2606 -0.00170999 -0.0045013 0.00262093 22
6454 112 C 37.9029 28.2255 40.4444 0.0010207 0.00109314 0.000618361 22
6455 113 C 37.5262 27.4724 41.7509 0.000454663 -0.00157889 0.00129125 22
6456 114 C 36.5555 28.29 42.6495 0.00103282 -0.00251236 -0.00271021 22
6457 115 C 36.6067 27.9482 44.1501 0.00132198 -0.00077087 0.00151574 22
6458 116 C 37.9346 28.4236 44.7775 0.000646077 -0.00163753 -0.000379531 22
6459 117 C 38.0069 28.2903 46.3 0.0012792 0.00227225 -0.00362598 22
6460 118 C 36.8393 20.2797 34.4413 -0.00088989 0.00162847 0.000497845 22
6461 119 C 36.7438 20.4434 35.9679 -0.00261795 -0.00262953 0.00121483 22
6462 120 C 37.3533 19.2401 36.7524 -0.00428938 -0.000595667 0.000580739 22
6463 121 C 37.8826 19.5875 38.2307 0.00227259 -0.002505 -0.00132637 22
6464 122 C 36.88 19.592 39.3448 -0.00422121 0.00197281 0.00216378 22
6465 123 C 37.5776 19.7419 40.7381 0.00437467 -0.00230209 0.00452462 22
6466 124 C 36.6416 19.4869 41.9584 -0.000165621 0.000875678 -0.000577476 22
6467 125 C 37.3899 19.4196 43.3178 -0.00129067 -0.00207837 -0.000885788 22
6468 126 C 36.5284 19.0608 44.5108 -0.000926102 0.00189503 0.000782847 22
6469 127 C 37.3511 18.9715 45.8345 0.000993277 -0.000657085 0.00301126 22
6470 128 C 37.6746 20.347 46.4474 -0.000191162 0.00311119 0.00295962 22
6471 129 C 38.5242 20.1601 47.7347 0.00149252 0.00166076 0.0023905 22
6472 130 F 38.1163 21.2844 25.9762 0.00143887 0.000453023 -0.00412875 22
6473 131 H 37.0194 28.0315 31.417 0.00661254 -0.0138996 0.0170125 22
6474 132 H 37.4275 27.7182 29.0011 -0.00318763 0.0238551 0.0213999 22
6475 133 H 36.8124 25.5844 27.9032 -0.00919776 0.00806173 -0.00218033 22
6476 134 H 30.3647 23.914 30.7707 0.000846033 0.00172902 -0.000972787 22
6477 135 H 30.7648 23.672 28.388 0.00301807 -0.0052988 -0.0046244 22
6478 136 H 33.0763 23.4493 27.5354 0.0168597 0.000480056 0.00051223 22
6479 137 H 37.4534 19.3941 32.2406 0.00416822 0.00643066 0.00924502 22
6480 138 H 37.7474 19.293 29.8077 0.0122556 0.00466585 0.00150104 22
6481 139 H 36.7525 20.9753 28.3805 0.000282957 0.00668791 -0.000138353 22
6482 140 H 37.3657 25.3131 22.6982 0.0136143 0.0142185 0.0147239 22
6483 141 H 36.094 25.1674 24.7895 0.00408379 -0.00233599 0.0126304 22
6484 142 H 37.8175 19.842 18.971 0.00020386 0.00439131 0.0067694 22
6485 143 H 37.8971 19.9737 16.5093 0.00444385 -0.0076659 0.00401437 22
6486 144 H 38.969 21.3964 20.3944 0.00212327 -0.00538581 0.000648238 22
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6488 146 H 45.2483 24.0704 17.3736 0.00055566 -0.00639143 -0.00146971 22
6489 147 H 42.7644 23.972 20.9421 0.013627 0.00069209 0.0031954 22
6490 148 H 38.1859 28.1101 19.3472 0.0113136 7.90254e-07 0.012033 22
6491 149 H 38.5275 28.2644 16.9652 0.000655122 -0.00134597 -0.00405157 22
6492 150 H 40.6948 23.9201 15.7659 0.000671945 -0.012719 -0.00114656 22
6493 151 H 38.8444 26.0859 20.5718 0.00954965 0.00709198 -0.00288841 22
6494 152 H 34.9349 23.7482 32.856 0.00555274 0.000561564 0.00562544 22
6495 153 H 44.6335 23.0939 14.4969 0.00176377 0.0198159 0.0238381 22
6496 154 H 43.524 21.9827 15.2831 0.00554399 9.77704e-05 -0.00365352 22
6497 155 H 42.3772 24.258 13.5447 0.01199 0.000866223 -0.00328735 22
6498 156 H 41.6263 22.8203 13.9608 0.00794585 -0.00948973 0.00655745 22
6499 157 H 43.3522 21.6002 12.3924 -0.0194141 -0.00124612 -0.00320692 22
6500 158 H 44.0585 23.1357 12.0183 -0.000142825 0.00634197 0.0017497 22
6501 159 H 41.5275 23.85 11.3298 -0.0104533 -0.00651923 -0.00215009 22
6502 160 H 41.2019 22.1916 11.4865 -0.00840843 0.0093188 0.00889797 22
6503 161 H 41.4823 22.4159 9.16927 0.00228383 -0.00259691 0.00618359 22
6504 162 H 42.9894 21.7085 9.66671 0.016684 0.00373072 -0.00793788 22
6505 163 H 44.1158 23.5037 8.94251 0.00210368 -0.0148384 -0.00221172 22
6506 164 H 43.1678 24.621 9.88864 0.00662674 -0.0033604 0.00309026 22
6507 165 H 43.0573 25.249 7.57849 0.0107631 -0.00504973 0.0047318 22
6508 166 H 41.4199 24.6468 8.00587 -0.0018397 -0.00562301 -0.00873879 22
6509 167 H 41.7174 22.6894 6.74051 -0.00226331 0.00259863 0.0038368 22
6510 168 H 43.523 22.8568 6.7181 -0.0036614 -0.00946113 -0.0144187 22
6511 169 H 43.355 24.8394 5.21626 0.00170331 -0.00445061 -0.0275524 22
6512 170 H 41.5974 24.7467 5.3267 -0.00498229 -0.00540981 -0.0118975 22
6513 171 H 41.8903 22.2905 4.25182 0.00229383 0.00161187 -0.00125272 22
6514 172 H 43.6392 22.6333 4.24205 -1.55313e-05 0.0114523 -0.00279687 22
6515 173 H 41.485 24.0139 2.55665 -0.00117518 0.00508941 0.00162274 22
6516 174 H 42.6864 22.8771 1.97974 -0.00434621 -0.0028891 -0.00263897 22
6517 175 H 44.5206 24.4327 2.4099 -0.00360087 -0.000152074 0.00184656 22
6518 176 H 43.4089 25.6386 3.12189 0.00602953 0.00861259 -0.00216395 22
6519 177 H 43.3497 25.1565 1.36628 0.00879077 -0.0076579 -0.00272655 22
6520 178 H 39.1504 19.9374 14.5171 0.0206681 0.00946066 0.00671192 22
6521 179 H 37.6077 20.776 14.3063 -0.0034028 0.00680847 0.00307162 22
6522 180 H 39.457 22.3192 12.7657 -0.0182495 0.00575411 0.00912763 22
6523 181 H 40.1319 20.7054 12.647 0.00191487 -0.00484687 0.00166127 22
6524 182 H 37.6836 19.9626 11.8617 -0.00826182 0.00465818 0.00542012 22
6525 183 H 37.398 21.6752 11.6557 -0.00258056 -0.00297538 -0.0166232 22
6526 184 H 39.4378 21.8119 10.1865 -0.00671746 0.00745282 -0.0188818 22
6527 185 H 39.6058 20.0639 10.3062 0.00507122 0.00336958 0.00135097 22
6528 186 H 37.2169 19.825 9.44291 0.00581538 -0.00574833 0.00330056 22
6529 187 H 37.1213 21.5493 9.11401 -0.00959762 -0.0097333 -0.00998596 22
6530 188 H 39.2834 19.8658 7.86711 0.0102207 0.00892222 -0.00973699 22
6531 189 H 37.636 19.8282 7.20598 0.00890221 0.000804787 -0.0115854 22
6532 190 H 37.7484 22.4309 7.10519 0.00572685 0.00827563 -0.0102652 22
6533 191 H 39.4906 22.2737 7.12579 -0.00760767 0.0190458 0.000407204 22
6534 192 H 39.4858 20.7445 5.23264 -0.0014508 -0.000332552 0.00378562 22
6535 193 H 37.7594 20.7663 5.13499 -0.0106224 0.00856221 0.0154385 22
6536 194 H 37.8952 23.3065 4.71537 0.00930675 0.00678517 -0.0112947 22
6537 195 H 39.6628 23.1191 4.65345 -0.00891016 0.01242 0.0145366 22
6538 196 H 37.5112 21.7108 2.97167 0.00111222 -0.00115606 -0.00651335 22
6539 197 H 38.3745 23.1471 2.51313 0.003762 0.00702483 0.0148072 22
6540 198 H 40.4142 22.0005 2.18285 -0.00421233 0.00123663 0.00386193 22
6541 199 H 39.9321 20.5771 3.17531 0.0117016 -0.00709268 -0.00730613 22
6542 200 H 39.7665 19.9236 0.824862 0.00397459 0.0110086 -0.0110769 22
6543 201 H 38.1704 19.9486 1.56321 -0.00380137 0.0123096 0.00370697 22
6544 202 H 38.7028 21.2966 0.487714 0.000757005 0.00870634 0.00386569 22
6545 203 H 41.5655 25.831 14.9432 -0.000168539 0.00715174 -0.00118967 22
6546 204 H 40.2755 25.2155 13.8676 -0.00699243 0.00395883 -0.00194149 22
6547 205 H 39.8799 27.7151 13.2335 -2.29101e-05 -0.00268626 0.00336224 22
6548 206 H 41.5401 27.9731 13.7594 0.00388873 0.00136298 -0.00500168 22
6549 207 H 42.3585 26.377 12.0951 0.00263114 0.00847011 0.00730648 22
6550 208 H 40.7645 25.9756 11.5504 6.79858e-06 0.000381772 -0.00206892 22
6551 209 H 40.3713 28.3571 10.8361 -0.00233795 0.0010349 0.00498201 22
6552 210 H 41.9653 28.7583 11.4462 0.00356138 0.00464446 -0.00339795 22
6553 211 H 42.7492 26.8108 9.66888 0.00149867 3.58406e-05 -0.00310159 22
6554 212 H 41.1309 27.1296 9.05655 0.0045584 0.0062718 -0.0104753 22
6555 213 H 41.6016 29.5711 8.77927 0.00357932 -0.0024265 0.00190641 22
6556 214 H 43.2659 29.2123 9.37481 -0.00434189 0.00147555 0.00859222 22
6557 215 H 43.4091 29.3501 6.99772 0.00589689 -0.0113733 -0.0109887 22
6558 216 H 43.668 27.6381 7.44327 0.0112371 0.00174829 -0.00225081 22
6559 217 H 41.4487 27.0358 6.84183 0.00118068 -0.00964943 0.00296233 22
6560 218 H 40.9729 28.6751 6.46453 0.00908398 0.00795777 -0.00103577 22
6561 219 H 43.1572 27.0794 4.9011 0.00377404 0.000720171 -0.0100635 22
6562 220 H 41.4748 27.1285 4.45226 0.00942151 -0.0104494 0.00519086 22
6563 221 H 41.4589 29.5535 4.13968 -0.0093685 -0.0159742 -0.000365652 22
6564 222 H 43.1205 29.6484 4.69578 0.0149147 -0.00526323 -0.00410634 22
6565 223 H 43.1122 29.6654 2.19472 -0.0136719 -0.000459326 -0.00438813 22
6566 224 H 43.8285 28.1175 2.70495 0.00187339 -0.00171238 0.0142269 22
6567 225 H 40.9201 28.5771 1.80956 0.000362315 -0.000927724 -0.00847903 22
6568 226 H 42.2116 27.8579 0.844805 -0.00554174 -0.000386409 -0.000343019 22
6569 227 H 41.6788 26.9989 2.24232 -0.00844129 -0.000574366 -0.00480935 22
6570 228 H 30.5559 24.9565 32.9383 0.0139843 0.00616346 0.00166137 22
6571 229 H 30.3001 23.233 32.6863 -0.00513699 -0.00163488 0.00681428 22
6572 230 H 30.8876 22.6269 34.8481 0.0147116 -0.00155699 -0.000834854 22
6573 231 H 31.6861 24.2092 35.1976 0.00696946 -0.00136081 -0.00486773 22
6574 232 H 29.5852 25.2803 35.3326 0.0195902 -0.0029818 -0.00427273 22
6575 233 H 28.7059 23.9756 34.4887 -0.00387496 0.00609149 0.00298927 22
6576 234 H 28.01 24.375 36.7963 7.75924e-05 0.00187561 -0.00427323 22
6577 235 H 28.5763 22.7705 36.617 -0.0219542 0.00449275 0.00475956 22
6578 236 H 30.6925 23.3365 37.8601 0.00354671 -0.000505528 -0.010046 22
6579 237 H 30.2544 25.0301 37.8681 -0.0125371 0.00362788 0.00839126 22
6580 238 H 28.4071 24.7322 39.265 0.00958052 0.00249043 -0.008232 22
6581 239 H 28.3543 22.9628 39.1165 -0.0091724 -0.000714382 -0.00142431 22
6582 240 H 30.3955 22.674 40.3647 0.00431833 0.0036342 0.00244425 22
6583 241 H 30.7742 24.4086 40.3686 -0.00299127 0.0017989 -0.0183452 22
6584 242 H 28.8301 24.8948 41.7431 -0.00343689 0.00176963 0.0109864 22
6585 243 H 28.285 23.2068 41.7538 0.0010473 -0.00138461 -0.0225935 22
6586 244 H 30.237 22.5266 42.9899 0.0151229 0.00443084 0.00119058 22
6587 245 H 30.8541 24.2196 42.9856 -0.0107868 0.0129216 -0.0113935 22
6588 246 H 28.8879 24.9286 44.1766 -0.00236022 -0.0028511 -0.004677 22
6589 247 H 28.221 23.2875 44.2322 0.00402822 -0.00290429 -0.0172737 22
6590 248 H 30.0941 22.4183 45.5766 0.0045306 0.000516402 0.00980572 22
6591 249 H 30.9335 23.9845 45.4165 0.00607592 -0.00526114 0.00275021 22
6592 250 H 28.2087 23.54 46.6692 0.0062461 -0.0034327 0.00161167 22
6593 251 H 29.6969 23.6044 47.6807 0.014843 0.0157457 -0.00335913 22
6594 252 H 29.1765 25.0483 46.8922 -0.0192357 -0.000285764 0.00965173 22
6595 253 H 35.1793 28.1271 33.4513 0.000765695 -0.00447371 -0.0187509 22
6596 254 H 35.5094 27.0651 34.8511 0.0020039 -0.00393799 0.00150346 22
6597 255 H 37.941 27.0714 34.1715 0.00626374 0.00606908 0.00549824 22
6598 256 H 37.5812 28.6233 33.3625 0.00347441 -0.00324289 -0.000878404 22
6599 257 H 38.4983 29.0693 35.6013 0.00231032 -0.00174847 -0.0182841 22
6600 258 H 36.992 29.7894 35.3683 0.0121313 0.00492079 0.018675 22
6601 259 H 35.8122 28.3166 36.8015 -0.00241344 0.00583955 -0.0113195 22
6602 260 H 37.0296 27.0727 36.7037 -0.00121336 -0.00132604 0.00144364 22
6603 261 H 38.6072 28.5507 37.9784 -0.00136834 0.0147661 -0.00887061 22
6604 262 H 37.3201 29.8097 38.129 0.0109981 0.00325658 -0.00444755 22
6605 263 H 35.9587 28.3178 39.4651 -0.0015122 0.0108232 -0.0209884 22
6606 264 H 36.9857 26.9124 39.0448 0.00823441 -0.00436482 0.00194693 22
6607 265 H 38.8949 27.8519 40.1618 -0.00299717 0.00522117 -0.0189081 22
6608 266 H 37.9771 29.3062 40.6176 -0.0147748 0.00340737 -0.00699417 22
6609 267 H 37.0573 26.5073 41.5228 0.00803512 -0.0057805 0.00350598 22
6610 268 H 38.4047 27.2318 42.3623 -0.00946759 -0.00939038 0.0125476 22
6611 269 H 36.8285 29.3521 42.6227 0.00806585 -0.00461375 -0.0138679 22
6612 270 H 35.5389 28.1733 42.2541 0.00156189 0.00154109 -0.00526006 22
6613 271 H 35.7644 28.4376 44.6546 0.00138688 0.000640671 0.000253215 22
6614 272 H 36.4917 26.8701 44.3168 0.00169069 -0.000793106 0.00162731 22
6615 273 H 38.7544 27.841 44.3394 0.0108189 0.0209279 -0.0113623 22
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6617 275 H 38.1776 27.2441 46.5825 -0.000316699 0.00298012 -4.52774e-05 22
6618 276 H 38.845 28.8733 46.7015 0.00399267 -0.00613817 0.00293315 22
6619 277 H 37.057 28.6271 46.7331 -0.00664007 -0.0050451 -0.0152774 22
6620 278 H 36.3277 19.357 34.1409 0.0146306 -0.0102384 0.0105432 22
6621 279 H 37.9 20.1228 34.2097 -0.00102468 -0.00168474 0.00210329 22
6622 280 H 35.7093 20.524 36.3237 -0.00095894 0.0167661 0.00161742 22
6623 281 H 37.3083 21.318 36.3141 -0.00533103 0.00327896 -0.00936092 22
6624 282 H 38.2514 18.9198 36.2098 0.00834183 -0.00725865 0.0253741 22
6625 283 H 36.6522 18.3964 36.7438 0.00559872 -0.00884413 0.00459689 22
6626 284 H 38.4506 20.5245 38.1774 8.25433e-06 -0.000688582 0.00691733 22
6627 285 H 38.6625 18.8442 38.4376 0.00659957 0.00101766 -0.00489983 22
6628 286 H 36.3313 18.6428 39.3821 0.00447351 -0.00337893 -0.00696028 22
6629 287 H 36.0938 20.3429 39.1983 -0.00192835 0.0014824 -0.0125499 22
6630 288 H 38.0085 20.7499 40.7789 -0.0094148 0.00409726 -0.00730757 22
6631 289 H 38.3773 19 40.8544 0.001528 -0.00505511 0.00661037 22
6632 290 H 36.1533 18.5161 41.8084 0.000113981 -0.000227338 0.00563348 22
6633 291 H 35.9239 20.3161 41.9863 0.00261706 0.00333109 -0.001651 22
6634 292 H 37.8974 20.3632 43.553 -0.00614887 0.0049622 -0.0187951 22
6635 293 H 38.183 18.6645 43.2524 -0.00593135 -0.00816539 0.0131231 22
6636 294 H 36.0907 18.0658 44.3639 -0.00769615 0.004866 0.000874809 22
6637 295 H 35.727 19.7938 44.6653 -0.00574294 0.000734745 -0.0189722 22
6638 296 H 38.2664 18.3889 45.6723 0.00123106 -0.000317011 0.00313313 22
6639 297 H 36.6956 18.4507 46.5434 0.00866144 -0.00731 0.00519053 22
6640 298 H 36.7332 20.8839 46.6174 -0.0042236 -0.00527936 0.00715967 22
6641 299 H 38.2516 20.9025 45.6978 -0.0165584 0.0152803 -0.000621804 22
6642 300 H 38.9787 21.1147 48.0273 0.0091205 -0.000709809 -0.00169688 22
6643 301 H 39.362 19.4709 47.5719 0.00219754 0.00176241 0.00559266 22
6644 302 H 37.8841 19.8265 48.5608 0.00919181 -0.00410877 0.00600584 22
6645 1 C 41.02 20.2558 31.2474 0.00220013 0.00383601 0.00171495 23
6646 2 C 41.1477 20.1895 29.8451 -0.00377563 -0.00121627 -0.00147133 23
6647 3 C 40.6646 19.0759 29.1738 -0.00484683 0.00302603 0.000324118 23
6648 4 C 40.026 18.026 29.8499 0.000804158 0.000380519 0.000483751 23
6649 5 C 39.8285 18.1028 31.2862 0.00201809 0.00446517 -0.00228477 23
6650 6 C 40.3015 19.255 31.9928 0.00120412 -0.00238935 0.00168393 23
6651 7 C 35.3444 16.8525 30.6071 -0.00121764 0.00256745 0.0012518 23
6652 8 C 35.5567 16.8811 29.2293 -0.0015446 0.000435391 0.00126449 23
6653 9 C 36.8512 16.7829 28.7456 -0.000673841 0.00123582 0.0016044 23
6654 10 C 37.9543 16.7511 29.64 -0.00242986 0.00348568 -0.00113686 23
6655 11 C 37.7556 16.8259 31.0351 0.00224115 0.00536113 0.00483396 23
6656 12 C 36.4296 16.9498 31.5377 -0.000716141 -0.00814499 0.00138569 23
6657 13 C 41.1721 13.5549 31.4497 0.00142387 0.000118449 0.00183721 23
6658 14 C 41.2405 13.4927 30.0423 -0.00328837 0.00040727 -0.00147579 23
6659 15 C 40.6984 14.5474 29.2695 -0.000681932 -0.00206115 -0.00197485 23
6660 16 C 39.9984 15.5623 29.9509 -0.000200543 -0.00229636 -0.000760701 23
6661 17 C 39.4124 16.7642 29.209 -0.000669559 0.00293856 -0.000512457 23
6662 18 O 40.3415 14.5905 33.4975 0.00106795 0.00125262 -0.00270165 23
6663 19 O 36.1715 17.0336 32.9054 0.00234011 0.00259238 -0.00298476 23
6664 20 O 40.0895 19.5091 33.3499 0.00188616 -0.00165008 0.000774953 23
6665 21 C 40.431 14.5808 32.1343 0.00546847 -0.00536179 -0.000875657 23
6666 22 C 39.6737 16.7457 27.7608 0.0029515 0.00595987 -0.00135235 23
6667 23 C 40.053 16.7458 26.6071 0.00399895 -0.00133221 0.000701255 23
6668 24 C 40.7605 16.7212 25.3512 0.0013656 -0.00246526 0.00187029 23
6669 25 C 40.3798 17.6752 24.3919 -0.00469661 0.00342189 -0.000685092 23
6670 26 C 41.1725 17.8506 23.243 -0.0017632 -0.00507894 0.00331409 23
6671 27 C 42.3807 17.0865 23.1471 -0.00230994 -0.00336976 -0.0035155 23
6672 28 C 42.7795 16.1925 24.1191 0.00156141 -0.000664854 0.00382841 23
6673 29 C 41.9632 15.9825 25.2477 0.0016163 0.00262267 -0.000856891 23
6674 30 C 43.1701 17.1763 21.9518 0.00104398 -0.000707362 4.33619e-05 23
6675 31 C 43.7098 17.1792 20.8738 -0.000569663 0.000132828 0.00687663 23
6676 32 C 42.5944 13.657 18.673 -0.00354665 0.00134483 -0.000291399 23
6677 33 C 42.8587 13.6143 17.3211 -0.00437092 -0.000538556 -0.00258018 23
6678 34 C 43.4742 14.666 16.6315 1.32501e-05 0.000551424 -0.000158635 23
6679 35 C 43.8354 15.8176 17.3649 -0.000660472 0.0066424 -0.00248967 23
6680 36 C 43.5825 15.881 18.7502 0.00284779 -0.00290776 -0.000111793 23
6681 37 C 42.9871 14.7769 19.4288 -0.00231398 0.000350513 0.00121246 23
6682 38 C 44.1094 17.1469 19.4607 0.0012434 -0.000740275 0.000827807 23
6683 39 C 47.965 17.2846 19.5621 -0.00084717 0.00158138 -0.000410847 23
6684 40 C 48.2351 17.3504 18.1554 -7.13359e-05 0.00140244 -0.000146201 23
6685 41 C 47.1469 17.3505 17.2294 -1.84048e-06 0.00265364 -0.00351859 23
6686 42 C 45.8265 17.22 17.731 -0.00475612 -0.00241384 0.00464234 23
6687 43 C 45.5831 17.1612 19.0925 0.00186904 0.000303345 -0.000874494 23
6688 44 C 46.6409 17.2896 20.0174 -0.001967 -0.00427605 -0.000805504 23
6689 45 C 42.338 20.4039 18.3063 0.00197411 -0.00216391 -1.87437e-05 23
6690 46 C 42.4606 20.1996 16.9106 0.00126649 -0.00261193 0.0044135 23
6691 47 C 43.1981 19.1574 16.3643 -0.00258246 -0.000400513 0.00233693 23
6692 48 C 43.7459 18.2417 17.2352 -0.00399284 -0.00146927 0.00187103 23
6693 49 C 44.599 17.0473 16.853 0.00293413 -0.00138587 -0.00418855 23
6694 50 C 43.5351 18.3266 18.6415 0.00279799 0.00180773 0.00228894 23
6695 51 C 42.8644 19.4206 19.1896 0.0008314 -0.00233681 -0.00115269 23
6696 52 O 47.3676 17.5311 15.9086 0.00027907 -0.00176413 -0.000712255 23
6697 53 O 43.8153 14.5163 15.282 -0.000379037 -0.00244783 -0.00467741 23
6698 54 O 43.454 19.0679 15.023 0.00214691 -0.00184967 -0.000894879 23
6699 55 C 39.0663 16.8541 31.9054 0.00280901 0.000878258 0.00369323 23
6700 56 C 39.8734 15.6066 31.3577 -0.000557106 0.00359261 0.000755286 23
6701 57 C 47.8487 16.4429 15.1469 0.00518181 -0.00420657 -0.0009534 23
6702 58 C 47.6023 16.7825 13.6771 0.00256085 -0.000170768 -0.00127355 23
6703 59 C 46.0782 16.9306 13.275 -0.0021949 -0.00219175 -0.00516555 23
6704 60 C 45.8193 16.9462 11.7401 0.00277698 0.00350079 0.00214937 23
6705 61 C 46.6126 15.9245 10.9414 3.20941e-06 -0.00305857 0.000938508 23
6706 62 C 46.0121 15.5124 9.63098 0.00150219 0.000200675 -0.00141214 23
6707 63 C 46.112 16.5287 8.4849 0.000106276 -0.000196825 0.00206913 23
6708 64 C 46.1139 15.8387 7.10328 -0.00148879 -0.000865669 0.0034402 23
6709 65 C 46.2996 16.8108 5.95696 0.000507455 0.00242932 0.000730632 23
6710 66 C 46.3754 16.0494 4.62606 -0.000751605 -0.000422216 0.000106281 23
6711 67 C 46.3914 16.9808 3.42291 -0.00200884 -0.000655464 0.00314964 23
6712 68 C 46.5258 16.2604 2.0728 0.00127958 -0.000841184 -0.00286938 23
6713 69 F 40.8153 18.7193 22.2733 -0.0014229 -0.000805636 0.00373996 23
6714 70 C 44.1884 13.2289 14.8604 -0.00204121 -9.26138e-05 0.000754508 23
6715 71 C 45.2057 13.2121 13.6853 0.000506445 -0.000785405 0.00158411 23
6716 72 C 44.6582 13.1663 12.2393 -0.00340117 0.00390314 -0.00217239 23
6717 73 C 45.6323 12.4012 11.3191 0.00182487 -0.0022298 -0.00366919 23
6718 74 C 44.9493 12.0038 9.98777 0.000951142 0.000290527 0.00129081 23
6719 75 C 45.9191 11.0644 9.17821 -0.000869121 -7.13857e-05 0.000768421 23
6720 76 C 46.7096 11.8328 8.09655 0.00340666 0.00183478 0.00261272 23
6721 77 C 45.8236 12.0717 6.82479 -0.00395737 0.000293729 0.00412061 23
6722 78 C 46.644 12.4047 5.58247 -0.00112025 -0.00325021 -0.00072341 23
6723 79 C 45.8317 12.4207 4.29247 -0.0011246 0.00145918 0.00289998 23
6724 80 C 46.6612 12.6468 3.02858 -0.00317669 -0.00123535 -0.00126536 23
6725 81 C 45.7599 12.5874 1.75064 0.00456465 0.00154238 0.00151364 23
6726 82 C 42.4285 19.0738 14.0145 0.00203809 0.0021116 0.00353189 23
6727 83 C 43.0329 18.6267 12.6786 0.00191843 -0.00137865 0.00185226 23
6728 84 C 42.2543 18.9856 11.3912 -0.000402378 0.00160682 -0.00575365 23
6729 85 C 43.0643 19.001 10.0915 0.00338496 -0.00113632 0.00517694 23
6730 86 C 42.2008 19.2467 8.83554 0.00178353 -0.00288915 0.00162373 23
6731 87 C 43.0435 19.6181 7.62767 -0.00265344 0.00132546 0.00100056 23
6732 88 C 42.1505 19.9656 6.42889 -0.00799836 -0.00566412 -0.00144755 23
6733 89 C 41.7025 18.6909 5.61486 0.00492699 -0.00574987 -0.00213668 23
6734 90 C 42.7139 18.3229 4.52969 -0.00308966 -0.00418514 0.0052541 23
6735 91 C 42.4631 19.1571 3.26212 -0.00265063 -0.00482285 -0.00177262 23
6736 92 C 43.3875 18.8836 2.07299 0.00162834 0.0046215 -0.00165238 23
6737 93 C 43.3269 17.431 1.66904 0.00130323 -0.00150468 -0.000219757 23
6738 94 C 34.8171 16.9627 33.3786 0.00110499 0.00244031 -0.00133514 23
6739 95 C 34.6948 17.1364 34.918 0.00472338 0.000764593 -0.00297094 23
6740 96 C 33.2374 16.9214 35.367 -0.00332729 -0.00123653 -0.000313962 23
6741 97 C 32.8243 17.4363 36.7685 0.00333208 7.54385e-05 -0.00329309 23
6742 98 C 33.7292 17.0442 37.9596 0.00319754 0.00253698 -0.00096493 23
6743 99 C 32.9246 17.451 39.2665 -0.000466459 -0.00677048 0.000991985 23
6744 100 C 33.6328 17.0396 40.5704 0.00131426 0.00185775 -0.00526825 23
6745 101 C 32.7681 17.2964 41.8294 -0.0021974 0.00027986 0.00317366 23
6746 102 C 33.4921 16.96 43.124 0.00173401 -0.00336124 0.00132259 23
6747 103 C 32.8528 17.4311 44.4574 -0.00182874 -0.0014659 -7.75911e-05 23
6748 104 C 33.5997 16.7959 45.637 0.00262569 -0.00170746 0.00326807 23
6749 105 C 32.8824 16.8904 46.9661 0.00592706 0.0032986 -0.00485003 23
6750 106 C 40.7691 20.6445 33.9845 0.0045297 -0.000104876 0.000734123 23
6751 107 C 40.6021 20.7308 35.5053 -0.00266023 -0.00355561 0.00149399 23
6752 108 C 41.3347 21.9489 36.0971 -0.00361262 -0.000740098 0.000903323 23
6753 109 C 41.0597 22.3228 37.5561 0.00680138 0.000910351 -0.00263371 23
6754 110 C 42.1945 22.001 38.5259 -0.000241013 -0.00105804 0.00117744 23
6755 111 C 42.0538 20.6412 39.1489 -0.000327339 -0.00243256 -0.00531705 23
6756 112 C 41.0242 20.5346 40.2788 0.000187925 0.0030312 -0.00021287 23
6757 113 C 41.5808 20.9478 41.656 -0.00107304 -0.00182074 0.00172567 23
6758 114 C 40.5562 20.6344 42.7324 0.00434835 -0.000730392 -0.00175906 23
6759 115 C 41.1219 20.6594 44.155 0.00193235 -0.00253175 0.00152903 23
6760 116 C 41.6971 21.9757 44.6717 -0.00079803 0.000714629 -0.000607788 23
6761 117 C 42.0307 21.7858 46.1873 0.000679206 -0.00573988 -0.00140202 23
6762 118 C 41.1424 13.6856 34.3006 0.0012788 0.00228051 -1.75217e-05 23
6763 119 C 40.7278 13.5185 35.8211 -0.000888471 0.00102472 0.00189411 23
6764 120 C 41.6295 12.4591 36.5074 0.00646182 0.00234625 -0.00270221 23
6765 121 C 42.1094 12.8384 37.9158 -0.00401949 0.000353892 4.80892e-06 23
6766 122 C 41.1295 12.3968 39.0736 0.00271957 0.000903118 -0.000335348 23
6767 123 C 41.7239 12.83 40.4309 0.00169506 0.00171202 -0.00184016 23
6768 124 C 40.7238 12.6657 41.5562 0.000109598 0.000507605 0.000396378 23
6769 125 C 41.4356 12.9601 42.9225 0.001991 0.00530255 0.00504942 23
6770 126 C 40.4535 12.8379 44.0976 -0.00155518 0.00527328 -0.00264748 23
6771 127 C 40.88 13.3774 45.4806 -0.00485653 0.00144951 0.00273023 23
6772 128 C 41.9805 12.538 46.1857 -0.00434335 0.000949533 -0.00277193 23
6773 129 C 41.3908 11.3789 46.9447 -0.001434 -0.000814603 -0.00452615 23
6774 130 F 39.2406 18.4089 24.5372 -0.00144162 0.0015159 0.00385582 23
6775 131 H 41.4332 21.1563 31.6921 0.00212097 0.00525242 -0.00107227 23
6776 132 H 41.6462 20.9587 29.2626 0.00188489 -0.00784024 -0.0053861 23
6777 133 H 40.7914 19.0135 28.0971 -0.00154549 0.00529681 0.000585972 23
6778 134 H 34.3176 16.8865 30.9591 0.000798037 0.00203068 0.00720542 23
6779 135 H 34.7418 16.8518 28.5121 0.00875198 0.00357399 -0.0105866 23
6780 136 H 37.0015 16.9294 27.68 0.0110307 0.00708773 0.00404463 23
6781 137 H 41.6206 12.7479 32.0215 0.0092277 0.00457814 0.00200414 23
6782 138 H 41.7083 12.6669 29.5145 -0.00398672 -0.0069577 0.00945627 23
6783 139 H 40.7761 14.4928 28.1877 0.011562 0.00833544 -0.00161087 23
6784 140 H 43.7002 15.6263 24.0139 -0.000943316 -0.00258469 -0.00771113 23
6785 141 H 42.3136 15.3919 26.089 0.00323087 -0.00443119 -0.0065004 23
6786 142 H 42.1526 12.7931 19.1607 0.00557043 -0.00514929 -0.00350986 23
6787 143 H 42.4835 12.7609 16.764 0.00197366 -0.0044514 -0.000832743 23
6788 144 H 42.7938 14.7076 20.4952 0.00317361 -0.0160308 0.00117928 23
6789 145 H 48.795 17.2859 20.2624 -0.00167623 0.0156121 0.000539736 23
6790 146 H 49.2708 17.4045 17.8332 0.00248852 -0.00212791 0.0074346 23
6791 147 H 46.4753 17.3335 21.0898 0.0107959 -0.0105772 0.00143617 23
6792 148 H 41.7184 21.2055 18.6974 0.00982055 0.00226493 0.00330019 23
6793 149 H 41.9745 20.917 16.256 0.0061641 -0.0142622 -0.0119705 23
6794 150 H 44.8435 16.9054 15.7931 0.00659841 0.0035974 -0.00399998 23
6795 151 H 42.6749 19.516 20.2547 -0.00130197 0.00711687 -0.00237238 23
6796 152 H 38.944 16.8768 32.9953 -0.00707588 -0.00808257 0.00276237 23
6797 153 H 48.9301 16.2959 15.2587 0.00369088 -0.0112451 0.00412943 23
6798 154 H 47.3565 15.4852 15.3566 0.00527403 -0.00453855 -0.00224763 23
6799 155 H 48.0505 15.9254 13.1596 0.00665864 -0.00165167 0.0047131 23
6800 156 H 48.1714 17.6719 13.3793 -0.00371951 -0.000661626 -0.014739 23
6801 157 H 45.6775 17.8581 13.7024 0.00135662 0.00271005 -0.0124765 23
6802 158 H 45.4228 16.1543 13.6888 -0.00124945 0.0032909 0.00658937 23
6803 159 H 46.064 17.9548 11.3848 -0.0117546 0.00683432 0.00161483 23
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6805 161 H 46.5701 14.9876 11.5104 0.0124426 -0.00116529 0.00493213 23
6806 162 H 47.6572 16.2433 10.8389 6.79709e-05 0.00180676 0.0166013 23
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6809 165 H 47.0761 17.0344 8.61992 0.00269402 -0.00749064 0.0109895 23
6810 166 H 45.3466 17.3132 8.53098 -0.00667303 -0.0065633 -0.00228694 23
6811 167 H 45.1709 15.3053 6.93113 0.00141654 -0.00196508 -0.00913699 23
6812 168 H 46.9294 15.1057 7.07026 0.00929715 0.0120078 -0.0160964 23
6813 169 H 47.2118 17.4032 6.09964 -0.00197759 0.00438171 0.0084765 23
6814 170 H 45.4291 17.4785 5.95054 0.00393616 0.00679803 -0.00883875 23
6815 171 H 45.5379 15.3466 4.53508 -0.0019137 -6.18114e-05 0.00802724 23
6816 172 H 47.2792 15.4287 4.66171 -0.00755575 -0.011469 -0.0204368 23
6817 173 H 47.239 17.6677 3.53763 -0.00781803 0.00705411 -0.000110052 23
6818 174 H 45.4934 17.6108 3.43012 -0.00512333 -0.00508337 0.00175968 23
6819 175 H 46.4421 16.9678 1.23853 -0.00130072 0.015502 0.011277 23
6820 176 H 47.5277 15.8312 1.94917 0.00371275 0.00441174 -0.00147651 23
6821 177 H 45.7199 15.532 1.92001 -0.00532628 0.00820383 -0.0112944 23
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6823 179 H 43.3646 12.5435 14.626 -0.00704517 0.00650481 -0.000867168 23
6824 180 H 45.7701 14.1458 13.8002 0.00273767 -0.00230909 0.00294513 23
6825 181 H 45.9016 12.3771 13.8329 0.00381549 0.000850598 -0.00475073 23
6826 182 H 43.7242 12.592 12.2753 -0.00699457 0.00993675 0.000701647 23
6827 183 H 44.4839 14.1946 11.8992 -0.00424865 0.00562762 0.00345676 23
6828 184 H 46.5412 12.9853 11.1288 0.00936367 -0.00993146 0.00879937 23
6829 185 H 45.8822 11.4572 11.8191 0.000638012 -0.000292522 0.000585513 23
6830 186 H 43.9878 11.4925 10.1205 0.00280753 -0.00537984 -0.00697186 23
6831 187 H 44.7318 12.9227 9.42951 -0.000496928 -0.00189222 -0.00173112 23
6832 188 H 46.5562 10.4883 9.86047 0.018227 0.013873 -0.00533936 23
6833 189 H 45.365 10.3155 8.59901 -0.00349205 0.00554754 -0.00401554 23
6834 190 H 47.1029 12.7946 8.44819 -0.00847493 0.00487246 0.00760671 23
6835 191 H 47.569 11.235 7.76856 0.00780201 0.00723818 0.00428642 23
6836 192 H 45.3016 11.1372 6.58489 0.00353092 -0.000752714 -0.00814449 23
6837 193 H 45.0743 12.8498 7.01563 0.00161059 0.00287626 0.0154542 23
6838 194 H 47.186 13.3463 5.73393 -0.00184435 -0.0030827 0.000828319 23
6839 195 H 47.4122 11.625 5.5094 -0.00942723 -0.0121382 0.0066508 23
6840 196 H 45.2364 11.5078 4.16729 0.00777235 -0.00441566 0.00355657 23
6841 197 H 45.0839 13.22 4.36574 -0.00377755 -0.00180111 0.0113763 23
6842 198 H 47.1226 13.6377 3.12156 -0.00217715 -0.000958051 -0.00924423 23
6843 199 H 47.468 11.9127 2.91222 -0.00922612 -0.0100422 0.0125652 23
6844 200 H 46.2929 12.7144 0.800301 0.0047101 0.0135243 0.00320866 23
6845 201 H 45.3155 11.5885 1.66059 0.00955823 -0.000392891 -0.00180233 23
6846 202 H 45.0122 13.3899 1.76991 -0.00440299 -0.00677567 -0.00126917 23
6847 203 H 41.6188 18.3801 14.2725 -0.00374617 0.00694768 -0.00162472 23
6848 204 H 42.0503 20.1028 13.9779 0.00448106 0.00354836 0.0179316 23
6849 205 H 44.0171 19.0879 12.5298 -0.000558445 -0.000161094 -0.0109858 23
6850 206 H 43.1294 17.5341 12.6948 -0.001165 -0.00175385 -0.00450824 23
6851 207 H 41.4082 18.2958 11.2828 0.00229963 -0.00524881 0.0166713 23
6852 208 H 41.7755 19.9648 11.5152 0.00318128 0.00374708 -0.00888022 23
6853 209 H 43.8273 19.7832 10.1889 0.00503617 -0.00253895 0.00348558 23
6854 210 H 43.5786 18.041 9.96013 -0.00095346 -0.000770476 -0.0145501 23
6855 211 H 41.6761 18.3103 8.60914 0.00953912 -0.00543844 -0.00581349 23
6856 212 H 41.3907 19.9501 9.06441 0.00610647 0.00134703 0.00384644 23
6857 213 H 43.6366 20.5051 7.88271 9.77149e-05 0.00122714 -0.00505837 23
6858 214 H 43.7179 18.7951 7.36095 -0.00159311 0.0026011 -0.000253258 23
6859 215 H 41.2767 20.4929 6.83126 -0.00671448 -0.00164887 -0.00392832 23
6860 216 H 42.6471 20.6568 5.7368 -0.00131389 0.00647354 0.0155195 23
6861 217 H 41.5867 17.8945 6.36033 -0.00635338 -0.0118736 -0.0104584 23
6862 218 H 40.6994 18.8236 5.19116 0.00243176 -0.00755644 0.00318675 23
6863 219 H 43.7321 18.4712 4.91009 -0.00175272 0.0106387 -0.00417853 23
6864 220 H 42.715 17.2459 4.32129 -0.0104836 0.000406126 -0.0184216 23
6865 221 H 41.4378 19.0158 2.89865 -0.00359511 0.00641863 -0.00348779 23
6866 222 H 42.6231 20.2185 3.48834 0.00354888 -0.00488579 -0.00580107 23
6867 223 H 43.0139 19.487 1.23647 0.00322621 -0.00114142 -0.00652396 23
6868 224 H 44.437 19.1174 2.2904 0.00519476 -0.0107081 -0.00223136 23
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6870 226 H 42.3085 17.1361 1.38726 -0.00194589 -0.00354088 0.0136797 23
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6878 234 H 32.7328 18.5289 36.7337 0.00101322 2.48199e-05 0.00131232 23
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6889 245 H 34.4615 17.4708 43.0706 0.0063317 -0.0119795 0.00245029 23
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6894 250 H 31.8375 16.5627 46.9015 0.00817491 -0.00301905 -0.00896294 23
6895 251 H 33.3952 16.3021 47.737 0.00732642 0.00808706 -0.00212644 23
6896 252 H 32.8266 17.9396 47.2817 -0.00323069 0.00446541 -0.0102984 23
6897 253 H 41.846 20.6263 33.7764 0.00680808 0.0244541 0.0101861 23
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6899 255 H 39.5275 20.7801 35.7201 -0.00304028 -0.00981196 0.00103701 23
6900 256 H 40.9981 19.8246 35.9802 0.00526638 0.00437046 0.0100001 23
6901 257 H 42.4213 21.9221 35.9482 -0.00215613 -0.00153402 0.0116404 23
6902 258 H 41.0069 22.776 35.4554 -0.00916326 -0.00059339 0.00392607 23
6903 259 H 40.8878 23.4038 37.6295 0.00509045 0.00110951 -0.00965543 23
6904 260 H 40.106 21.8709 37.8555 0.0116853 -0.00219183 0.0081891 23
6905 261 H 43.1662 22.1476 38.0384 0.000554531 -0.0177596 -0.00221936 23
6906 262 H 42.1452 22.712 39.3598 0.00173061 0.0068426 -0.00544722 23
6907 263 H 41.7462 19.9961 38.3166 0.00487057 -0.0117038 -4.00211e-05 23
6908 264 H 43.0266 20.2458 39.4662 0.00531588 0.0084448 -0.0090969 23
6909 265 H 40.1357 21.1246 40.0223 0.00516016 0.00843741 -0.00502608 23
6910 266 H 40.739 19.4754 40.2922 0.000147918 0.0029029 -0.0103751 23
6911 267 H 42.5189 20.3949 41.7895 0.00719477 0.0112194 -0.00216757 23
6912 268 H 41.8607 22.0084 41.6503 0.00308719 -0.00293492 -0.0026215 23
6913 269 H 39.7635 21.3806 42.5971 -0.00201966 -0.00913957 -0.0108796 23
6914 270 H 40.0811 19.6551 42.5956 -0.00940353 0.00435739 0.00931829 23
6915 271 H 40.3717 20.3107 44.8754 0.00672476 -0.00192623 0.00682694 23
6916 272 H 41.8861 19.8727 44.1769 0.00186186 -0.00250253 0.00494015 23
6917 273 H 42.5972 22.206 44.0884 0.0026732 0.00698419 0.00724111 23
6918 274 H 40.9719 22.786 44.5273 -0.00888122 -0.00661431 -0.00112967 23
6919 275 H 42.6273 22.6297 46.5551 -0.00143084 -0.00359912 -0.00288973 23
6920 276 H 41.1199 21.7025 46.793 0.0013787 0.0146216 0.00244923 23
6921 277 H 42.6277 20.8769 46.3318 -0.00166819 -0.00527559 0.0111719 23
6922 278 H 41.0548 12.6574 33.9283 0.00687379 0.00390954 -0.00579665 23
6923 279 H 42.2052 13.9258 34.1732 0.000556807 -0.00062531 -0.0116731 23
6924 280 H 39.6795 13.1991 35.8701 -0.00214614 0.00571705 0.00550763 23
6925 281 H 40.806 14.4712 36.3593 0.0267699 -0.00193262 0.00310192 23
6926 282 H 42.5041 12.3496 35.8544 0.0103242 -0.0158593 0.00554771 23
6927 283 H 41.1835 11.4576 36.4692 -0.0143769 0.0119139 -0.00999586 23
6928 284 H 42.2454 13.9256 37.97 0.00337111 -0.00105893 0.00987203 23
6929 285 H 43.0968 12.3977 38.1007 -0.00671774 -0.00622914 -0.00127426 23
6930 286 H 40.9305 11.3189 39.1177 -0.00447661 0.0019738 -0.0066833 23
6931 287 H 40.1689 12.8886 38.8766 -0.0013793 -0.00690287 0.000195734 23
6932 288 H 41.9808 13.8963 40.4154 -0.0126062 0.00538995 0.011737 23
6933 289 H 42.6084 12.1968 40.5735 0.00123126 0.000813506 -0.00292414 23
6934 290 H 40.3085 11.652 41.6143 -0.00711817 0.00269438 -0.0136559 23
6935 291 H 39.8787 13.3531 41.4271 -0.00265555 -0.00150139 0.00773174 23
6936 292 H 41.8262 13.9846 42.8866 0.00618206 0.00363676 0.0032235 23
6937 293 H 42.272 12.2648 43.0653 -0.00273932 9.33993e-05 0.0074186 23
6938 294 H 40.2054 11.7776 44.2303 -0.00402689 0.00683314 0.00523083 23
6939 295 H 39.5284 13.3436 43.7944 0.00203495 0.013521 0.000174156 23
6940 296 H 40.0285 13.523 46.1567 -0.0047551 -0.000536554 0.00328049 23
6941 297 H 41.224 14.4115 45.3555 0.00780478 -0.00268244 0.00351712 23
6942 298 H 42.514 13.1785 46.8988 0.00387767 -0.00917803 0.000167941 23
6943 299 H 42.7164 12.191 45.4499 0.0085978 -0.00494725 0.0129586 23
6944 300 H 40.831 10.7518 46.2399 0.0011587 -0.00849188 0.000253611 23
6945 301 H 40.7192 11.6912 47.7539 0.0108871 0.00482328 0.00353805 23
6946 302 H 42.1798 10.7835 47.4205 0.00541474 0.0151451 0.00407749 23
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6948 2 C 45.0364 26.9781 29.7704 0.00245938 0.00057851 -0.00141538 24
6949 3 C 44.4727 25.8732 29.1115 0.00132311 -0.000408722 -0.000946288 24
6950 4 C 43.8292 24.8684 29.8614 -0.000462003 9.34056e-05 -0.0018439 24
6951 5 C 43.6221 25.0281 31.2777 -0.00492656 0.00216284 0.000811055 24
6952 6 C 44.1386 26.1905 31.9102 0.00413946 0.00495234 -0.00169323 24
6953 7 C 39.206 23.7422 30.5551 -0.000624313 -0.00769105 0.000178169 24
6954 8 C 39.4513 23.5565 29.1852 -0.00115593 0.00161945 0.000151554 24
6955 9 C 40.776 23.5406 28.6725 -0.00070817 -0.000548896 -0.00292233 24
6956 10 C 41.845 23.643 29.592 -0.00692327 -0.00281678 -0.00250607 24
6957 11 C 41.5718 23.7256 31.024 -0.00241409 0.00429055 0.00696149 24
6958 12 C 40.2605 23.7581 31.4904 -0.000124441 0.00294274 0.00196783 24
6959 13 C 44.8437 20.4793 31.8592 0.00109295 -0.00250913 -0.00162354 24
6960 14 C 44.9452 20.2972 30.4722 -0.000828615 0.000679001 0.0015364 24
6961 15 C 44.528 21.3125 29.5918 -0.00142337 -0.00131643 -0.00152729 24
6962 16 C 43.9044 22.4562 30.144 -0.00566124 -0.00153623 0.000543291 24
6963 17 C 43.3354 23.5725 29.2149 -0.000628416 0.0020945 -0.00152858 24
6964 18 O 43.951 21.665 33.7814 -0.000112245 0.00232943 0.00502336 24
6965 19 O 40.0496 23.8163 32.8601 0.000603993 0.00254424 0.00126398 24
6966 20 O 43.9286 26.4117 33.286 -0.00192661 -0.000591628 0.0011244 24
6967 21 C 44.1194 21.546 32.4236 -0.00101979 -0.00216812 -0.00542022 24
6968 22 C 43.7055 23.4496 27.7707 -0.002199 0.00022031 -0.00093504 24
6969 23 C 44.2376 23.397 26.6944 0.00385947 -0.00440573 0.000561348 24
6970 24 C 45.0064 23.4783 25.4571 -3.698e-05 0.00183581 0.00776762 24
6971 25 C 46.1924 22.7217 25.2922 0.00103512 -0.00277809 -0.00425424 24
6972 26 C 46.9643 22.8478 24.1357 -0.000782893 -0.00256292 3.55339e-05 24
6973 27 C 46.6225 23.8141 23.1656 -0.00232655 0.0073778 0.000449081 24
6974 28 C 45.4524 24.574 23.3469 -0.000404755 0.00315568 0.00172901 24
6975 29 C 44.615 24.3685 24.474 -0.00120597 0.00183274 0.00328923 24
6976 30 C 47.3807 23.9001 21.9614 0.00672713 0.00331929 0.00133506 24
6977 31 C 47.8319 24.0056 20.8314 0.00148312 0.000693923 -0.000161017 24
6978 32 C 46.0548 20.7863 18.652 -0.00344333 -0.000307018 -0.00358837 24
6979 33 C 46.1771 20.7373 17.249 0.000694244 0.00179515 -0.000573364 24
6980 34 C 46.9072 21.7293 16.5525 0.000961594 -0.000923405 0.00305764 24
6981 35 C 47.4518 22.7805 17.2828 -0.000649568 0.000688992 -0.000105807 24
6982 36 C 47.3391 22.8165 18.682 0.000112289 -0.00055262 -0.00126212 24
6983 37 C 46.6061 21.8456 19.3716 -0.00153493 0.00274411 1.63983e-05 24
6984 38 C 48.0643 23.9779 19.3659 -0.000180648 -0.00363711 -0.00275049 24
6985 39 C 51.9074 23.8817 18.8165 -0.0019272 0.0019044 0.00300049 24
6986 40 C 51.8886 23.8459 17.4167 0.000329417 -0.00204615 -0.00207836 24
6987 41 C 50.7502 23.7837 16.6665 -0.00170202 0.000649879 6.29913e-06 24
6988 42 C 49.5651 23.8076 17.3676 0.00242888 0.00111084 0.000272508 24
6989 43 C 49.5072 23.8886 18.7947 -0.00247575 0.00208457 0.00391609 24
6990 44 C 50.7037 23.9158 19.5089 -0.00222839 0.00197978 0.000244152 24
6991 45 C 46.3441 27.3611 18.5676 0.00467608 0.000928032 0.00093827 24
6992 46 C 46.4795 27.3332 17.1569 0.00220541 0.000339324 0.00138289 24
6993 47 C 47.0445 26.2336 16.4865 -0.00144009 -0.000300661 -0.00495864 24
6994 48 C 47.5562 25.1962 17.2655 -0.00529447 0.00332578 -0.00197461 24
6995 49 C 48.1817 23.9318 16.6905 0.000678048 0.00218881 -0.00339713 24
6996 50 C 47.4334 25.1945 18.6794 0.000955549 -0.000553644 0.00153889 24
6997 51 C 46.828 26.2722 19.3155 -0.00120634 -0.00286452 0.00372902 24
6998 52 O 50.6921 23.5925 15.2883 -0.00126062 0.000553538 -0.00163008 24
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7000 54 O 47.2908 26.3114 15.1339 -0.00210743 0.00271563 0.00155302 24
7001 55 C 42.8391 23.8283 31.9024 -0.000621181 -0.0015651 0.00160486 24
7002 56 C 43.67 22.5749 31.533 -0.00310046 0.00402806 0.000151451 24
7003 57 C 51.5528 22.6516 14.6663 -0.00066262 0.000665909 -0.000379562 24
7004 58 C 50.739 22.027 13.5308 0.000646241 -0.00156452 0.00212354 24
7005 59 C 50.1279 23.0118 12.4772 0.000607166 0.00300326 0.0029085 24
7006 60 C 50.5863 22.6239 11.0727 -2.62985e-05 -0.00444391 -0.00340967 24
7007 61 C 49.9263 23.3868 9.90074 -0.000476481 0.00434884 -0.0013769 24
7008 62 C 50.5574 22.9514 8.56204 0.00137633 0.000326829 0.00290283 24
7009 63 C 49.8395 23.4587 7.31308 -0.000451562 -0.000931615 -0.00189441 24
7010 64 C 50.4112 22.8658 6.00999 -0.002816 -0.00125888 -0.00200987 24
7011 65 C 49.696 23.3865 4.75302 -0.00162457 -0.000596652 -0.000548889 24
7012 66 C 50.2653 22.7626 3.46943 -0.00102843 0.00356012 -0.00503754 24
7013 67 C 49.7927 23.4552 2.14515 -0.00206558 0.00181394 0.00018676 24
7014 68 C 50.4772 22.8945 0.885226 -0.0016953 0.00152544 0.00563165 24
7015 69 F 48.1319 22.1814 24.0667 -0.00149766 0.000469443 -0.00187411 24
7016 70 C 46.5605 20.592 14.3943 0.00353681 0.00049767 -0.000921195 24
7017 71 C 47.135 20.5739 12.9537 0.00301189 0.0023059 0.000425434 24
7018 72 C 46.3005 21.2579 11.8803 -0.0022173 -0.00328369 -0.00127626 24
7019 73 C 46.9469 20.9495 10.5129 -0.00238614 0.00169769 -0.00367451 24
7020 74 C 46.2347 21.5922 9.29837 -0.000707095 -3.69395e-05 -0.00340086 24
7021 75 C 46.7978 20.9793 7.98472 -8.44502e-05 0.000533201 -0.00146464 24
7022 76 C 46.2279 21.486 6.65982 -0.00070036 0.00228163 0.00226749 24
7023 77 C 46.7677 20.5666 5.51651 -0.00130433 -0.000650404 0.000803784 24
7024 78 C 46.0513 20.7012 4.12446 -0.00170863 -0.000282826 0.00188359 24
7025 79 C 46.3249 22.0127 3.35729 -0.00298399 0.00163496 0.00506357 24
7026 80 C 45.8564 22.0166 1.88547 0.00195959 0.000687669 0.00155282 24
7027 81 C 46.6509 21.0607 1.01203 -0.00335032 -0.000506493 0.00016096 24
7028 82 C 48.4467 27.0458 14.696 0.00445256 -0.00140498 0.00225624 24
7029 83 C 48.5593 26.9134 13.1899 -0.000944214 0.00192288 0.00120889 24
7030 84 C 49.427 27.976 12.4773 -0.00154183 -0.00301465 -0.00308452 24
7031 85 C 49.3795 27.7554 10.9496 0.00183061 0.000951794 -0.00318558 24
7032 86 C 50.3348 28.6153 10.1061 -0.000561135 0.000494047 -0.000138486 24
7033 87 C 50.0017 28.6937 8.58233 -0.000202755 0.00121562 0.00159703 24
7034 88 C 49.8091 27.2986 8.02655 -0.00165941 -0.00218751 -3.87644e-05 24
7035 89 C 49.5164 27.3303 6.48109 -0.00547922 0.00148881 -0.00113881 24
7036 90 C 50.7387 27.8352 5.72004 0.000354233 -0.00224604 -7.54724e-05 24
7037 91 C 50.7542 27.4536 4.22328 0.00322362 -0.00231156 0.00222433 24
7038 92 C 49.7942 28.2479 3.3388 -0.00238329 0.00237873 -0.00232452 24
7039 93 C 49.9685 27.8504 1.85673 -0.000918153 -0.00281419 0.000935349 24
7040 94 C 38.6835 23.9451 33.3942 -0.00147844 -0.000257839 0.00263721 24
7041 95 C 38.6112 23.7704 34.9322 0.000942908 -0.000772739 0.00217668 24
7042 96 C 37.195 24.2634 35.3752 -0.00257214 -0.0017526 -0.00248001 24
7043 97 C 36.6307 23.9653 36.7775 0.00339049 0.000538779 -0.000462655 24
7044 98 C 37.6523 24.0191 37.9105 0.000633761 0.000383111 -0.00132554 24
7045 99 C 37.0233 23.5789 39.2302 0.00127947 -0.00283105 -0.00397562 24
7046 100 C 37.8326 23.7909 40.5048 -0.000509262 0.00156709 0.00281422 24
7047 101 C 37.028 23.5383 41.8073 0.00183553 0.00352075 0.000853995 24
7048 102 C 37.7657 23.7771 43.1302 -0.00278461 -0.000774233 -0.00394194 24
7049 103 C 36.8904 23.3647 44.3886 -0.000542334 0.00114713 -0.00146387 24
7050 104 C 37.3226 24.0738 45.6705 -0.00318519 -0.000978656 -0.00317959 24
7051 105 C 38.7116 23.8218 46.2692 -0.00164961 -0.00437784 0.00106603 24
7052 106 C 44.1631 27.6781 33.9624 -0.000665086 -0.00208459 0.000992835 24
7053 107 C 44.7589 27.3248 35.3342 -0.00137564 -0.00465942 0.000145939 24
7054 108 C 44.7388 28.48 36.3598 -0.00163111 -0.000839383 -0.0024576 24
7055 109 C 45.7 28.2268 37.5198 -0.00375343 0.00641023 -0.00319188 24
7056 110 C 45.6191 29.2339 38.6848 0.00140276 -0.000747471 -0.00033077 24
7057 111 C 44.5753 28.9166 39.7627 0.00160045 -0.00332649 -0.00127502 24
7058 112 C 45.0734 28.0075 40.9333 8.85968e-05 -0.0048818 0.00305485 24
7059 113 C 45.8855 28.8069 41.948 0.00183904 -0.00203543 -0.000349825 24
7060 114 C 45.1841 29.1756 43.2961 -0.00050889 0.00243236 -0.00405849 24
7061 115 C 45.2007 28.0374 44.3368 -0.00180844 -0.00631203 0.00198061 24
7062 116 C 44.5886 28.5055 45.6997 -0.000254266 -0.00589082 -0.000157761 24
7063 117 C 45.0937 27.59 46.8451 -0.00171432 0.00295651 -0.00161043 24
7064 118 C 44.7632 20.9986 34.791 -0.00525058 0.000129545 0.000303313 24
7065 119 C 44.3683 19.5651 35.1201 -0.00226877 -0.000894367 -0.000299856 24
7066 120 C 45.2794 18.8481 36.1243 -0.00345314 0.00200503 -0.000269062 24
7067 121 C 45.1233 19.347 37.6159 0.00176406 0.00349848 -0.00412652 24
7068 122 C 46.3665 19.1673 38.5222 0.00782962 0.000371607 -0.00180721 24
7069 123 C 46.1139 19.6104 39.9451 -0.00158964 -0.00733056 0.000423993 24
7070 124 C 45.3721 18.5993 40.7481 -0.000569241 -0.00201168 -0.00190934 24
7071 125 C 44.8923 19.1458 42.0848 -0.00373269 -0.000503871 0.00101171 24
7072 126 C 45.9206 19.2478 43.2438 -0.00126515 0.00280279 -0.00252464 24
7073 127 C 45.2408 19.6643 44.5762 -1.8555e-05 -0.00309349 0.000939223 24
7074 128 C 46.184 19.745 45.7789 0.000783977 -0.0019629 0.00178709 24
7075 129 C 45.3107 20.1358 47.0026 -0.000588295 5.34061e-06 0.00370419 24
7076 130 F 46.5654 21.856 26.2486 0.00318645 -0.000669674 0.00178816 24
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7078 132 H 45.556 27.7667 29.2342 -0.00558704 0.00712764 0.000398826 24
7079 133 H 44.5683 25.8351 28.0304 -0.00134699 0.0186626 -0.00187192 24
7080 134 H 38.158 23.7806 30.8374 -0.000339545 -0.00688763 0.0011175 24
7081 135 H 38.6125 23.4092 28.5113 0.00826849 -0.0172271 -0.00749709 24
7082 136 H 40.9962 23.535 27.6091 0.00576853 0.0134201 -0.00169171 24
7083 137 H 45.2398 19.7191 32.5259 -0.00611008 0.0105628 0.0176471 24
7084 138 H 45.4962 19.4657 30.0428 0.00947655 0.0108631 -0.00503878 24
7085 139 H 44.6591 21.1711 28.523 0.00410443 -0.00387381 -0.000510107 24
7086 140 H 45.1295 25.2716 22.5798 0.00277436 0.00410996 0.00126306 24
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7089 143 H 45.7169 19.8924 16.7453 -0.00809581 -0.00540105 0.0194747 24
7090 144 H 46.501 21.8724 20.4522 0.00943438 0.00306597 0.00108201 24
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7092 146 H 52.8506 23.8122 16.9139 0.00382442 -0.0111163 0.00519896 24
7093 147 H 50.7283 23.978 20.5928 -0.00284793 -0.0226951 0.00166922 24
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7095 149 H 46.1882 28.2019 16.5737 -0.00228754 0.00172725 0.00570065 24
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7250 2 C 2.0681 33.6576 29.6258 0.00350898 -0.000448574 -0.00113468 25
7251 3 C 1.46686 32.6598 28.8834 0.00232483 -0.0026283 -0.00132094 25
7252 4 C 0.711258 31.7134 29.5737 -0.000267975 0.00189495 -0.00132545 25
7253 5 C 0.520063 31.7815 30.9901 0.00595742 0.00598775 0.00514547 25
7254 6 C 1.09371 32.8638 31.7141 0.0048264 -0.00485816 -0.00219502 25
7255 7 C -3.9801 30.5374 30.3292 -0.00481971 -0.00419124 -0.000157474 25
7256 8 C -3.73888 30.4165 28.954 0.00113608 -0.00508824 -0.00079868 25
7257 9 C -2.40795 30.3482 28.4629 0.00324044 -0.0019737 -0.00325352 25
7258 10 C -1.34384 30.4791 29.3566 0.00177914 0.000315358 0.00130023 25
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7260 12 C -2.90454 30.5914 31.2536 0.00814179 0.00207685 -0.000506841 25
7261 13 C 1.82157 27.2534 31.3625 -0.00277601 -0.00411111 -0.00128419 25
7262 14 C 2.20657 27.3214 30.0188 0.00489441 0.000373499 0.00105558 25
7263 15 C 1.64231 28.2825 29.1637 0.00089279 0.00126422 0.00315717 25
7264 16 C 0.773059 29.2925 29.6965 0.000995071 6.57846e-05 -0.00133909 25
7265 17 C 0.136477 30.4747 28.9185 -0.00338082 -0.000887918 0.00259387 25
7266 18 O 0.583361 28.193 33.2468 -0.00286221 -0.000562866 0.00103017 25
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7268 20 O 0.900114 33.0399 33.0942 0.00248764 0.000928015 -0.00406861 25
7269 21 C 0.996079 28.2606 31.9267 0.000707302 0.00296822 0.00252914 25
7270 22 C 0.4155 30.4398 27.4741 -0.00229596 0.000229632 0.00286118 25
7271 23 C 0.934386 30.4445 26.3814 -0.00418253 -0.00144451 0.00248396 25
7272 24 C 1.74056 30.5746 25.2075 0.000219728 -0.00142732 0.00341114 25
7273 25 C 1.83838 31.8086 24.5302 -0.00218074 0.00205535 -0.0024147 25
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7275 27 C 3.67444 30.9825 23.2268 -0.00249159 -0.00173871 -0.000120627 25
7276 28 C 3.59113 29.7425 23.9084 -0.00133513 -0.000706822 0.0010579 25
7277 29 C 2.63704 29.5398 24.9168 0.00285807 -0.000633448 -0.00147927 25
7278 30 C 4.40122 30.9701 21.9666 0.00321012 0.00260946 -0.00137846 25
7279 31 C 4.82118 30.9098 20.8292 -0.000629215 -0.000726447 -0.00056033 25
7280 32 C 3.21239 27.4316 18.8634 0.00126599 0.00240369 0.0060931 25
7281 33 C 3.38118 27.3116 17.4969 -0.00383131 -0.0014592 -0.000818714 25
7282 34 C 3.9766 28.3384 16.7283 0.00306158 0.005561 -0.00412866 25
7283 35 C 4.42601 29.4772 17.4005 -0.000206704 0.0020825 -0.00163911 25
7284 36 C 4.35369 29.5558 18.7902 0.00249209 0.00239657 -0.00104982 25
7285 37 C 3.70952 28.5457 19.5071 -0.00140162 -0.0015963 -0.0013394 25
7286 38 C 5.0059 30.8066 19.3988 -0.00398575 0.00268806 0.0029847 25
7287 39 C 8.85695 30.8228 18.9179 -0.00405078 0.00276379 0.000940655 25
7288 40 C 8.846 30.9716 17.5248 -0.00143267 -0.000594296 -0.000596488 25
7289 41 C 7.65956 30.9595 16.7852 0.0014025 0.000205246 -0.00120416 25
7290 42 C 6.45495 30.832 17.4636 0.00504917 -0.00266711 0.0015906 25
7291 43 C 6.45246 30.8831 18.8756 0.00112301 -0.00282286 -0.00228436 25
7292 44 C 7.65167 30.8193 19.6293 0.00213413 -0.0018721 -0.000809876 25
7293 45 C 3.05629 33.9959 18.5302 -0.000321707 0.00122062 0.0038057 25
7294 46 C 3.26887 34.045 17.1402 0.000101608 0.00444477 -0.00618766 25
7295 47 C 3.84759 32.9693 16.4891 -0.000646311 -0.000144596 0.000348315 25
7296 48 C 4.37198 31.9288 17.2708 -0.000327207 0.000137726 -0.00509922 25
7297 49 C 5.09827 30.7035 16.7542 -0.00137628 0.000318707 0.00255378 25
7298 50 C 4.32102 31.9573 18.7041 -0.00200817 -0.00387383 -0.00179075 25
7299 51 C 3.65586 33.022 19.3307 0.0008649 -0.00160509 0.000824559 25
7300 52 O 7.67178 31.1818 15.4066 0.000687601 0.00133767 -0.000528102 25
7301 53 O 4.27866 28.1287 15.3729 -0.00292878 -0.00562041 0.00163647 25
7302 54 O 3.99328 32.963 15.1038 0.00201042 0.000498108 -0.00190239 25
7303 55 C -0.308348 30.5767 31.5744 0.00290655 0.000917957 -0.00356485 25
7304 56 C 0.509739 29.3056 31.1008 -0.00141966 -0.00114819 0.00229074 25
7305 57 C 7.97831 30.0506 14.5679 0.000706294 -0.000277611 -0.0013564 25
7306 58 C 6.99385 29.8886 13.4433 -0.00403841 -0.000293477 -0.00264138 25
7307 59 C 7.00189 31.0617 12.4058 -0.00106184 0.00114597 -0.00412782 25
7308 60 C 6.544 30.6872 10.9969 -0.00149274 -0.00242651 0.00134202 25
7309 61 C 7.26113 29.524 10.3065 -0.00605586 -0.00202872 -0.000653992 25
7310 62 C 6.8367 29.3184 8.80411 0.00190378 0.000557937 0.00058621 25
7311 63 C 7.00673 30.5268 7.84409 -0.00351213 -0.00124485 -0.00299006 25
7312 64 C 6.46844 30.2762 6.42504 -0.000217554 -0.00114866 -7.08071e-06 25
7313 65 C 7.50583 29.5314 5.53939 0.0008199 -0.0015441 -0.00229404 25
7314 66 C 7.6299 30.0698 4.10742 -0.000165828 -0.000720887 -0.00233591 25
7315 67 C 6.63058 29.5417 3.10351 -0.00486433 0.00228704 0.00294056 25
7316 68 C 6.85341 30.1016 1.6748 -0.00114894 0.00135337 0.00224026 25
7317 69 F 2.81333 33.1709 22.7909 -0.000680714 -0.00156295 0.00195591 25
7318 70 C 5.35582 27.2311 15.1772 -0.00315382 0.00301603 0.00421406 25
7319 71 C 5.02013 26.0715 14.2524 0.00270173 -0.00538371 0.000940224 25
7320 72 C 5.52797 26.2135 12.7786 -0.00191496 0.00261516 -0.0023196 25
7321 73 C 6.32644 24.9542 12.3574 0.0014684 -0.00119517 0.00411301 25
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7553 3 C 5.36729 39.4378 28.8383 0.00375363 0.000826869 -0.00227638 26
7554 4 C 4.76217 38.3825 29.5005 0.00148366 -0.000901693 0.00175357 26
7555 5 C 4.55564 38.4358 30.881 0.00130264 -0.00455989 -0.00765862 26
7556 6 C 5.07235 39.5131 31.616 4.28949e-05 -0.00432687 0.000953668 26
7557 7 C 0.234672 36.9254 30.0227 0.00234743 -0.00256309 -0.00252872 26
7558 8 C 0.488848 36.8115 28.6334 0.000239192 -0.000877515 -0.00342121 26
7559 9 C 1.8106 36.914 28.1901 0.00433753 0.00653334 -0.00232356 26
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7563 13 C 5.93152 33.8074 31.1691 -0.00291302 -0.0026521 -0.00594187 26
7564 14 C 6.04025 33.7298 29.7675 0.00462136 0.00418764 -0.00257025 26
7565 15 C 5.58076 34.7664 28.9801 0.00233951 0.00511252 -0.00553653 26
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7567 17 C 4.33401 37.0536 28.8113 -0.001261 0.00291187 0.00135547 26
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7570 20 O 4.90907 39.6247 32.9873 0.00157564 -0.00133937 0.000467529 26
7571 21 C 5.23173 34.8708 31.7979 0.00151163 0.00564381 0.00301908 26
7572 22 C 4.67317 37.0497 27.3799 -0.00327978 -0.000938899 0.000837908 26
7573 23 C 5.1607 37.0301 26.2541 -0.000332428 0.000323283 -0.000511845 26
7574 24 C 5.86809 37.1086 25.0436 -0.000473744 -0.00450319 0.00225039 26
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7579 29 C 5.46676 37.9942 24.0389 -0.00244417 -0.000462503 0.00412636 26
7580 30 C 8.21357 37.4882 21.6311 -0.00140664 -0.00145134 0.0017033 26
7581 31 C 8.64628 37.4977 20.4927 -0.00364838 0.00497559 0.00409677 26
7582 32 C 6.94448 34.2808 18.1889 -0.00022533 -0.00178775 -0.00311332 26
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7586 36 C 8.23395 36.3335 18.3623 -0.00634712 0.00439915 0.00324794 26
7587 37 C 7.42014 35.3273 18.9799 0.00283197 0.000989309 -0.00197511 26
7588 38 C 8.94142 37.5043 19.0651 -0.00341394 -0.00236872 -0.00178841 26
7589 39 C 12.8288 37.4888 19.01 0.00521187 -0.00130963 0.00086635 26
7590 40 C 13.0391 37.4707 17.6205 -1.69031e-06 -0.00407349 -0.00307745 26
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7592 42 C 10.6606 37.324 17.2615 -0.000672723 0.00288694 -0.00191523 26
7593 43 C 10.4388 37.3599 18.6747 -0.00137682 -0.000565503 -0.00186662 26
7594 44 C 11.528 37.4267 19.5386 0.00034724 -0.00321749 -0.000607921 26
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7600 50 C 8.48911 38.7962 18.3225 -0.000500248 0.00140484 0.000372151 26
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7606 56 C 4.70819 35.922 30.9877 0.00050335 -0.00223858 -0.00199795 26
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7609 59 C 11.8632 36.124 12.156 0.00474385 0.00108961 0.000514604 26
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7634 84 C 10.2364 39.7199 11.2532 -0.00356111 -0.00250379 -0.00140157 26
7635 85 C 10.3766 40.8832 10.2519 -0.00192544 -0.000606619 -0.0047296 26
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7649 99 C -1.79948 38.2242 38.8879 -0.0026732 0.00314677 0.00183375 26
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7651 101 C -2.39606 36.8386 40.9874 0.00314777 -0.004838 0.00456279 26
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7655 105 C -2.34607 37.4631 46.0245 -0.00301756 -0.0035857 0.00107124 26
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7659 109 C 6.05956 41.6082 36.7067 -0.00453607 -0.00439098 -0.00113138 26
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7937 85 C 11.0783 32.4012 10.5511 1.75502e-05 0.00563521 0.00130043 27
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7951 99 C 1.93644 30.4939 39.3092 0.00213563 0.00260065 0.00225977 27
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7961 109 C 10.1569 35.6186 37.5101 0.000509792 -0.00381197 5.58238e-05 27
7962 110 C 10.3285 34.4437 38.4899 0.00135581 -0.0020328 -0.000545621 27
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7965 113 C 9.82055 35.9773 42.1122 -0.000242563 0.00153253 -0.000768364 27
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7971 119 C 9.09114 27.1329 36.0919 -0.000112459 0.00402645 0.00527772 27
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7974 122 C 8.91279 26.6938 39.3621 -0.000621399 -0.00407649 0.000621185 27
7975 123 C 10.127 26.4383 40.2761 -0.00127081 -0.00200203 -0.00271716 27
7976 124 C 9.86906 25.6358 41.5648 0.000329451 0.00144172 0.000371501 27
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7978 126 C 9.86713 25.5865 44.1786 -0.00433773 0.00312302 0.00484314 27
7979 127 C 10.2936 26.3916 45.3701 -0.000629115 2.2872e-05 -0.000928477 27
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7981 129 C 10.4296 24.4265 47.0602 -0.00204776 -0.0022106 -0.00467315 27
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8156 2 C 13.7134 40.7401 30.1383 0.00024103 -0.00256851 -0.00364281 28
8157 3 C 13.2239 39.6533 29.3688 0.000463453 0.00190278 0.000395344 28
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8159 5 C 12.4295 38.5111 31.393 -0.00125839 0.00110246 0.00182017 28
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8182 28 C 14.9966 36.334 23.9773 0.000268695 -0.00162411 -0.00235171 28
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8195 41 C 19.6784 37.5556 17.0726 0.0044526 7.6449e-05 0.00139354 28
8196 42 C 18.4155 37.6229 17.6786 0.0045817 -0.00128381 -0.00100499 28
8197 43 C 18.2551 37.5623 19.0778 0.00044772 0.000804096 0.00374372 28
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8202 48 C 16.3929 38.876 17.4548 0.00116064 0.00137437 0.000831657 28
8203 49 C 17.081 37.6408 16.8954 3.88993e-05 -0.00534188 0.000556179 28
8204 50 C 16.266 38.8704 18.8498 0.00548466 0.00125626 0.00472127 28
8205 51 C 15.7573 40.0114 19.5022 -0.00184008 -0.00342719 -0.00250363 28
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8210 56 C 12.3569 36.0029 31.1774 0.00255165 -0.00193305 -0.000261488 28
8211 57 C 20.512 36.4779 15.0461 0.00350409 -8.482e-05 0.00301128 28
8212 58 C 19.5862 35.8478 13.9367 -0.00311005 -0.00219507 0.000958511 28
8213 59 C 19.4563 36.772 12.6686 0.00137107 -0.0030274 0.000802518 28
8214 60 C 18.9864 36.1569 11.3197 0.00407029 0.00112939 0.00137227 28
8215 61 C 18.7525 37.2325 10.2701 -0.00277718 0.00328444 0.00581559 28
8216 62 C 18.6882 36.6565 8.85071 -0.00148915 0.00163945 0.000937618 28
8217 63 C 18.5222 37.703 7.76583 0.00209128 0.00308161 0.00559918 28
8218 64 C 18.7884 37.0513 6.39262 0.000103256 -0.00210119 0.00286839 28
8219 65 C 18.475 37.9918 5.2174 0.000958239 -0.00327698 -0.00228039 28
8220 66 C 18.6011 37.2901 3.87819 -0.00247629 -0.00248494 0.00703655 28
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8222 68 C 18.1916 37.3711 1.36961 0.00285442 -0.00218719 0.00238712 28
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8225 71 C 15.6103 35.5294 12.8707 -0.0018446 0.00357608 -0.00303638 28
8226 72 C 15.3722 34.568 11.6637 0.00296993 0.00365545 0.00176401 28
8227 73 C 15.2098 35.4036 10.3786 0.00218681 -0.000720961 -0.0030035 28
8228 74 C 14.873 34.5893 9.10536 0.00296933 -0.00404368 0.0021573 28
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8457 1 C 17.3945 33.7146 31.1949 -0.00436723 -0.000687264 0.000676474 29
8458 2 C 17.4658 33.6062 29.8311 -0.000110698 -0.00201708 0.000708485 29
8459 3 C 16.9366 32.5115 29.1623 -0.00110246 0.0037604 -0.00262855 29
8460 4 C 16.2766 31.4966 29.8469 0.00504494 0.00301858 -0.00465257 29
8461 5 C 16.1788 31.5862 31.2614 -0.00365251 -0.00160417 0.00268106 29
8462 6 C 16.739 32.7297 31.9603 -0.00342839 0.000742991 -0.00108077 29
8463 7 C 11.7352 30.1465 30.7525 -0.00312988 -0.000861012 -0.00243369 29
8464 8 C 11.8913 30.1643 29.376 0.00248378 -0.00012578 -0.00545454 29
8465 9 C 13.1758 30.2046 28.8588 0.00506386 -0.00180605 0.000313621 29
8466 10 C 14.2732 30.2534 29.684 -2.27006e-05 0.00163239 0.00118577 29
8467 11 C 14.1406 30.2699 31.1057 -0.00295056 0.00284961 0.000121497 29
8468 12 C 12.8472 30.1704 31.6424 -0.00500585 -0.00185664 0.00491559 29
8469 13 C 17.4144 26.988 31.4133 -1.27589e-05 -0.00383865 0.00274795 29
8470 14 C 17.5456 26.9808 30.0205 0.000724491 0.000375459 -0.00575393 29
8471 15 C 17.0149 28.0265 29.2999 0.00171243 0.00344258 0.00216846 29
8472 16 C 16.3435 29.0652 29.9624 0.00505855 0.00072151 0.00219293 29
8473 17 C 15.7113 30.2406 29.2081 -0.000754495 0.000857899 -0.00220729 29
8474 18 O 16.7527 27.9253 33.5833 -0.00396318 0.000390908 0.000257811 29
8475 19 O 12.656 30.1797 33.0225 0.00353315 -0.00141869 0.0050956 29
8476 20 O 16.7438 32.8416 33.3414 0.00203749 -0.00317711 -0.00316889 29
8477 21 C 16.7329 27.9857 32.1731 -0.002282 -0.00235665 0.00096655 29
8478 22 C 15.935 30.2604 27.7657 0.00252718 -0.00232109 0.00114912 29
8479 23 C 16.5087 30.3683 26.6773 -0.00399462 -0.00397234 -0.000630501 29
8480 24 C 17.3499 30.5783 25.5643 -0.00113619 0.00203006 0.00423247 29
8481 25 C 17.4392 31.8418 24.9293 0.0023611 -0.000261045 -0.00088513 29
8482 26 C 18.4071 32.0119 23.9323 -0.00268484 0.00260111 0.00077131 29
8483 27 C 19.3178 31.0191 23.5934 0.000855213 -0.00295096 -0.00348167 29
8484 28 C 19.25 29.7753 24.2823 -0.00151731 -0.00120719 -0.000984174 29
8485 29 C 18.2258 29.5443 25.1911 0.000779474 0.00241756 0.00373624 29
8486 30 C 20.0937 31.1438 22.4246 0.00111246 0.00128004 -0.000351151 29
8487 31 C 20.5427 31.1277 21.2965 0.00391579 -0.000297905 -0.00202959 29
8488 32 C 19.0973 27.5826 19.2581 -0.00175745 0.000584645 -0.000723928 29
8489 33 C 19.4401 27.4237 17.9085 -0.00466112 0.00199846 0.00413149 29
8490 34 C 20.0939 28.4533 17.2327 -0.00232676 -0.00220557 -0.00364402 29
8491 35 C 20.44 29.6338 17.8855 0.000416184 0.00231905 0.00350471 29
8492 36 C 20.2292 29.7327 19.2904 0.00154284 0.000585139 -0.00137315 29
8493 37 C 19.49 28.6946 19.9534 0.000301164 0.00240781 -0.000253603 29
8494 38 C 20.8048 31.0177 19.8701 0.00312311 0.000209615 -0.000866203 29
8495 39 C 24.6533 30.9142 19.7056 -0.000119034 -0.00391748 0.00049962 29
8496 40 C 24.8281 30.8995 18.3123 0.00514584 -0.00324021 -0.00224413 29
8497 41 C 23.7194 31.0051 17.4753 -0.00102348 -0.00155746 0.00214041 29
8498 42 C 22.4401 30.997 18.0629 0.00212679 0.00450497 0.000310331 29
8499 43 C 22.2627 31.0549 19.4754 0.0044607 -0.00180406 -0.00399411 29
8500 44 C 23.3829 31.109 20.3178 -0.00164402 0.00566313 0.000191956 29
8501 45 C 18.8325 34.1935 18.7058 -0.00521394 0.000340583 0.00388579 29
8502 46 C 19.0482 34.0933 17.3303 -0.000788887 -0.00150224 0.000633393 29
8503 47 C 19.8349 33.0672 16.8002 -0.00140885 -0.00191986 0.00150694 29
8504 48 C 20.3434 32.0672 17.6659 0.00236938 0.000223631 0.00217423 29
8505 49 C 21.1526 30.8362 17.2585 0.000254674 0.00176763 -0.000962975 29
8506 50 C 20.1192 32.1484 19.0725 -0.00268698 -0.0020273 0.000584807 29
8507 51 C 19.3914 33.2296 19.5742 0.000775097 -0.00114766 -0.00397688 29
8508 52 O 23.8304 31.1685 16.098 0.00108403 0.00462155 0.00439323 29
8509 53 O 20.5012 28.3164 15.8995 -0.00460972 0.00239368 -0.00170858 29
8510 54 O 19.8888 32.9406 15.422 0.00283865 -0.00650939 0.000412171 29
8511 55 C 15.5028 30.3424 31.9161 -0.00301327 -0.0045012 -0.00187091 29
8512 56 C 16.2413 29.0931 31.4077 -0.00403305 0.00361904 -0.00385249 29
8513 57 C 23.5583 30.1477 15.1326 0.00281846 -0.000679355 0.0023905 29
8514 58 C 23.2327 30.9 13.8243 0.00239018 -0.000704771 -0.00445847 29
8515 59 C 22.6979 30.0061 12.6845 -0.0043096 -0.0021159 0.000993882 29
8516 60 C 22.4555 30.8195 11.3711 -0.0010089 -0.00183893 -0.00472583 29
8517 61 C 22.0148 29.9265 10.1547 -0.00392094 -0.00496028 -0.00484784 29
8518 62 C 21.8248 30.8583 8.92915 0.00193468 0.00313877 -0.00455807 29
8519 63 C 21.5568 30.0933 7.62113 -0.00356883 -4.50562e-05 -1.13225e-05 29
8520 64 C 22.8423 29.8697 6.7978 -0.000740083 -0.00252678 -0.00132003 29
8521 65 C 22.7848 30.4609 5.36194 0.00100486 0.00064559 0.00273038 29
8522 66 C 21.6608 29.9133 4.4583 -0.000911222 0.000566615 0.00214407 29
8523 67 C 22.0778 30.2854 2.99888 -0.00364494 -0.00173928 -0.00243067 29
8524 68 C 21.1222 29.6151 2.02931 -0.00171265 0.0025293 -0.00337975 29
8525 69 F 18.4022 33.1848 23.2331 -0.00380486 -0.00043175 -0.00108968 29
8526 70 C 21.0219 26.9992 15.5657 -0.000310205 -0.000574267 -0.00134805 29
8527 71 C 21.6632 27.0139 14.1612 0.000292974 0.00384523 0.000703214 29
8528 72 C 22.0476 25.6041 13.6714 -0.00466713 0.00142459 -0.00107247 29
8529 73 C 22.5757 25.4797 12.2287 -0.0011588 -0.00294519 -0.00167189 29
8530 74 C 21.8565 26.2288 11.0745 -0.00256911 0.00360653 0.00046037 29
8531 75 C 22.3896 25.6646 9.70054 0.00256512 -0.00234511 -0.00146225 29
8532 76 C 21.7647 26.2518 8.38721 -0.00347735 0.00361159 -0.000975189 29
8533 77 C 22.3269 25.5129 7.15206 -9.03177e-05 0.00103505 0.0023407 29
8534 78 C 21.913 26.1756 5.82027 -0.00139464 -0.00281187 -0.00404463 29
8535 79 C 22.427 25.3819 4.59416 -0.00180581 0.00122906 5.73067e-05 29
8536 80 C 22.2127 26.1369 3.273 -0.000456184 0.00485111 0.00373414 29
8537 81 C 22.7604 25.3814 2.04238 0.00113428 -0.00114756 0.00364251 29
8538 82 C 18.8705 32.1548 14.7853 0.00218549 0.00235295 0.00640332 29
8539 83 C 19.333 31.7655 13.3967 -0.00634432 -0.000449333 -0.00446498 29
8540 84 C 18.9547 32.715 12.2402 -0.00244617 -0.00274162 0.00114776 29
8541 85 C 18.6311 32.0135 10.905 -0.00108699 -0.00162514 -0.000215033 29
8542 86 C 18.5039 33.0551 9.7224 -0.0022516 0.00245454 -0.00656531 29
8543 87 C 18.2643 32.4232 8.32375 0.00592224 -2.85526e-05 -0.00307518 29
8544 88 C 18.3601 33.5009 7.25702 0.00163802 0.00295299 0.000569639 29
8545 89 C 18.7743 32.9841 5.83598 -0.00127369 -0.00409481 -0.00285045 29
8546 90 C 17.6767 32.2796 4.94405 0.00104741 0.00174643 0.00407383 29
8547 91 C 18.2393 32.1275 3.51002 -0.000724949 0.002762 -0.000209459 29
8548 92 C 17.3806 31.3611 2.47274 -0.000345644 -0.000379728 -0.000759085 29
8549 93 C 16.181 32.1947 2.00465 0.00239553 -0.00465777 0.000324952 29
8550 94 C 11.2918 30.2372 33.5134 -0.0052548 8.9274e-05 0.00345 29
8551 95 C 11.1672 30.1587 35.0546 -0.0017231 -0.00114123 0.0024787 29
8552 96 C 9.80678 30.7094 35.5496 -0.0016414 -0.00100326 -0.000600844 29
8553 97 C 9.89257 31.2935 36.968 -0.00158001 0.00102874 0.000220762 29
8554 98 C 9.96698 30.2985 38.1228 -0.000247476 0.00124742 0.000687522 29
8555 99 C 10.1665 31.128 39.4361 0.00363579 -0.000522215 0.00326729 29
8556 100 C 10.2849 30.2632 40.7378 -0.00155262 -0.00276994 0.000445459 29
8557 101 C 10.4381 31.1693 41.963 -0.00118411 0.00157088 0.0011123 29
8558 102 C 10.5362 30.4016 43.3026 0.00665171 -0.00244814 -0.00343052 29
8559 103 C 10.4368 31.386 44.4981 0.00154716 -0.000409664 0.00078969 29
8560 104 C 10.583 30.6673 45.8209 0.00307901 0.00524922 0.00565662 29
8561 105 C 10.1391 31.5904 46.9733 0.00215425 -0.00127573 0.00260314 29
8562 106 C 17.1695 34.1001 33.9489 -0.00558204 0.00179026 0.00259304 29
8563 107 C 17.2931 34.1165 35.4745 -8.80283e-05 -0.00288246 -0.00289043 29
8564 108 C 18.079 35.2911 36.0691 -0.000427989 0.0040503 0.00112258 29
8565 109 C 17.641 35.4512 37.5336 -0.000626911 0.00328359 -0.00268008 29
8566 110 C 18.7199 36.0339 38.432 -0.000831769 0.00165952 -0.00191165 29
8567 111 C 18.2627 36.3593 39.8868 -0.00255649 -0.000619945 -0.0015531 29
8568 112 C 18.14 35.1405 40.7822 0.00646652 -0.00443311 0.0035085 29
8569 113 C 18.0537 35.5737 42.246 0.000760859 0.00463753 -0.00502875 29
8570 114 C 18.2628 34.423 43.2309 0.00138492 0.00128729 0.000383515 29
8571 115 C 18.1967 34.9299 44.6826 0.000992443 0.00102004 -0.00422475 29
8572 116 C 18.5869 33.8238 45.6628 0.00061485 -0.000237637 -0.000831855 29
8573 117 C 18.5341 34.2608 47.1045 -9.86489e-05 0.00069025 0.00349784 29
8574 118 C 17.0415 26.6859 34.2578 0.000725126 -0.00240993 0.00505873 29
8575 119 C 17.0551 26.8146 35.7984 0.000358797 0.00104235 -0.00393838 29
8576 120 C 17.8509 25.6776 36.5007 -0.00175183 0.00148665 -0.00119128 29
8577 121 C 17.8664 25.6754 38.0682 -0.0017758 0.00117245 0.00193888 29
8578 122 C 17.7343 27.0549 38.7638 -0.00135437 -0.00235804 0.00149842 29
8579 123 C 17.361 26.9575 40.2732 0.00327901 0.0012236 -0.0010689 29
8580 124 C 18.1731 25.9167 41.1266 -0.00194861 0.00151197 0.0023846 29
8581 125 C 18.5654 26.3447 42.5809 0.00194013 -0.00420718 -0.00236678 29
8582 126 C 17.6725 25.944 43.7541 0.00205174 -0.00151114 0.00204063 29
8583 127 C 18.3994 26.1192 45.0957 -0.00336754 0.00390906 -0.000472805 29
8584 128 C 17.5757 25.6015 46.3055 0.00354804 0.00611801 -0.000668816 29
8585 129 C 16.5977 26.6526 46.8178 0.000429744 -0.00198927 0.00133125 29
8586 130 F 16.59 32.8697 25.1925 0.00133234 -0.00145566 -0.00037777 29
8587 131 H 17.8725 34.5877 31.6292 0.00792326 -0.0133131 0.012546 29
8588 132 H 18.062 34.3202 29.2708 0.00106071 0.00377933 0.00934944 29
8589 133 H 17.1218 32.4492 28.0941 -0.00869754 -0.00301776 -0.00355311 29
8590 134 H 10.73 30.1261 31.163 -0.00482427 -0.0055273 -0.00683268 29
8591 135 H 11.0395 30.1864 28.7028 0.00445494 -0.00542219 -0.00811904 29
8592 136 H 13.2967 30.2483 27.7804 -0.00338011 -0.00745372 -0.00086038 29
8593 137 H 17.8825 26.1602 31.9376 -0.00599603 -0.0172672 -0.0131411 29
8594 138 H 18.0712 26.1813 29.5068 0.00154237 0.000283281 -0.00477382 29
8595 139 H 17.1489 28.0152 28.2222 -0.00085407 -0.0112399 0.00200221 29
8596 140 H 19.865 28.9322 23.9818 -0.00409765 -0.00820114 0.0133567 29
8597 141 H 18.1714 28.5746 25.6771 0.00255223 0.00831292 0.0157042 29
8598 142 H 18.5898 26.7439 19.7256 -0.0108936 0.00650485 -5.51232e-05 29
8599 143 H 19.1601 26.5008 17.4092 -0.000984495 -0.0103029 0.024807 29
8600 144 H 19.2752 28.7666 21.0155 -0.00257875 0.00986264 -0.00133639 29
8601 145 H 25.5386 30.8509 20.3314 -0.00101991 -0.0107284 0.00107876 29
8602 146 H 25.8099 30.7246 17.8822 0.00331116 0.00429848 -0.00947295 29
8603 147 H 23.2696 31.179 21.3956 0.00599125 0.002295 0.00120939 29
8604 148 H 18.2712 35.0394 19.0914 -0.00631197 0.00644491 -0.0110457 29
8605 149 H 18.5177 34.7755 16.6725 -0.000670559 -0.00894007 -0.00717788 29
8606 150 H 21.23 30.7463 16.1679 0.0162208 -0.00910603 0.00106669 29
8607 151 H 19.1867 33.398 20.6273 -0.00607484 0.0042172 -0.00613889 29
8608 152 H 15.4077 30.4364 33.0049 0.00898501 0.0101202 -0.00206891 29
8609 153 H 24.4192 29.492 14.953 0.00599194 0.00179036 0.00863425 29
8610 154 H 22.6892 29.5684 15.468 0.0138085 -0.0108661 0.0132354 29
8611 155 H 24.1707 31.37 13.5038 0.000635592 -0.00278941 -0.0126366 29
8612 156 H 22.4912 31.6535 14.1168 0.00136875 -0.00781715 0.0114281 29
8613 157 H 21.7252 29.6103 13.0017 -0.00123818 0.00858014 0.0238194 29
8614 158 H 23.4328 29.2154 12.489 0.00637832 0.00882283 -0.0032225 29
8615 159 H 23.4145 31.2952 11.1313 -0.00139136 0.00202138 0.00139857 29
8616 160 H 21.7184 31.5969 11.6073 -0.000232625 0.000554105 -0.0102305 29
8617 161 H 21.0421 29.4602 10.3541 -0.00129315 -0.00619025 0.00502278 29
8618 162 H 22.7028 29.1289 9.84837 0.00332627 0.00104746 -0.00416617 29
8619 163 H 22.7398 31.4602 8.86836 0.00532309 -0.00143291 0.000899226 29
8620 164 H 20.9589 31.4987 9.13769 0.0024146 0.00210008 0.000651435 29
8621 165 H 20.8564 30.6331 6.97201 0.00684165 -0.000827321 -0.0119446 29
8622 166 H 21.0837 29.113 7.75747 0.00655558 -0.00464418 0.00210564 29
8623 167 H 23.1442 28.8152 6.78089 -0.0173689 -0.00718236 -0.00664538 29
8624 168 H 23.6617 30.3384 7.35657 0.00801828 -0.00043901 -0.0159772 29
8625 169 H 23.7523 30.1677 4.93611 -0.00270342 0.00594927 -0.00929048 29
8626 170 H 22.7654 31.5576 5.3813 0.00296807 0.0006512 0.00449465 29
8627 171 H 20.6662 30.3202 4.67881 -0.00205967 0.00470667 -0.01059 29
8628 172 H 21.5928 28.8208 4.52999 0.00222056 -0.000130296 -0.00539623 29
8629 173 H 23.1197 30.016 2.78606 -0.00164329 0.00401692 4.83612e-05 29
8630 174 H 21.9832 31.3659 2.83477 -0.00822036 -0.00105666 0.00469424 29
8631 175 H 20.1103 30.0314 2.10816 -0.0102353 -0.0164984 -0.0120296 29
8632 176 H 21.0647 28.5311 2.18713 0.00111769 0.00491243 0.0140057 29
8633 177 H 21.4288 29.8282 0.997815 -0.0181931 0.0149083 -0.00574772 29
8634 178 H 21.7345 26.6687 16.3314 -0.00769314 -0.00410902 0.00400305 29
8635 179 H 20.2131 26.2585 15.5906 -0.00500826 0.0045413 -0.00177193 29
8636 180 H 20.9228 27.4216 13.462 0.00928693 0.00952119 -0.00551311 29
8637 181 H 22.4985 27.7249 14.144 0.0125957 -0.0107727 -0.00466002 29
8638 182 H 22.8146 25.1711 14.3254 -0.00783034 0.00842891 0.00726673 29
8639 183 H 21.1423 24.9962 13.7907 0.00242145 -0.00780417 0.00563528 29
8640 184 H 23.6679 25.5725 12.1832 -0.00219335 0.0101195 0.000773261 29
8641 185 H 22.4355 24.4302 11.9418 0.00915362 -0.00624572 0.00540952 29
8642 186 H 20.7726 26.1032 11.187 -0.00373752 0.00614062 -0.00801888 29
8643 187 H 22.0261 27.3112 11.1291 0.000900854 0.00342553 -0.00667915 29
8644 188 H 23.4626 25.8894 9.66141 0.000893583 0.00378654 -0.01253 29
8645 189 H 22.2034 24.5836 9.68814 0.00401972 -0.00270707 0.00835268 29
8646 190 H 20.676 26.1243 8.43042 -0.00177628 -0.0100967 0.00153486 29
8647 191 H 21.9943 27.3228 8.32808 -0.00163023 0.00307515 -0.00350166 29
8648 192 H 23.4163 25.4149 7.235 -0.00201784 -0.0185652 0.00478765 29
8649 193 H 21.9562 24.481 7.18438 0.00292149 -0.000465013 -0.0113272 29
8650 194 H 20.8231 26.2542 5.72305 -0.00242618 -0.0184495 -0.00505736 29
8651 195 H 22.2812 27.2061 5.74368 0.0199315 -0.0107649 -0.00826084 29
8652 196 H 23.4856 25.1333 4.7386 -0.00336284 -0.0075503 -0.00365542 29
8653 197 H 21.8522 24.4496 4.53129 0.00928879 -0.00523869 -0.00531847 29
8654 198 H 21.1478 26.3335 3.09813 -0.00310082 -0.0163146 -0.00406304 29
8655 199 H 22.7605 27.083 3.36462 0.00307429 0.00404417 -0.00911073 29
8656 200 H 22.6828 25.9581 1.11243 0.0107575 0.0103557 0.00998079 29
8657 201 H 23.8291 25.1817 2.18849 0.000314833 -0.00832798 -0.000207521 29
8658 202 H 22.2376 24.4323 1.87175 -0.00765443 0.00302427 0.00739719 29
8659 203 H 18.6705 31.2713 15.404 0.00497804 -0.00529497 -0.00364944 29
8660 204 H 17.9705 32.7819 14.7695 -0.00829386 -0.013059 -0.00590635 29
8661 205 H 20.4261 31.6748 13.3836 -0.00553786 0.00705327 0.0116744 29
8662 206 H 18.9151 30.7689 13.2082 0.00551506 -0.0065694 0.00161728 29
8663 207 H 18.0342 33.2217 12.5556 0.00154035 -0.00450979 0.0156505 29
8664 208 H 19.7773 33.4187 12.0627 -0.00430623 0.00217792 0.0120973 29
8665 209 H 19.4209 31.2807 10.6983 -0.0143754 -0.0159584 -0.000234156 29
8666 210 H 17.6989 31.4355 10.9271 0.000715788 -0.00452857 -5.70995e-05 29
8667 211 H 17.7141 33.786 9.93521 -0.00613206 -0.00774146 0.0140067 29
8668 212 H 19.397 33.6894 9.66438 0.00326638 -0.00388616 0.00940053 29
8669 213 H 19.002 31.6658 8.03141 0.00184979 -0.00353661 -0.00426636 29
8670 214 H 17.2774 31.9443 8.33153 0.00695671 -0.00196026 0.0117029 29
8671 215 H 17.435 34.0864 7.18852 -0.00177052 -0.00267071 -0.00149064 29
8672 216 H 19.1536 34.207 7.53126 -0.00338349 0.00683377 0.00509175 29
8673 217 H 19.0598 33.9099 5.32145 0.00523818 0.000500952 0.00900036 29
8674 218 H 19.6897 32.3917 5.95593 -0.000229865 -0.00120661 0.003574 29
8675 219 H 17.4507 31.2701 5.3091 -0.013893 0.00390271 0.000775799 29
8676 220 H 16.7552 32.8738 4.90924 0.00233686 0.00330485 -0.00365829 29
8677 221 H 18.4358 33.1088 3.06079 0.0054641 0.0115089 0.021703 29
8678 222 H 19.2078 31.6126 3.5257 0.00059665 0.00537544 0.00346892 29
8679 223 H 18.0651 31.2269 1.626 -0.00196107 0.00529827 -0.00298201 29
8680 224 H 17.005 30.4369 2.929 0.00264043 0.00297055 0.00854039 29
8681 225 H 15.3934 32.3554 2.7511 -0.00291828 0.00379998 -0.00707892 29
8682 226 H 16.4991 33.1569 1.58476 0.00558857 -0.0064962 -0.00146739 29
8683 227 H 15.6777 31.6559 1.19239 0.000622137 0.00947284 -0.00794539 29
8684 228 H 10.8075 31.1444 33.1314 -0.000956317 0.00800813 0.0168331 29
8685 229 H 10.7015 29.3859 33.1524 0.00201334 0.00044883 -0.00919533 29
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8699 243 H 9.51434 31.7563 42.0382 -0.00249265 -0.00224518 0.0150779 29
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8705 249 H 11.611 30.3492 46.0337 0.00378856 0.0116256 0.0118068 29
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8710 254 H 16.4327 34.8629 33.6685 0.00935681 0.0195843 0.0117712 29
8711 255 H 16.2688 34.1743 35.863 -0.00270717 -0.00279468 -0.00980604 29
8712 256 H 17.754 33.204 35.8724 0.0048393 -0.00563289 -0.0149233 29
8713 257 H 19.162 35.1221 36.0231 -0.00145855 -0.00299914 0.00291772 29
8714 258 H 17.9581 36.2416 35.5348 0.00532031 0.00824188 0.00725351 29
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8721 265 H 17.2728 34.519 40.527 0.00344058 0.000707049 0.00127803 29
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8723 267 H 18.8787 36.2724 42.432 0.00670527 -0.00651923 0.0105552 29
8724 268 H 17.1151 36.131 42.3549 0.00109203 0.00749589 -0.0164899 29
8725 269 H 17.4687 33.6685 43.1711 0.00816403 -0.00753626 0.0206548 29
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8727 271 H 18.8557 35.8006 44.7865 -0.00422632 0.00575571 -0.0106811 29
8728 272 H 17.2059 35.2875 44.989 0.00491297 0.00134235 0.00817863 29
8729 273 H 17.8789 32.9935 45.5499 -0.00287244 0.00261111 4.67954e-05 29
8730 274 H 19.6002 33.4641 45.4454 0.000651203 0.00371805 -0.00719777 29
8731 275 H 18.8149 33.4213 47.7524 0.00296876 -0.00804801 -0.00916719 29
8732 276 H 19.2569 35.0608 47.3066 -0.0116782 0.00802083 0.0159857 29
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8736 280 H 16.0318 26.822 36.1935 0.00180613 0.0116149 -0.000333134 29
8737 281 H 17.4365 27.8148 36.0384 0.00502344 -0.00274073 0.00435153 29
8738 282 H 18.8923 25.6735 36.1559 -0.00188367 0.0095621 -0.00166272 29
8739 283 H 17.521 24.718 36.0839 -0.00416858 -3.12e-06 0.00418759 29
8740 284 H 18.7225 25.1068 38.4519 0.0062643 0.00870928 -0.00486825 29
8741 285 H 16.9842 25.1146 38.4006 0.00221931 -0.00374548 0.0042177 29
8742 286 H 17.0038 27.6829 38.239 -0.00102458 -0.0128562 -0.0115656 29
8743 287 H 18.7233 27.5154 38.6491 -0.00564892 0.00725461 0.0032788 29
8744 288 H 16.304 26.6924 40.399 0.00755117 -0.0126532 0.00578838 29
8745 289 H 17.5168 27.9654 40.6771 -0.0107641 0.00191117 0.00259355 29
8746 290 H 19.1069 25.724 40.5841 -0.00816565 -0.0106704 -0.00401388 29
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8754 298 H 18.2948 25.332 47.089 -0.0016669 0.00115137 0.0023966 29
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8760 2 C 21.7297 40.4951 30.0944 -0.000659245 -0.0062216 -0.00383792 30
8761 3 C 21.1571 39.4446 29.3443 0.000242912 -0.00327723 -0.000864122 30
8762 4 C 20.4731 38.3947 30.0047 0.00249319 -0.00058416 0.000103264 30
8763 5 C 20.2754 38.4366 31.4154 -0.000589408 -0.00227909 0.00297982 30
8764 6 C 20.8285 39.5115 32.2023 -0.00221309 -0.00236891 0.00604104 30
8765 7 C 15.7459 37.0027 30.7056 -0.0015265 -0.00391735 -0.00176632 30
8766 8 C 15.9687 37.0056 29.3318 0.00227446 0.00281506 -0.00274392 30
8767 9 C 17.2609 37.1246 28.8093 -0.0036956 0.00085809 -0.000476017 30
8768 10 C 18.3369 37.1813 29.712 -0.00168778 -0.00407826 0.00228647 30
8769 11 C 18.1162 37.2515 31.1028 0.00052814 -0.00371747 -0.00459916 30
8770 12 C 16.8177 37.121 31.6179 -0.00209528 -0.00113003 0.00110561 30
8771 13 C 21.4793 33.9089 31.5694 -0.00118211 -0.00101413 0.00269128 30
8772 14 C 21.4765 33.7997 30.1765 -0.000332691 0.000486104 0.00130645 30
8773 15 C 20.8985 34.8193 29.4294 -0.00091629 1.02025e-06 0.00052482 30
8774 16 C 20.3339 35.9331 30.0663 0.000696718 -0.000353192 -0.00216587 30
8775 17 C 19.8248 37.1802 29.3236 0.00146729 -0.00404184 0.00212145 30
8776 18 O 20.8396 34.925 33.6265 -0.00337711 -0.00166514 -0.000372798 30
8777 19 O 16.6013 37.1557 32.9635 -0.00398705 -0.00284848 0.00350495 30
8778 20 O 20.7543 39.6961 33.5844 0.00148167 -0.00322485 -0.00231459 30
8779 21 C 20.7821 34.91 32.2525 0.00244749 -0.00175963 0.00404166 30
8780 22 C 20.1745 37.1574 27.9003 0.00250579 -0.00392472 -0.00307321 30
8781 23 C 20.6919 37.1511 26.8177 -0.00206465 0.00141416 -0.00143648 30
8782 24 C 21.4164 37.218 25.5913 0.00270371 0.0048476 -0.00150254 30
8783 25 C 21.051 38.148 24.5847 -0.00363546 -0.0014528 0.00233906 30
8784 26 C 21.8633 38.276 23.4392 0.000460214 -0.000173407 -0.00331584 30
8785 27 C 23.0587 37.5135 23.343 0.00153157 0.00328935 0.00157087 30
8786 28 C 23.4214 36.5939 24.346 0.00170065 0.00133114 -0.000258303 30
8787 29 C 22.5429 36.3896 25.4143 0.0016208 -0.003196 -0.00272074 30
8788 30 C 23.8244 37.5964 22.2077 -0.000593046 0.00431327 0.00200436 30
8789 31 C 24.3075 37.6427 21.1196 -0.00244555 -0.00617644 -0.00102318 30
8790 32 C 22.8117 34.3175 18.8509 0.00315551 -0.00396389 7.20918e-05 30
8791 33 C 22.9859 34.2911 17.4332 -0.00253961 -0.00120064 0.000684564 30
8792 34 C 23.6617 35.3835 16.7957 -0.00281026 0.000886891 0.00499506 30
8793 35 C 24.1459 36.4527 17.589 -0.000988201 -0.00291907 0.00331735 30
8794 36 C 23.9755 36.4485 18.9899 0.00267035 -0.00319917 -6.3243e-05 30
8795 37 C 23.2532 35.3883 19.5812 -0.00196086 -0.00349216 -0.000905076 30
8796 38 C 24.6266 37.6373 19.6953 0.00122876 -0.00368272 0.000104089 30
8797 39 C 28.4957 37.7433 19.5257 -0.000492151 0.000227989 0.00344443 30
8798 40 C 28.5974 37.7866 18.1431 -0.000473268 -0.00117892 0.00096465 30
8799 41 C 27.521 37.6446 17.2832 0.00416165 -0.00277689 -3.0949e-05 30
8800 42 C 26.2434 37.5749 17.8399 0.00408121 -0.00528965 0.00230444 30
8801 43 C 26.0838 37.6387 19.2541 -0.000219811 0.00030569 0.000668221 30
8802 44 C 27.2207 37.6827 20.108 -0.00096095 0.00383842 -0.000843494 30
8803 45 C 23.0739 41.0986 18.8246 -0.000548579 0.0065472 -0.00025221 30
8804 46 C 23.3035 41.0973 17.4396 -0.000360736 -0.000379697 0.00227121 30
8805 47 C 23.9061 40.0041 16.7676 -0.00235733 0.00212923 -0.00154913 30
8806 48 C 24.2864 38.9136 17.5603 0.00352032 0.00297001 -0.000408346 30
8807 49 C 24.9405 37.6571 17.0187 -0.00093716 -0.00520345 -0.003162 30
8808 50 C 24.0855 38.8948 18.9561 -0.00272399 -0.000198248 -0.00314235 30
8809 51 C 23.5082 40.0002 19.5857 0.00190894 0.00168996 -0.00623187 30
8810 52 O 27.6 37.6917 15.9192 -0.0036911 0.000918993 0.00158442 30
8811 53 O 23.8404 35.4442 15.4255 -0.00208939 -0.00240827 0.0022558 30
8812 54 O 23.996 40.0061 15.4415 -0.00389634 -0.000799434 -0.00127051 30
8813 55 C 19.4543 37.2569 31.93 0.00197956 -0.000155503 -0.00312204 30
8814 56 C 20.2315 35.9703 31.4732 0.000624325 -0.000243072 0.0055581 30
8815 57 C 28.2052 36.6272 15.1933 0.00369907 0.00494204 0.00060488 30
8816 58 C 27.272 36.1485 14.0401 -0.000349517 -0.002767 -0.00283975 30
8817 59 C 27.2727 37.1638 12.8913 -0.000173559 0.00162236 -0.00171646 30
8818 60 C 26.3968 36.7308 11.7082 0.000926979 0.00338942 -0.00474864 30
8819 61 C 26.7013 37.6591 10.4927 -0.0021345 -0.00159813 0.000295862 30
8820 62 C 26.3552 36.9686 9.18369 0.000500337 -0.0043409 -0.00183256 30
8821 63 C 26.3459 37.9281 7.94846 -0.00213896 0.00164274 0.000414245 30
8822 64 C 26.2614 37.1652 6.6392 -0.00239977 -0.000823378 -0.00330989 30
8823 65 C 25.9863 38.0331 5.40866 0.00187808 0.00402029 -0.000637093 30
8824 66 C 25.855 37.1613 4.149 0.000818183 -0.00400209 -0.0043027 30
8825 67 C 25.4519 37.9793 2.9012 -0.000777742 0.00258414 0.000875753 30
8826 68 C 24.9327 37.0176 1.78376 -0.00215922 -0.00397613 -0.00251424 30
8827 69 F 21.4644 39.1386 22.516 -0.000979119 0.00149454 0.00209669 30
8828 70 C 23.2655 34.4886 14.5134 0.00266762 -0.00568744 0.000539305 30
8829 71 C 23.5184 35.102 13.1437 0.00246494 -0.0015153 -0.001708 30
8830 72 C 22.6374 34.4773 12.0574 -0.00279707 0.00205575 -0.00217211 30
8831 73 C 23.1529 34.7326 10.6293 -0.001649 -0.000527159 -0.000227549 30
8832 74 C 22.0717 34.2679 9.64318 0.0010456 0.00369845 -0.000826605 30
8833 75 C 22.5172 34.0316 8.14844 -0.00173183 -0.00194387 -0.00117708 30
8834 76 C 22.7519 35.3924 7.47188 0.00530665 0.00524467 0.000951325 30
8835 77 C 23.0854 35.3307 5.97326 -0.000749102 -0.00116353 -0.000426908 30
8836 78 C 21.9258 34.7772 5.13734 0.00145251 0.0040664 0.000390343 30
8837 79 C 22.0782 35.183 3.67047 -0.000577695 -0.00072679 0.00342063 30
8838 80 C 21.1024 34.4929 2.74984 0.0052465 0.000991636 0.000610307 30
8839 81 C 21.3314 35.0111 1.32344 0.000389666 -0.00339869 -0.00129445 30
8840 82 C 25.203 40.3958 14.7248 0.00578733 -0.000796917 0.00262922 30
8841 83 C 24.9367 40.4407 13.2258 0.00438805 0.00299382 -0.00036663 30
8842 84 C 26.0198 41.0506 12.2897 0.00153144 -9.87035e-05 -0.00382821 30
8843 85 C 25.4545 41.4603 10.9174 -0.00327937 0.002209 0.000334633 30
8844 86 C 26.4493 41.7245 9.8029 -0.00366755 -0.00493132 -0.0038406 30
8845 87 C 25.7182 42.5514 8.68739 -0.00460108 0.00618601 -0.000164808 30
8846 88 C 26.4088 42.6115 7.26411 -0.00136227 -0.00418773 -0.00279973 30
8847 89 C 26.0896 41.3638 6.41728 0.00021059 -0.00168498 0.000933916 30
8848 90 C 25.7999 41.6433 4.96106 -0.00512423 -0.000390229 -0.00213319 30
8849 91 C 26.9737 42.2268 4.14005 -0.000111018 0.00221634 -0.00244149 30
8850 92 C 26.6014 42.557 2.73795 0.00303794 -0.000188228 -0.00234545 30
8851 93 C 26.0809 41.3754 1.88453 -0.00296486 -0.0010963 0.00494144 30
8852 94 C 15.2045 37.0295 33.3951 -0.00260678 -0.00134911 -0.00431274 30
8853 95 C 15.1712 36.9899 34.9283 0.000635394 -0.00162357 -0.00179328 30
8854 96 C 13.8209 36.7272 35.5393 0.00256929 0.00185743 -0.000740712 30
8855 97 C 13.8806 36.3216 36.987 -0.000826231 -0.00210036 0.00207556 30
8856 98 C 14.0981 37.4239 38.0156 0.00246549 0.00043528 0.00386234 30
8857 99 C 14.2629 36.7638 39.3891 5.38249e-05 0.00150501 -0.00135878 30
8858 100 C 14.1033 37.7824 40.506 0.000136973 0.0012902 -0.000467736 30
8859 101 C 13.9959 37.2087 41.9426 -0.00169007 -0.00261505 0.00197952 30
8860 102 C 13.9038 38.3361 43.005 -0.000905596 -0.00201874 0.000141005 30
8861 103 C 14.0338 37.731 44.4151 0.00198304 -0.00181476 -0.00734208 30
8862 104 C 14.101 38.8968 45.4577 -0.00177739 -0.00155382 -0.00225301 30
8863 105 C 14.3983 38.4198 46.8761 -0.0026 -0.000720865 -0.00261948 30
8864 106 C 21.396 40.8488 34.1817 0.00205601 0.000120794 -0.00114131 30
8865 107 C 21.2252 40.9664 35.691 -0.00162226 0.00376528 -0.000731436 30
8866 108 C 22.148 42.1373 36.1603 5.4079e-05 0.000685325 0.00119429 30
8867 109 C 21.9195 42.5976 37.6078 0.00256818 -0.0016445 0.00411994 30
8868 110 C 21.9892 41.5514 38.7687 -0.00427315 0.0023595 0.000673808 30
8869 111 C 21.855 42.1964 40.1521 -0.00207885 -0.00066821 0.00260871 30
8870 112 C 21.8652 41.2791 41.3885 -0.00295404 0.00201474 -0.00145775 30
8871 113 C 21.9741 42.0505 42.7517 -0.00115312 0.000734154 0.000619992 30
8872 114 C 21.7746 41.1442 44.0103 0.00275325 -0.00108114 0.000341138 30
8873 115 C 21.7856 41.9785 45.3232 0.00119055 -0.00376634 0.00514533 30
8874 116 C 21.6193 41.1907 46.6279 -0.00136244 -0.0024905 -0.00501059 30
8875 117 C 21.7427 42.1546 47.784 0.00366438 0.00217375 -0.004442 30
8876 118 C 20.6752 33.6881 34.3502 -0.000583461 0.0010974 -0.00198021 30
8877 119 C 21.6882 33.5643 35.5317 -0.00555289 0.00219604 -0.00704486 30
8878 120 C 21.1184 32.9059 36.8249 0.00512258 0.00317271 -0.00266962 30
8879 121 C 21.9946 33.0519 38.0574 0.000584592 -0.000100599 -0.00271749 30
8880 122 C 21.3345 32.4121 39.296 -0.00121593 0.00157042 0.000307734 30
8881 123 C 22.4368 32.1522 40.3497 0.0035778 0.00359482 0.000197141 30
8882 124 C 22.7899 33.3683 41.2615 -0.00231049 0.000963414 0.00203608 30
8883 125 C 22.1225 33.3078 42.6659 -0.00119273 0.00234589 0.000760496 30
8884 126 C 22.82 32.2247 43.5702 -0.0011292 -0.000437512 -0.0058737 30
8885 127 C 22.0648 31.9728 44.8887 -0.00306871 -0.000844816 -0.00342357 30
8886 128 C 22.3362 33.0642 45.9726 -0.00385646 0.00059437 0.00238064 30
8887 129 C 21.8035 32.5983 47.3093 0.00150312 -0.000405009 -0.00204779 30
8888 130 F 19.8803 38.8217 24.7057 0.000151757 0.000765419 -0.000215613 30
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8890 132 H 22.3127 41.2799 29.6216 0.00511939 -0.00171904 0.0107331 30
8891 133 H 21.2671 39.4838 28.2646 -0.00391203 -0.0103715 -0.00153966 30
8892 134 H 14.7038 36.925 31.0011 0.00120295 0.00016122 0.00887954 30
8893 135 H 15.1052 37.0352 28.6738 -0.00284936 0.00425219 0.00402674 30
8894 136 H 17.3962 37.0802 27.7327 -0.00248385 0.00397273 -0.000448277 30
8895 137 H 22.0701 33.1905 32.1299 0.0071337 -0.0042172 -0.0101584 30
8896 138 H 21.9888 32.9934 29.66 0.0145183 0.0100391 0.0011113 30
8897 139 H 20.8709 34.7213 28.3481 -0.00883502 0.00503926 0.000262151 30
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8899 141 H 22.7802 35.7249 26.2397 0.00880728 -0.00994578 -0.0102689 30
8900 142 H 22.3229 33.4995 19.3717 -0.00109614 0.00060234 0.0032377 30
8901 143 H 22.6237 33.4737 16.8167 0.0160114 -0.00734001 -0.00209002 30
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8903 145 H 29.3926 37.882 20.1222 -0.00194821 -0.00236862 0.00622976 30
8904 146 H 29.58 37.8993 17.6945 0.000418044 -0.00153933 0.00282702 30
8905 147 H 27.056 37.8354 21.1706 -0.00694274 0.00267941 -0.00159325 30
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8907 149 H 22.9605 41.9687 16.8897 0.00836247 0.00262086 0.00158174 30
8908 150 H 25.0829 37.6565 15.931 -0.00408925 -0.00298015 -0.00357444 30
8909 151 H 23.3356 39.9916 20.6579 0.0137974 -0.0044231 -0.00436798 30
8910 152 H 19.2932 37.2456 33.015 -0.0175323 -0.0104815 -0.00610839 30
8911 153 H 29.1587 36.9679 14.7712 -0.006845 0.00795525 -0.0207969 30
8912 154 H 28.4115 35.7593 15.8318 0.00133403 0.00535714 0.00192781 30
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8914 156 H 27.6582 35.2051 13.6348 0.0134992 0.000840177 0.00195639 30
8915 157 H 28.3113 37.173 12.538 0.00106457 -0.0160155 0.00141564 30
8916 158 H 27.0278 38.1694 13.2548 0.0153467 0.0028294 0.00546498 30
8917 159 H 25.3486 36.8153 12.0206 0.000132645 0.0111655 -0.00953356 30
8918 160 H 26.5753 35.682 11.4407 -0.00880608 0.00389939 -0.0132746 30
8919 161 H 27.7716 37.8972 10.4574 -0.0031307 0.00516547 0.0156249 30
8920 162 H 26.1967 38.63 10.571 0.00357293 0.00169267 -0.00358799 30
8921 163 H 25.3806 36.4812 9.3101 0.00664114 -0.0137036 0.00953953 30
8922 164 H 27.0771 36.1533 9.05161 0.00753415 0.00256929 -0.00601701 30
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8925 167 H 25.4717 36.4047 6.67574 0.00953163 -0.0126525 0.00766408 30
8926 168 H 27.2143 36.6535 6.4561 -0.00365172 -0.00224742 -0.00585737 30
8927 169 H 26.7748 38.79 5.31423 0.00663764 -0.0015653 -0.00549614 30
8928 170 H 25.062 38.6039 5.56127 0.00417264 0.00705835 0.00191061 30
8929 171 H 25.0976 36.3782 4.27773 -0.00204052 -0.00191819 -0.00838957 30
8930 172 H 26.8109 36.6566 3.96198 0.00372822 -0.00138075 0.00348581 30
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8933 175 H 25.6591 36.2181 1.59256 -0.000524155 -0.00328738 0.000813176 30
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8937 179 H 22.1756 34.428 14.622 0.00466159 -0.0085683 0.0186804 30
8938 180 H 23.4895 36.1986 13.1498 0.00420452 -0.00152444 0.00841722 30
8939 181 H 24.5504 34.7891 12.9426 -0.000677208 -0.0116994 -0.00208771 30
8940 182 H 22.6331 33.3886 12.1922 7.28897e-05 0.00207407 -0.00191661 30
8941 183 H 21.6107 34.8555 12.1367 -0.00549051 -0.00424949 -0.00694379 30
8942 184 H 23.2881 35.8113 10.4829 -0.00595914 0.00151953 0.0108173 30
8943 185 H 24.0918 34.1943 10.4502 -0.000327079 0.00286183 -0.00347495 30
8944 186 H 21.6038 33.3344 9.9792 -0.00314394 0.00239334 -0.0102183 30
8945 187 H 21.2727 35.019 9.67268 -0.00171576 0.00147131 -0.0194304 30
8946 188 H 23.4258 33.4182 8.10949 0.00501126 0.00841683 -0.00705664 30
8947 189 H 21.7221 33.5243 7.58817 0.00176505 0.00114301 -0.00895168 30
8948 190 H 21.837 35.9768 7.62939 -0.00109352 -0.00693597 0.00916614 30
8949 191 H 23.6152 35.8441 7.97595 -0.00288226 0.00941852 0.0112031 30
8950 192 H 23.338 36.3471 5.6468 -0.00364822 0.00225855 0.007972 30
8951 193 H 23.9665 34.6987 5.8073 0.00548222 0.00956525 -0.00812107 30
8952 194 H 21.8486 33.6885 5.24855 -0.00944968 0.00412682 -0.00657057 30
8953 195 H 20.9925 35.2168 5.51037 -0.00191132 0.0037831 -0.00770101 30
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8957 199 H 20.0918 34.7997 3.04629 0.0131598 0.0110031 0.0172256 30
8958 200 H 20.4183 34.8063 0.750966 -0.0115038 0.00132525 0.015985 30
8959 201 H 21.5438 36.087 1.34702 0.000526242 -0.00347404 0.00100625 30
8960 202 H 22.1203 34.4442 0.813801 -0.0025318 -0.0117574 0.00344744 30
8961 203 H 25.6273 41.3209 15.1342 0.00205742 0.0015178 0.00123555 30
8962 204 H 25.9559 39.6214 14.9168 0.00401669 -0.00525742 -0.00849344 30
8963 205 H 24.7692 39.4024 12.9138 -0.000953238 0.00372916 6.40545e-05 30
8964 206 H 24.0265 41.022 13.0336 0.00548606 0.00130703 -0.0107147 30
8965 207 H 26.4884 41.938 12.7328 -0.00119772 -0.00442087 0.00768269 30
8966 208 H 26.7885 40.2895 12.1079 -0.00350505 -0.00419451 -0.00799578 30
8967 209 H 24.8163 40.6414 10.563 0.00376177 8.24455e-05 -0.00744903 30
8968 210 H 24.8271 42.3548 11.0153 0.000323487 0.00418251 0.00535422 30
8969 211 H 27.2967 42.2882 10.2123 -0.00259518 -0.00455534 -0.00658401 30
8970 212 H 26.7852 40.7417 9.44987 0.00378071 -0.00366382 -0.00026819 30
8971 213 H 24.676 42.2319 8.56473 -0.00403331 0.00420685 0.000161703 30
8972 214 H 25.7252 43.5802 9.06802 0.0114314 0.00886782 -0.00761497 30
8973 215 H 25.9686 43.4929 6.78165 0.00989869 0.00218263 -0.00140447 30
8974 216 H 27.4973 42.7348 7.32099 -0.00103186 -0.0126783 0.00933714 30
8975 217 H 26.8898 40.6284 6.56648 0.00743618 0.000926135 -0.0253443 30
8976 218 H 25.2259 40.8952 6.90489 0.0067591 -0.0119584 0.00267117 30
8977 219 H 25.5062 40.6935 4.49745 0.0142876 -0.00557097 -0.00385513 30
8978 220 H 24.9617 42.341 4.84262 -0.00409088 -0.00019949 -0.00841039 30
8979 221 H 27.3356 43.1535 4.6024 0.00487309 -0.000709418 -0.000480232 30
8980 222 H 27.8178 41.5262 4.13807 -0.00697173 -0.00606191 0.00196334 30
8981 223 H 25.8628 43.3674 2.772 0.00965777 0.00551028 0.0058091 30
8982 224 H 27.5046 42.9514 2.2561 -0.00484291 0.0118639 -0.00723277 30
8983 225 H 26.8558 40.6002 1.8393 -0.00316063 -0.0002923 -0.0122578 30
8984 226 H 25.2126 40.8369 2.28396 -0.00321572 -0.00607863 -0.00228831 30
8985 227 H 25.9318 41.6457 0.831862 -0.00799888 -0.00499926 0.00465469 30
8986 228 H 14.665 37.8631 32.9288 0.0139338 0.00512834 -0.01198 30
8987 229 H 14.7853 36.0816 33.0359 -0.00710726 -0.00113632 0.000376865 30
8988 230 H 15.8432 36.2021 35.2903 -0.00472656 -0.00181739 0.00775113 30
8989 231 H 15.5756 37.9279 35.3283 -0.0189452 0.0116066 -0.0131308 30
8990 232 H 13.0675 37.5062 35.3694 0.00498183 0.00514357 0.0036925 30
8991 233 H 13.3776 35.8799 35.0019 0.0106258 -0.00581397 0.00474551 30
8992 234 H 12.9075 35.8657 37.2074 -0.00509462 0.0124 0.0133271 30
8993 235 H 14.695 35.5962 37.1053 0.00465131 0.00305227 -0.00392252 30
8994 236 H 14.9438 38.081 37.7779 0.000326422 0.00512933 0.00921613 30
8995 237 H 13.1706 38.0093 37.999 -0.00294087 -0.00790592 0.0109314 30
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8999 241 H 13.1813 38.3384 40.2958 0.0037765 0.00927129 0.00471256 30
9000 242 H 13.1367 36.5379 42.0657 0.00354555 -0.00994589 -0.00144253 30
9001 243 H 14.894 36.6167 42.1579 0.00165867 0.00110646 -0.00177528 30
9002 244 H 14.6827 39.0694 42.762 -0.00541044 0.00363464 0.00280434 30
9003 245 H 12.9382 38.8426 42.8851 0.00803206 0.0167542 0.00765735 30
9004 246 H 13.1964 37.0594 44.6409 0.00571011 -0.00226925 0.00512928 30
9005 247 H 14.9909 37.2016 44.5 0.00499113 0.00570925 0.00600922 30
9006 248 H 14.8715 39.6065 45.1321 -0.00776925 -0.000921553 -0.0150926 30
9007 249 H 13.1374 39.4207 45.4793 0.00199561 0.00531271 -0.000648427 30
9008 250 H 13.7333 37.6298 47.2463 0.00859274 -0.00195178 0.0149617 30
9009 251 H 15.3885 37.9476 46.8754 -0.000712981 0.0032563 -0.0124187 30
9010 252 H 14.3975 39.2788 47.5584 0.00750774 0.0048502 -0.00961685 30
9011 253 H 22.4737 40.8521 33.9767 0.00279108 -0.00841094 0.00260985 30
9012 254 H 20.9699 41.7621 33.7486 0.00915382 0.008226 0.00895411 30
9013 255 H 20.1641 41.1324 35.9141 -0.00130223 0.0121976 -0.00546044 30
9014 256 H 21.5784 40.0488 36.1774 0.00172778 0.00685833 0.00267027 30
9015 257 H 23.2035 41.8389 36.1503 -0.00345129 -0.0109714 -0.0161434 30
9016 258 H 22.0126 43.041 35.5533 -0.00526184 -0.00431475 -0.00504751 30
9017 259 H 22.642 43.396 37.8177 -0.00104386 0.00504325 -0.00889016 30
9018 260 H 20.9241 43.0557 37.6601 0.00726334 0.00785442 0.0101448 30
9019 261 H 21.2023 40.7952 38.6583 -0.0111687 0.00862112 0.00697567 30
9020 262 H 22.948 41.0224 38.7029 -0.0032887 0.00341436 0.00659743 30
9021 263 H 22.6761 42.9174 40.2485 -0.00961974 0.00874392 -0.00336821 30
9022 264 H 20.9737 42.8483 40.1937 0.0012185 0.00397179 -4.65603e-05 30
9023 265 H 20.9737 40.646 41.3006 -3.44298e-05 -0.00393402 0.0121207 30
9024 266 H 22.7344 40.6191 41.2778 -0.00703924 -0.00115397 -0.0146947 30
9025 267 H 22.9263 42.5881 42.8398 -0.00326176 0.0035804 0.00614129 30
9026 268 H 21.2126 42.8381 42.8082 -0.00332351 -0.000840047 -0.00682958 30
9027 269 H 20.7761 40.7007 43.9112 0.00472854 -0.00406319 -0.00618301 30
9028 270 H 22.5515 40.3702 44.0378 -0.00849467 -0.0128286 -0.013166 30
9029 271 H 22.7231 42.5466 45.3663 -0.00550682 0.00874688 -0.0140339 30
9030 272 H 20.9619 42.703 45.3316 0.00136217 -0.00351906 -0.000567349 30
9031 273 H 20.6494 40.6823 46.692 0.00242731 -0.00996724 -0.00696089 30
9032 274 H 22.4133 40.438 46.7074 0.00303029 0.00257425 -0.000840181 30
9033 275 H 22.7897 42.424 47.9703 0.0030113 0.000455682 0.00176949 30
9034 276 H 21.1306 43.0637 47.7366 -0.00129699 -0.000690183 0.00444791 30
9035 277 H 21.446 41.5901 48.6766 0.00616951 0.0130649 0.00326589 30
9036 278 H 19.6385 33.6525 34.7071 0.00464221 0.00470826 0.0135264 30
9037 279 H 20.781 32.7889 33.7309 -0.00959049 0.00710627 -0.0122275 30
9038 280 H 22.0706 34.5278 35.8906 -0.00304592 0.00335534 -0.0128632 30
9039 281 H 22.6016 33.0502 35.208 -0.00317403 -0.000239671 0.00353458 30
9040 282 H 20.9777 31.8268 36.6865 -0.00999514 0.00616067 -0.0105898 30
9041 283 H 20.1193 33.3114 37.0268 0.00449286 -0.0015577 0.00371657 30
9042 284 H 22.202 34.1198 38.1984 -0.0114101 0.00301689 -0.00853928 30
9043 285 H 22.9487 32.5336 37.9009 -0.00471296 -0.00782124 -0.00941761 30
9044 286 H 20.8302 31.4602 39.0887 -0.000569121 0.00411056 -0.0128141 30
9045 287 H 20.587 33.0791 39.7429 0.00841999 0.00563703 0.0103995 30
9046 288 H 23.3737 31.8504 39.8654 0.00896256 0.0101927 0.00647742 30
9047 289 H 22.1745 31.2849 40.9681 -0.00981851 0.0012199 -0.008845 30
9048 290 H 22.4738 34.3012 40.7786 0.00247613 0.00149784 -5.81245e-05 30
9049 291 H 23.8793 33.4272 41.3765 -0.00242718 0.0149175 -0.00396321 30
9050 292 H 21.0716 33.0542 42.4795 -0.00405093 0.0108977 0.00525939 30
9051 293 H 22.132 34.2679 43.1965 -0.0195882 0.00742323 -0.00811789 30
9052 294 H 23.8336 32.5225 43.8659 -0.000425394 -0.00910196 0.000501091 30
9053 295 H 22.975 31.306 42.991 -0.0252923 -0.00590129 -0.00361471 30
9054 296 H 22.5092 31.0717 45.3291 -0.000103897 0.000240745 -0.0041773 30
9055 297 H 20.9928 31.8308 44.704 -0.00133437 -0.0138391 -0.00343816 30
9056 298 H 21.8678 33.9866 45.6075 0.00946906 0.00949688 0.00779909 30
9057 299 H 23.4086 33.2705 46.077 -0.000766012 -0.0123823 -0.00376568 30
9058 300 H 22.3783 31.7087 47.5951 -0.00690741 0.000946587 0.018931 30
9059 301 H 20.767 32.2603 47.1881 0.00210512 -0.00763588 0.0130462 30
9060 302 H 21.8587 33.4013 48.0546 0.00148702 -0.012394 0.0108558 30
9061 1 C 25.5558 33.6739 31.1847 -0.00164161 -0.000301154 0.00034111 31
9062 2 C 25.6075 33.6447 29.7937 0.000408943 0.00110504 0.000561682 31
9063 3 C 24.8939 32.7051 29.0935 -0.000689336 0.00208692 -0.00033691 31
9064 4 C 24.1899 31.6759 29.7469 -0.00345873 0.00119544 0.000674172 31
9065 5 C 24.0542 31.7184 31.1868 0.00338112 0.00178361 0.00163724 31
9066 6 C 24.7061 32.7415 31.886 0.00127169 0.00143439 0.00109029 31
9067 7 C 19.5296 30.4735 30.5278 -0.00144517 0.0010193 -0.000678451 31
9068 8 C 19.7578 30.377 29.1532 -0.00412088 -0.00262763 0.00309359 31
9069 9 C 21.0382 30.3648 28.6307 0.00137075 -0.00175278 -0.00277564 31
9070 10 C 22.1361 30.46 29.5175 -0.00434542 0.00331256 0.00187426 31
9071 11 C 21.9504 30.4917 30.9185 -0.00407637 0.00223621 0.00152596 31
9072 12 C 20.6322 30.4487 31.4212 0.00107638 0.000596694 -0.000765455 31
9073 13 C 25.3834 27.314 31.4795 -0.00280931 -0.00251292 -0.00100131 31
9074 14 C 25.554 27.2658 30.1024 -0.00190791 -0.00508178 6.63213e-06 31
9075 15 C 24.9766 28.2278 29.3047 -0.00282948 0.000245518 -0.000479753 31
9076 16 C 24.2077 29.2516 29.8481 -0.0002793 0.00111643 0.00453895 31
9077 17 C 23.614 30.4325 29.0806 0.00375543 -0.000151772 -0.000273572 31
9078 18 O 24.3575 28.3302 33.4583 -0.00387852 0.00320332 0.00176326 31
9079 19 O 20.3949 30.417 32.7792 0.00226276 0.00426169 -6.26672e-05 31
9080 20 O 24.4914 32.9663 33.2372 -0.00222373 -0.0011617 0.00167278 31
9081 21 C 24.6051 28.3154 32.0852 -0.000283996 -0.00137241 0.000775198 31
9082 22 C 23.8978 30.4189 27.6744 0.00390171 0.00144505 -0.00165618 31
9083 23 C 24.453 30.4468 26.5931 -0.00171673 -0.00269713 -0.00373564 31
9084 24 C 25.2627 30.5991 25.4357 -0.00151597 -0.00109899 0.00156559 31
9085 25 C 25.3789 31.8283 24.8004 -0.00388119 0.00235602 -0.00616492 31
9086 26 C 26.2995 31.971 23.7215 0.00262525 0.000936081 0.0012266 31
9087 27 C 27.0759 30.841 23.3331 -0.00101223 0.00063316 0.00136801 31
9088 28 C 27.0221 29.6539 24.0667 0.00267762 -0.00177978 -0.00446379 31
9089 29 C 26.1025 29.5512 25.1265 -0.000499503 -0.003461 0.000759466 31
9090 30 C 27.8631 30.9286 22.1687 -0.00368906 -6.52223e-06 -0.000733083 31
9091 31 C 28.3208 30.9781 21.037 0.00178809 0.00907503 -0.0022513 31
9092 32 C 27.4326 27.2821 18.981 1.83922e-05 -0.0013147 0.0016056 31
9093 33 C 27.7924 27.1709 17.6556 0.00146988 -0.00062332 0.00025264 31
9094 34 C 28.2689 28.265 16.9241 0.000311636 -0.00097445 0.00522023 31
9095 35 C 28.3563 29.5041 17.6039 0.00203241 -0.00150383 -0.00382371 31
9096 36 C 28.1105 29.588 18.989 0.000404683 0.00274334 0.000189497 31
9097 37 C 27.6138 28.4682 19.6847 -4.69321e-05 -0.0057484 -0.00173492 31
9098 38 C 28.5681 30.9276 19.6039 -0.00344916 0.00381074 0.00148167 31
9099 39 C 32.4319 31.164 19.3212 -0.00077467 -0.00102299 -0.00354709 31
9100 40 C 32.4969 31.258 17.9014 -0.0021791 0.000753441 0.00290898 31
9101 41 C 31.3779 31.2914 17.0777 0.00187103 -0.00123535 0.00295519 31
9102 42 C 30.1555 31.0259 17.7247 -0.000868833 0.00321323 0.000317329 31
9103 43 C 30.0246 30.9965 19.1472 0.0036391 -0.00209649 0.00254053 31
9104 44 C 31.1602 31.0881 19.9378 -0.00142777 0.00369902 -0.00336382 31
9105 45 C 26.6198 34.0874 18.491 0.00165077 -0.0051371 0.00242214 31
9106 46 C 26.7293 33.9659 17.0924 0.00517806 0.000500282 -0.00208544 31
9107 47 C 27.4056 32.8625 16.5765 0.000919431 0.00133439 -0.00405129 31
9108 48 C 27.9744 31.9142 17.4472 0.00158399 0.00203151 -0.00218625 31
9109 49 C 28.8658 30.7916 16.9801 0.00279141 0.00132353 0.00287536 31
9110 50 C 27.8285 32.0434 18.8201 -0.000605786 -0.00265863 -0.00196313 31
9111 51 C 27.1503 33.167 19.3706 -0.00220242 0.00284794 -0.00403378 31
9112 52 O 31.4057 31.6681 15.7642 0.00122541 0.00152913 0.00281178 31
9113 53 O 28.7697 28.1288 15.6438 0.0015314 0.0026299 0.00110822 31
9114 54 O 27.6265 32.8056 15.2594 0.00266446 0.0029504 -0.000174303 31
9115 55 C 23.2694 30.5533 31.762 -0.00100634 -0.0024136 -0.000654749 31
9116 56 C 24.0485 29.3357 31.2714 -0.000615012 0.00464002 -0.00155676 31
9117 57 C 31.195 30.8706 14.6376 -0.000170545 0.00212622 -0.000647208 31
9118 58 C 30.4289 31.7032 13.6118 0.00373717 -0.00394896 -0.00449215 31
9119 59 C 30.4482 31.2335 12.1329 -0.000773351 0.000885011 0.0032838 31
9120 60 C 29.8774 29.9008 11.8086 -0.000816901 -0.00478489 0.000132229 31
9121 61 C 29.4906 29.7179 10.2997 0.00151421 0.00049333 -0.00108653 31
9122 62 C 30.3351 30.3458 9.23147 0.00133356 -0.00188057 -0.000303928 31
9123 63 C 29.762 30.0204 7.87142 0.000120553 0.00242401 -0.000415352 31
9124 64 C 30.5638 30.5254 6.67895 -0.00110912 0.0031478 0.00510227 31
9125 65 C 29.7959 30.2404 5.37159 0.00183214 -0.00225483 0.000295745 31
9126 66 C 30.6601 30.3558 4.12677 0.00448352 -0.000707526 0.001542 31
9127 67 C 29.8362 30.0986 2.88321 0.0022789 -0.000325699 9.23459e-05 31
9128 68 C 30.6532 30.1537 1.60855 0.000612077 0.000121233 -0.00508626 31
9129 69 F 26.452 33.1603 23.0534 -0.000655038 0.00166793 0.000955086 31
9130 70 C 29.0928 26.7946 15.1631 0.00550267 -0.000383305 -0.00237481 31
9131 71 C 29.519 26.7627 13.7061 0.000879868 -0.00295421 0.00571346 31
9132 72 C 30.1807 25.4176 13.4038 0.00177102 -0.000168673 0.0042799 31
9133 73 C 30.1948 24.9821 11.9337 -0.00379436 -0.0006748 0.00176001 31
9134 74 C 30.1087 26.05 10.8456 0.000944172 -0.000997149 0.00259171 31
9135 75 C 30.3913 25.3611 9.47711 0.00148238 0.00475358 0.000336779 31
9136 76 C 30.2011 26.2864 8.26325 0.000117393 -0.00282055 -0.00257626 31
9137 77 C 30.4909 25.5219 6.94544 -5.8104e-05 0.00160357 -0.000279838 31
9138 78 C 30.1868 26.3459 5.69048 -0.0012885 0.000375359 0.00053886 31
9139 79 C 30.6415 25.6304 4.4047 -0.00171799 0.000123766 0.000295212 31
9140 80 C 30.5467 26.4584 3.13461 0.000867306 0.00072952 0.00234509 31
9141 81 C 31.0251 25.6034 1.92309 -0.000712143 -0.000774405 0.000436625 31
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9309 249 H 19.3665 30.9195 46.0045 0.00321479 -0.00135862 0.0137165 31
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9327 267 H 26.1739 33.6881 41.4672 0.0135191 -0.0079443 0.0008348 31
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9340 280 H 26.0458 27.4097 34.8313 -0.00151449 -0.000839749 -0.00979394 31
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9344 284 H 26.6214 26.7311 37.5844 -0.00140614 0.0103549 0.00706858 31
9345 285 H 26.0555 25.1561 37.2579 -0.0017715 0.000207396 4.19473e-05 31
9346 286 H 24.1722 25.4647 38.9503 -0.00247064 -0.00431467 0.00575716 31
9347 287 H 24.6847 27.1295 39.1991 0.0207463 0.00555457 0.00207537 31
9348 288 H 26.8028 26.3801 40.157 -0.00472063 0.00315286 0.00275586 31
9349 289 H 26.2664 24.6623 40.0428 -0.00935454 -0.00426472 -0.00488904 31
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9355 295 H 25.0775 26.9589 44.1084 0.00236428 0.00156776 0.00757437 31
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9358 298 H 26.389 25.3311 47.4861 0.00121941 0.00419695 0.000776488 31
9359 299 H 24.7517 25.3184 46.7812 -0.004456 0.010663 -0.00255776 31
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9364 2 C 29.6453 40.5344 30.0064 0.000463697 0.00339186 -0.000872965 32
9365 3 C 29.0868 39.4475 29.3543 0.00088691 -0.000545612 -0.00337322 32
9366 4 C 28.361 38.4667 30.0553 -4.75987e-05 -0.00141484 0.00178504 32
9367 5 C 28.1675 38.5544 31.4461 0.00155202 -0.00381136 -0.00205522 32
9368 6 C 28.7654 39.6682 32.1396 -0.00268853 -0.00421198 0.00338732 32
9369 7 C 23.6383 37.2714 30.8035 0.00149079 -0.000290401 -0.00248179 32
9370 8 C 23.8146 37.2232 29.4402 0.000944252 0.00160801 -0.00198916 32
9371 9 C 25.1133 37.2615 28.9017 -0.00399822 0.000117823 -0.000769867 32
9372 10 C 26.2024 37.2771 29.7892 0.00243118 0.000141439 0.000959169 32
9373 11 C 26.0549 37.3146 31.2094 0.00151153 -0.00333647 0.00225819 32
9374 12 C 24.7265 37.3195 31.7412 0.00080217 -0.000746002 0.00201855 32
9375 13 C 29.2952 33.9635 31.5013 -0.00202227 -0.0023082 -0.00250251 32
9376 14 C 29.4218 33.9586 30.1058 -0.00555553 -0.00377039 0.000486506 32
9377 15 C 28.8542 34.9912 29.3944 -0.000121899 -0.00215003 0.00162101 32
9378 16 C 28.2483 36.0622 30.0699 -0.00175267 0.000402323 0.00199935 32
9379 17 C 27.688 37.2971 29.3233 -0.00301541 -0.00113345 0.00272231 32
9380 18 O 28.4991 34.8499 33.6124 -0.00133283 -0.00479121 0.0018333 32
9381 19 O 24.4501 37.3795 33.0999 0.00331212 -0.00253705 0.00069142 32
9382 20 O 28.6431 39.8476 33.5113 -0.00400142 0.000393903 -0.00012556 32
9383 21 C 28.6617 34.978 32.2314 0.00425952 0.00169027 -0.00280334 32
9384 22 C 27.939 37.2757 27.8731 0.000299736 -0.000277062 -0.00183464 32
9385 23 C 28.3536 37.2796 26.7397 -0.000996122 0.00320728 0.00123281 32
9386 24 C 29.0748 37.2726 25.4974 -0.000477148 -0.000312651 -0.000242143 32
9387 25 C 29.3912 38.4951 24.8988 -0.00107997 -0.00255038 0.0017547 32
9388 26 C 30.2511 38.4874 23.7649 -0.00142456 0.00295826 0.00534839 32
9389 27 C 30.8024 37.3035 23.2922 -0.000404499 -0.00236068 0.00214728 32
9390 28 C 30.4559 36.0774 23.9312 0.000938375 0.00058328 -0.00391367 32
9391 29 C 29.6268 36.0774 25.0526 0.00112921 0.00427536 0.000365026 32
9392 30 C 31.5533 37.349 22.0907 -0.000839877 0.000643756 0.000637205 32
9393 31 C 32.0484 37.404 20.988 -0.000705072 0.00204637 -0.000582458 32
9394 32 C 30.3465 34.528 18.1135 0.00160318 -0.000675005 -0.000707443 32
9395 33 C 30.5036 34.7153 16.7424 0.00034899 0.001607 -0.00578436 32
9396 34 C 31.3701 35.7809 16.328 0.000869453 0.00284128 -0.000372662 32
9397 35 C 31.9313 36.6146 17.2635 0.00115665 0.00278568 -0.00373962 32
9398 36 C 31.7196 36.4581 18.6508 -0.00427599 0.00325385 -0.0028207 32
9399 37 C 30.9235 35.372 19.0715 -0.00254365 0.00216697 0.00210071 32
9400 38 C 32.3851 37.5015 19.5554 0.00279455 0.00147199 0.000200445 32
9401 39 C 36.2467 37.429 19.3917 0.0027908 -0.00247465 0.00130349 32
9402 40 C 36.476 37.529 17.9904 -0.00413218 0.00258744 0.000658023 32
9403 41 C 35.3532 37.5409 17.131 0.00358233 0.000937329 -0.000660131 32
9404 42 C 34.0679 37.5468 17.7066 -0.000308215 -0.000289978 0.00211516 32
9405 43 C 33.8558 37.4446 19.1075 -9.63752e-05 -0.00100398 0.00390097 32
9406 44 C 34.9593 37.378 19.9655 -0.00494943 -0.00230625 -0.000254693 32
9407 45 C 30.8653 41.0547 18.902 -0.00303205 -0.00100047 0.000762424 32
9408 46 C 31.0258 41.1341 17.495 -0.00103974 -0.000168122 -0.00129492 32
9409 47 C 31.6515 40.0838 16.8347 0.00154813 0.000755087 0.00404831 32
9410 48 C 32.1069 38.9839 17.5498 -6.25651e-05 0.000223999 0.000889577 32
9411 49 C 32.8136 37.7921 16.8861 0.003193 -0.0019393 -0.000663129 32
9412 50 C 31.9059 38.841 18.9272 0.000899341 0.000132992 0.00111293 32
9413 51 C 31.3259 39.9288 19.6102 0.00542183 0.00319416 0.00230657 32
9414 52 O 35.4595 37.5742 15.7779 -0.000199683 -0.00203974 -0.000225319 32
9415 53 O 31.5177 36.1336 15.0129 -0.00126947 -0.000112628 0.000145866 32
9416 54 O 31.6324 40.0609 15.4623 0.00125435 -0.00190964 -0.00218967 32
9417 55 C 27.3885 37.3205 32.0052 -0.00564204 0.000100874 -0.000696257 32
9418 56 C 28.1306 36.0824 31.4952 -0.00179119 -0.00311567 -0.00484431 32
9419 57 C 35.4839 36.2791 15.1294 -0.00195012 0.00170384 0.00161467 32
9420 58 C 36.0977 36.3082 13.7175 0.00176436 0.000664165 -0.000965793 32
9421 59 C 35.2359 36.8587 12.5571 -5.80747e-05 0.000690052 0.00184533 32
9422 60 C 35.7676 36.4323 11.1816 -0.00103684 0.000679953 -0.00148577 32
9423 61 C 34.8476 36.9587 10.0425 -0.00190238 -0.0027434 0.000279422 32
9424 62 C 35.2297 36.5183 8.61222 -0.000886996 -0.00290687 0.00332874 32
9425 63 C 34.2524 36.9827 7.547 0.00337283 0.00284656 0.00086115 32
9426 64 C 34.7521 36.8392 6.07999 0.00215824 0.000851234 0.000323057 32
9427 65 C 33.4959 36.7002 5.18051 -0.00463364 0.00463463 0.00441757 32
9428 66 C 33.656 37.2753 3.7502 -0.000499144 -0.00480869 -0.0038406 32
9429 67 C 34.0779 36.2678 2.63099 -0.00115133 -0.0040933 -0.000267161 32
9430 68 C 33.7726 36.7696 1.22467 0.000352108 -0.00191 0.00106256 32
9431 69 F 30.5708 39.6563 23.1667 0.000347025 -0.00304633 -0.000191129 32
9432 70 C 31.1681 35.2883 13.9201 0.00153965 0.000492596 -0.00241677 32
9433 71 C 31.3141 36.2045 12.7112 -0.00278058 -0.000512702 -0.000716719 32
9434 72 C 31.328 35.4959 11.3346 0.00121019 -0.00211162 -0.0036151 32
9435 73 C 29.9262 35.0471 10.8283 -0.00174587 0.0031229 -0.000133753 32
9436 74 C 29.9763 34.6054 9.36733 -0.00101417 0.00325696 0.00127702 32
9437 75 C 30.1039 35.818 8.37685 0.00665243 -0.00218439 0.00177465 32
9438 76 C 30.6155 35.483 6.92506 0.00273777 -0.00144187 0.00278059 32
9439 77 C 29.7499 34.4967 6.12268 0.00185286 -0.00025836 -0.00166339 32
9440 78 C 30.4462 33.8818 4.89204 0.00566221 0.00140453 0.00351096 32
9441 79 C 30.7284 34.8581 3.72612 -0.00475906 0.0014589 0.00267209 32
9442 80 C 29.4584 35.2534 2.96086 0.000337546 -0.0015556 -0.00264661 32
9443 81 C 28.9119 34.1392 2.04211 -0.000152065 5.10063e-05 0.00233836 32
9444 82 C 32.6394 40.7353 14.7005 0.00263118 0.000352777 0.000420063 32
9445 83 C 33.1845 39.6873 13.7105 0.00248903 -0.000834803 0.0046024 32
9446 84 C 33.4003 40.2562 12.3401 -0.00151338 0.00430418 -0.00177412 32
9447 85 C 34.3935 41.3955 12.2373 -0.00225177 -0.00167051 0.00165079 32
9448 86 C 34.4691 42.0765 10.8738 0.0014231 -0.00195851 2.82394e-05 32
9449 87 C 34.6361 41.1615 9.64758 0.00447062 0.00242017 -0.00333991 32
9450 88 C 34.3395 41.9424 8.37352 0.00194988 0.00170274 0.00550405 32
9451 89 C 34.4675 40.9752 7.17982 -0.00164866 0.000348441 0.0018829 32
9452 90 C 34.3857 41.7553 5.837 0.00199341 0.00372485 0.00154207 32
9453 91 C 34.203 40.8079 4.67486 0.00270147 0.00409255 -0.000144662 32
9454 92 C 34.1769 41.5471 3.29712 3.38144e-05 0.00119393 0.00414041 32
9455 93 C 33.5455 40.6544 2.16995 -0.00112083 0.00256348 -0.000442316 32
9456 94 C 23.0986 37.5284 33.6686 -0.00428365 -0.00079959 -0.00288964 32
9457 95 C 23.1391 37.2437 35.1778 -0.00113667 0.00500934 -0.00333931 32
9458 96 C 21.7857 37.1828 35.9676 0.00238788 -0.00347362 -0.00198975 32
9459 97 C 22.0843 36.8076 37.4613 0.00339753 -0.00349184 -0.00284123 32
9460 98 C 22.0206 37.9855 38.4149 -0.00416625 0.0051848 0.00265925 32
9461 99 C 22.6352 37.7094 39.787 0.00513593 -0.00241788 -0.00229381 32
9462 100 C 21.6527 37.4265 40.9562 -0.00196219 0.00108927 -0.00150356 32
9463 101 C 22.4718 37.1836 42.2708 0.00162012 -0.000187954 0.000609413 32
9464 102 C 21.6384 37.2292 43.5755 -0.00105878 0.00360778 0.00179405 32
9465 103 C 22.5558 36.9169 44.7876 0.00182848 -0.00472256 0.00453566 32
9466 104 C 21.8359 36.8866 46.14 -0.000740883 0.000264661 -0.00214078 32
9467 105 C 22.6373 36.388 47.3329 0.00241429 0.00163466 0.000201689 32
9468 106 C 29.1342 41.0643 34.1793 -0.000787883 0.00114221 0.00226924 32
9469 107 C 28.7681 41.2323 35.6684 0.00489347 -0.00200168 -0.000108336 32
9470 108 C 29.4477 42.4837 36.3063 0.000371658 0.000897126 0.00167315 32
9471 109 C 29.0167 42.69 37.7642 -0.00421693 0.00209942 0.00313535 32
9472 110 C 29.8854 41.8928 38.7181 0.00153169 -0.00133226 0.00414944 32
9473 111 C 29.4146 41.7637 40.1707 0.00138885 0.00029311 -0.001539 32
9474 112 C 29.3309 43.0778 40.9539 -0.000768245 0.0025303 -0.00377132 32
9475 113 C 29.0861 42.893 42.4756 0.00934485 -0.00346832 -0.000974679 32
9476 114 C 30.2278 42.1333 43.2106 -0.00221074 -0.00285417 0.00224435 32
9477 115 C 30.3353 42.3249 44.7466 0.000574584 -0.000572518 0.000210131 32
9478 116 C 29.127 41.8068 45.5161 -0.00286496 -0.00363718 0.00164699 32
9479 117 C 29.2431 41.9445 47.0207 -0.00255803 -0.00456502 -0.00137429 32
9480 118 C 29.1056 33.6559 34.2239 0.00043393 0.00216441 -0.00161182 32
9481 119 C 28.818 33.5368 35.7619 0.0015476 -0.00169353 -0.00628644 32
9482 120 C 29.6652 32.4453 36.4352 -0.00107736 0.000674692 0.00141177 32
9483 121 C 29.4086 32.1548 37.9394 -0.00130425 -0.00214052 -0.00211098 32
9484 122 C 29.3108 33.4471 38.807 -0.00153962 -0.000811694 0.00267524 32
9485 123 C 29.1386 33.256 40.3051 0.00207319 -0.00681941 -0.00305104 32
9486 124 C 30.3371 32.6709 41.0335 0.00540348 0.00251823 0.00110767 32
9487 125 C 30.3894 33.0449 42.5282 -0.00227571 0.000294235 -0.000859385 32
9488 126 C 29.2256 32.4588 43.3312 0.00300045 0.00315878 0.00123765 32
9489 127 C 29.1268 33.0627 44.747 0.00361471 -0.00265581 0.00181005 32
9490 128 C 30.4461 33.1694 45.4901 -0.000308771 0.0023244 0.00136492 32
9491 129 C 30.2322 33.731 46.8873 -0.0006296 0.000274499 -0.00642839 32
9492 130 F 28.9312 39.6571 25.4022 -0.000845087 -0.00156404 -0.00156323 32
9493 131 H 29.9441 41.4458 31.8958 0.00552549 -0.00362441 0.0074281 32
9494 132 H 30.1734 41.3118 29.4622 -0.0011359 0.00759499 0.00356933 32
9495 133 H 29.187 39.4388 28.2729 9.96595e-05 -0.000138209 -0.00344994 32
9496 134 H 22.6539 37.1855 31.254 0.00187154 0.00713053 -0.000227348 32
9497 135 H 22.9864 37.1967 28.7383 0.00294684 -0.00942513 -0.00393573 32
9498 136 H 25.2496 37.223 27.8249 -0.0123181 -0.000965344 -0.00178835 32
9499 137 H 29.7194 33.0915 31.9902 -0.0159229 -0.00190388 0.0102739 32
9500 138 H 29.9032 33.1399 29.5792 -0.0131907 -0.0125284 0.00711254 32
9501 139 H 28.9623 34.9457 28.3148 0.010289 -0.00124826 0.00261764 32
9502 140 H 30.8515 35.147 23.5345 0.00575452 -0.000531248 0.00351258 32
9503 141 H 29.3876 35.1376 25.5416 0.0155521 0.00226063 0.00354156 32
9504 142 H 29.7135 33.715 18.4566 -0.00332723 0.00891234 0.0128849 32
9505 143 H 29.9501 34.1082 16.0321 -0.000971772 0.010183 -0.012106 32
9506 144 H 30.6659 35.177 20.1083 0.0010002 0.01121 0.00466486 32
9507 145 H 37.0859 37.4035 20.0805 0.00336208 -0.00303206 0.000585672 32
9508 146 H 37.4751 37.6341 17.5777 -0.0069848 4.9583e-05 -0.00689197 32
9509 147 H 34.8592 37.349 21.0465 -0.0136647 -0.0103175 -0.00128903 32
9510 148 H 30.4001 41.853 19.4726 0.000627438 0.00193372 -0.000361406 32
9511 149 H 30.6243 41.9863 16.9547 0.000130082 1.86053e-05 -0.00186649 32
9512 150 H 32.9849 37.9428 15.8131 0.00401706 0.0176519 0.00220126 32
9513 151 H 31.2652 39.9469 20.6943 -0.00256803 0.00497916 0.00182355 32
9514 152 H 27.2361 37.3118 33.0915 0.0091022 -0.000103509 0.00136461 32
9515 153 H 36.0662 35.6174 15.7825 -9.81162e-05 -0.00795758 -0.00986072 32
9516 154 H 34.4945 35.8052 15.1311 0.000550348 -0.00352615 -0.00803928 32
9517 155 H 36.4393 35.2921 13.4846 -0.0151121 -0.00377014 -0.00619927 32
9518 156 H 37.0498 36.8485 13.7875 0.00165609 -0.000791384 0.0117961 32
9519 157 H 35.1627 37.9527 12.593 0.00151786 0.000204903 0.0195616 32
9520 158 H 34.2849 36.3217 12.6598 -0.00255055 0.0048132 0.000119911 32
9521 159 H 35.8531 35.3393 11.1434 0.0045472 0.00151321 -0.0129982 32
9522 160 H 36.7979 36.7673 11.0095 0.0023924 -0.00846437 0.00117221 32
9523 161 H 34.8687 38.0535 10.1089 0.00382431 -0.00256884 -0.00435562 32
9524 162 H 33.8188 36.6007 10.1718 -0.00294838 -0.00221199 -0.00647215 32
9525 163 H 35.205 35.4216 8.62313 -0.00324723 -0.002937 -0.0055192 32
9526 164 H 36.2509 36.7901 8.31778 -0.00227398 0.00387827 0.00481332 32
9527 165 H 34.0286 38.0533 7.63106 -0.00949179 0.00137432 -0.014248 32
9528 166 H 33.3387 36.4007 7.71988 0.00393487 0.00132513 -0.00128406 32
9529 167 H 35.4001 35.9805 5.86504 -0.00251294 -0.00520462 0.0105541 32
9530 168 H 35.3394 37.7261 5.81196 -0.00825471 0.00869079 0.00347697 32
9531 169 H 32.6954 37.2372 5.70423 -0.00873543 0.00367397 -0.000896844 32
9532 170 H 33.2211 35.639 5.13863 0.0142201 -0.000318702 0.00561822 32
9533 171 H 34.3701 38.1079 3.76828 0.00529333 -0.00961631 -0.0113605 32
9534 172 H 32.7147 37.7612 3.46509 -0.00656452 -0.0154559 -0.00190972 32
9535 173 H 33.4636 35.3803 2.8272 0.0085086 -0.00524045 0.0249934 32
9536 174 H 35.1363 36.0177 2.77424 0.0033046 0.0114317 -0.00608489 32
9537 175 H 34.4225 37.6317 1.03006 0.010145 -0.00729897 0.00982603 32
9538 176 H 32.7278 37.0857 1.11553 -0.00166369 -0.00437297 0.0132323 32
9539 177 H 34.0103 35.9793 0.501993 -3.44815e-05 -0.00272213 0.00182373 32
9540 178 H 31.8978 34.4716 13.8559 -0.0125175 -0.0128479 0.00756597 32
9541 179 H 30.1452 34.9041 14.0174 0.00426675 -0.00814198 -0.00789417 32
9542 180 H 30.5082 36.9461 12.6486 0.000254695 0.00269197 -0.00190013 32
9543 181 H 32.227 36.805 12.8085 0.00182267 -0.00602784 -0.00988316 32
9544 182 H 31.7248 36.2182 10.6106 -0.00497422 -0.00259658 -0.00749596 32
9545 183 H 32.0561 34.6756 11.3531 0.00519116 0.00142048 -0.0033476 32
9546 184 H 29.4461 34.324 11.499 -0.00785408 0.0130656 0.006252 32
9547 185 H 29.278 35.9317 10.8547 0.00328779 0.00645019 0.01211 32
9548 186 H 30.7767 33.8875 9.14972 -0.00610064 6.44614e-06 -0.00683859 32
9549 187 H 29.0612 34.0614 9.10269 -0.00166743 0.00474052 0.000484548 32
9550 188 H 29.1358 36.3168 8.24561 0.009863 0.00514009 0.00600517 32
9551 189 H 30.807 36.553 8.78765 -0.00031889 0.00746316 -0.0035668 32
9552 190 H 30.727 36.3837 6.30877 0.00591245 -0.00791737 -0.00614472 32
9553 191 H 31.621 35.0461 6.96469 0.00474953 0.00122781 -0.0181927 32
9554 192 H 29.4635 33.7027 6.82334 0.00224584 0.0165156 0.0175704 32
9555 193 H 28.8235 34.9899 5.80333 -0.00714279 -0.00132346 0.0228017 32
9556 194 H 31.387 33.4168 5.2117 0.00378724 -0.00837336 -0.00517923 32
9557 195 H 29.829 33.0676 4.49246 -0.00273305 0.00574638 0.00764526 32
9558 196 H 31.1409 35.8214 4.05057 0.00840934 -0.00669697 0.00998172 32
9559 197 H 31.4108 34.3186 3.05778 -0.0118822 0.000706432 -0.00399686 32
9560 198 H 28.6821 35.5905 3.65881 -0.00657173 0.00732695 -0.0146484 32
9561 199 H 29.7445 36.0437 2.25596 0.00997426 0.00350082 0.00696818 32
9562 200 H 28.1025 34.5487 1.42517 -0.00341715 -0.0117806 -0.00121597 32
9563 201 H 29.6966 33.7166 1.40244 -0.0110906 -0.0101971 -0.00429935 32
9564 202 H 28.4613 33.3613 2.67069 -0.00284122 0.000250264 0.000658743 32
9565 203 H 32.1237 41.536 14.1561 -0.0117798 -0.0119807 -0.00411115 32
9566 204 H 33.4152 41.1348 15.3653 -0.00214684 -0.000925174 0.0067815 32
9567 205 H 34.0884 39.2172 14.1172 -0.00313129 -0.00614311 0.010985 32
9568 206 H 32.4758 38.8554 13.6148 0.00726677 -0.00463548 0.00221989 32
9569 207 H 33.6752 39.3789 11.7415 0.010747 -0.00417374 0.0161858 32
9570 208 H 32.4208 40.6548 12.0482 -0.00160322 0.00651598 0.00152147 32
9571 209 H 34.1439 42.1657 12.9775 0.011614 0.00122845 0.00331179 32
9572 210 H 35.4153 41.0635 12.4588 -0.00197441 0.00181973 0.00561812 32
9573 211 H 33.5785 42.7076 10.7649 -0.0046906 -0.00942417 0.00679614 32
9574 212 H 35.3362 42.7469 10.8284 0.0027463 -0.00368348 -0.000207271 32
9575 213 H 35.6869 40.8718 9.5239 0.00286052 -0.00681342 0.00495109 32
9576 214 H 33.9823 40.2807 9.66201 -0.0025797 0.00787347 0.00932469 32
9577 215 H 33.3673 42.4504 8.36254 7.91666e-05 -0.00179228 0.0101078 32
9578 216 H 35.1398 42.6773 8.22195 0.000322779 0.0014022 -0.00465087 32
9579 217 H 35.4238 40.4491 7.28964 0.00162475 0.0056171 -0.00146057 32
9580 218 H 33.7121 40.1895 7.30445 -2.37789e-05 -0.00187651 -0.00234224 32
9581 219 H 33.5333 42.4388 5.93482 0.00432196 0.00611871 0.0051712 32
9582 220 H 35.3021 42.3294 5.65218 0.00485851 0.00054571 0.00588512 32
9583 221 H 35.0165 40.0721 4.67287 -0.00506509 -0.00450558 0.0073354 32
9584 222 H 33.2654 40.2583 4.82372 0.00659787 -0.00640566 -0.0143969 32
9585 223 H 33.6153 42.4838 3.39982 -0.000954395 0.00144317 -0.0035944 32
9586 224 H 35.2107 41.8329 3.06703 0.00217546 -0.00999726 -0.000108723 32
9587 225 H 34.1355 39.7417 2.0209 -0.00705439 -0.00170518 0.0022549 32
9588 226 H 32.5079 40.3729 2.38807 0.00462154 -0.00800879 0.0132363 32
9589 227 H 33.5968 41.1624 1.19903 0.0201346 0.0126702 0.00594807 32
9590 228 H 22.7227 38.5401 33.4724 -0.0234977 -0.00994663 -0.0133868 32
9591 229 H 22.4354 36.8004 33.1852 -0.0125918 0.00175554 0.00469921 32
9592 230 H 23.6756 36.3075 35.3755 -0.00628691 -0.00397732 -0.0320984 32
9593 231 H 23.7533 38.0183 35.6532 0.00572784 -0.0031617 0.00110872 32
9594 232 H 21.1808 38.0913 35.8575 0.00536132 -0.00147712 -0.00182691 32
9595 233 H 21.1009 36.4385 35.5427 0.000270895 -0.0141002 0.0200417 32
9596 234 H 21.3011 36.11 37.7828 -0.0116043 0.0132335 -0.00297847 32
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9611 249 H 21.0011 36.186 46.0143 0.00138846 -0.00235889 -0.00165398 32
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9614 252 H 23.0561 35.3928 47.1394 -0.00030388 -0.00258409 0.0159701 32
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9625 263 H 28.4603 41.2229 40.1536 0.00767372 -0.0113471 0.0163505 32
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9627 265 H 30.2898 43.5936 40.8197 -0.00526664 0.0130499 0.00449817 32
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9630 268 H 28.189 42.265 42.5399 0.00647223 -0.000548178 -0.0123144 32
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9663 301 H 29.3886 34.4321 46.8763 0.00735346 0.0100292 0.0053273 32
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9666 2 C 33.3543 33.8228 29.9101 -0.00208086 0.00136229 -6.73481e-05 33
9667 3 C 32.7969 32.76 29.2267 0.00218455 0.000760926 0.00118032 33
9668 4 C 32.1401 31.7408 29.9255 -0.000187708 0.000593895 0.00329309 33
9669 5 C 32.013 31.8038 31.3254 -0.00172537 -0.00505169 0.00139194 33
9670 6 C 32.4866 32.9805 32.0366 0.0032935 -0.00111683 -0.000575957 33
9671 7 C 27.4749 30.4638 30.5718 0.00264052 -0.00168969 -0.00117421 33
9672 8 C 27.7059 30.4481 29.2027 -0.000900977 -0.00493518 -0.000281886 33
9673 9 C 28.9968 30.4779 28.7079 0.000697314 0.00249612 -0.000550768 33
9674 10 C 30.0462 30.5295 29.6022 -0.00258603 -0.00384748 -0.0023703 33
9675 11 C 29.8775 30.6198 31.0215 -0.00182941 -0.00252934 -0.00147079 33
9676 12 C 28.5289 30.5862 31.4937 5.54949e-05 -0.00237552 0.00361955 33
9677 13 C 32.9825 27.0869 31.3543 0.00155804 -0.0020563 1.67714e-05 33
9678 14 C 33.1799 27.1097 29.97 0.00219432 -0.00208045 -0.000778484 33
9679 15 C 32.7061 28.193 29.2083 0.000529508 0.000581418 -0.00050189 33
9680 16 C 32.0662 29.2775 29.882 -0.00105217 0.0011706 0.00300985 33
9681 17 C 31.5055 30.5317 29.1966 0.00561796 -0.00131882 -0.000699164 33
9682 18 O 32.2748 28.1805 33.4083 -0.00141557 0.00084157 -0.00141997 33
9683 19 O 28.2281 30.7078 32.7982 -0.00105892 -0.00153032 -0.000113833 33
9684 20 O 32.2503 33.2058 33.4121 0.00242831 -0.00070678 -0.000313823 33
9685 21 C 32.3789 28.1683 32.0307 -0.00327312 -0.000542987 0.00208128 33
9686 22 C 31.8632 30.5143 27.7841 0.00230826 0.00134949 0.00346967 33
9687 23 C 32.3664 30.5256 26.6832 -0.00306355 0.000890368 -0.000279638 33
9688 24 C 33.1382 30.5765 25.4731 0.00136169 0.000757085 0.00205478 33
9689 25 C 32.9068 31.6082 24.5313 -0.00270613 -0.0034688 -0.000201824 33
9690 26 C 33.7463 31.7071 23.4229 -0.00516304 0.000883563 -0.000133213 33
9691 27 C 34.8283 30.8104 23.2884 0.00294106 0.00113911 1.77663e-05 33
9692 28 C 35.0319 29.78 24.2116 -0.00406585 0.000955921 -0.00178782 33
9693 29 C 34.1729 29.6517 25.3152 0.00169925 0.00325703 -0.000845259 33
9694 30 C 35.6058 30.8167 22.1167 -0.00473749 -0.0022729 0.0015967 33
9695 31 C 36.0698 30.7777 20.9899 -0.00199492 -0.00123194 -0.00269415 33
9696 32 C 34.963 27.3088 18.7647 0.0064106 -0.00214696 -0.00205879 33
9697 33 C 35.119 27.3503 17.3818 -0.00140072 0.00109113 0.00277825 33
9698 34 C 35.6605 28.4732 16.7283 -0.00424399 0.000565052 0.00114223 33
9699 35 C 35.9896 29.5758 17.488 -0.000330475 -0.00449796 0.00165384 33
9700 36 C 35.8509 29.5499 18.8855 0.00208332 -0.000560907 -0.000810416 33
9701 37 C 35.2967 28.4308 19.5193 0.00471006 -0.000423882 -0.000977991 33
9702 38 C 36.4061 30.7859 19.574 0.00320487 0.00287077 0.00111946 33
9703 39 C 40.2595 30.6715 19.3098 0.00162667 0.00260576 0.0029148 33
9704 40 C 40.3532 30.7308 17.903 -0.00366489 0.00374701 -0.00189265 33
9705 41 C 39.2497 30.9273 17.0726 -0.0029711 0.00394446 0.00140264 33
9706 42 C 38.0068 30.898 17.6859 0.000315657 0.00381038 0.00508498 33
9707 43 C 37.829 30.8574 19.1144 0.00280363 -0.0018256 -0.000804272 33
9708 44 C 38.9907 30.8178 19.9183 -0.00103011 0.00615652 -0.00241493 33
9709 45 C 34.4707 34.0841 18.702 -0.00218845 -0.00316848 0.00126543 33
9710 46 C 34.5128 34.0035 17.3059 0.00095961 -0.00228977 -0.000960585 33
9711 47 C 35.2744 33.0102 16.6555 0.000761713 0.0017992 -0.00253967 33
9712 48 C 35.8385 31.9852 17.4352 -0.00153232 0.000191408 0.00252106 33
9713 49 C 36.6721 30.8313 16.9193 0.00158856 -0.00283415 0.00181313 33
9714 50 C 35.7325 31.9877 18.839 0.000313289 -0.000878395 0.0030319 33
9715 51 C 35.131 33.0943 19.4809 0.00183031 -0.0027696 -0.00137877 33
9716 52 O 39.3144 31.0559 15.6976 0.00430332 -0.00116731 -0.000379664 33
9717 53 O 36.0333 28.4118 15.4059 -0.00163833 -0.000612899 0.00343969 33
9718 54 O 35.4187 33.0437 15.3054 -0.000404223 -0.00231651 0.00363286 33
9719 55 C 31.1956 30.5677 31.8447 0.00111885 -0.000724925 0.00267863 33
9720 56 C 31.9338 29.281 31.2939 0.000287963 -0.00156431 -0.00160085 33
9721 57 C 39.5144 29.9468 14.8724 -0.000132148 0.000190004 -0.000640668 33
9722 58 C 39.1974 30.4452 13.4512 0.000158199 -0.00203635 -0.00121615 33
9723 59 C 37.6932 30.7123 13.177 -0.00103837 -0.00158192 -0.00201477 33
9724 60 C 37.2098 30.728 11.7268 0.000932885 -0.00258888 -0.00195639 33
9725 61 C 38.0946 30.22 10.6122 -0.00223954 0.00020896 -0.00424187 33
9726 62 C 37.4347 30.545 9.25392 -0.000499623 0.0010164 -0.00251862 33
9727 63 C 38.3175 30.0593 8.04512 0.000850163 0.00175694 -0.00141596 33
9728 64 C 37.6653 30.4695 6.69819 0.00194731 -0.000496637 0.00232443 33
9729 65 C 38.595 30.1069 5.54509 0.000564927 0.00208996 0.00278505 33
9730 66 C 37.979 30.3859 4.15373 0.000632429 0.00237413 0.00115316 33
9731 67 C 38.844 29.9657 2.94659 -0.000219614 0.000954567 0.00249719 33
9732 68 C 38.2249 30.4731 1.63288 -0.000505157 0.000225777 -0.00113824 33
9733 69 F 33.4568 32.6741 22.5169 0.000224111 -0.00219795 0.00357749 33
9734 70 C 36.2761 27.1022 14.8288 0.00114797 0.000373871 0.00280754 33
9735 71 C 36.8745 27.2275 13.4223 0.00269128 -0.0013648 0.000817232 33
9736 72 C 37.3964 25.8561 12.9133 -0.000330119 0.00550533 0.00199005 33
9737 73 C 37.8175 25.9381 11.4512 0.0012149 -0.00160476 0.000801751 33
9738 74 C 38.3827 24.5897 10.9522 0.00313444 -0.00117755 0.0034264 33
9739 75 C 39.2137 24.7105 9.64211 -0.00184741 0.0014763 0.00177586 33
9740 76 C 38.4024 24.8358 8.3461 -0.00361698 -0.00231271 0.001315 33
9741 77 C 38.0937 26.2981 8.00826 -0.000478249 -0.00171369 -0.00162066 33
9742 78 C 37.5328 26.4995 6.58595 -0.00318783 -0.00248691 0.000559386 33
9743 79 C 38.5304 26.0931 5.50686 -0.00108061 -0.00121396 0.00371353 33
9744 80 C 37.9498 26.2788 4.08389 -0.00350268 -0.00151952 -0.00174346 33
9745 81 C 38.9041 25.9058 2.92296 0.00440761 0.00184725 0.000434494 33
9746 82 C 34.4052 32.491 14.4252 0.00161811 -0.00140158 0.00141321 33
9747 83 C 34.7491 33.1733 13.0816 -0.0044039 -0.00115964 -0.00548138 33
9748 84 C 33.9958 32.4839 11.948 -0.000275524 -0.000359265 -0.000270226 33
9749 85 C 34.3908 32.997 10.5271 0.000320132 0.00026167 -0.00326358 33
9750 86 C 33.4983 32.3224 9.45999 -0.000362343 0.000114456 0.00110481 33
9751 87 C 33.2495 33.2282 8.22524 -0.00376782 0.00153715 -0.00100842 33
9752 88 C 34.2841 33.1123 7.09497 0.00304739 -0.000432649 -6.89338e-05 33
9753 89 C 34.1203 31.8385 6.26026 -0.00261237 0.00375415 -0.000309401 33
9754 90 C 34.8631 31.8108 4.87656 -0.00125114 0.00135868 -0.00204182 33
9755 91 C 34.2759 32.8969 3.89574 0.000926782 -0.00332528 0.00213713 33
9756 92 C 33.7002 32.3731 2.56956 -0.00229731 -0.00226063 0.000659822 33
9757 93 C 34.8636 32.1874 1.53419 0.00152907 0.000754538 0.000794717 33
9758 94 C 26.9258 30.4128 33.3961 0.00486815 -0.000977305 0.00401349 33
9759 95 C 26.8314 30.785 34.8672 -0.00224968 0.00166061 0.000671366 33
9760 96 C 25.5249 30.4459 35.601 0.00240598 0.000283969 -0.00252436 33
9761 97 C 25.5902 30.9135 37.0686 3.76285e-05 0.001756 0.00473178 33
9762 98 C 25.6751 29.8357 38.1496 0.000910297 0.00208969 0.00374863 33
9763 99 C 26.143 30.5581 39.5 0.000518359 -0.00283243 -0.000858772 33
9764 100 C 25.6346 29.8964 40.7897 0.0035488 0.00453389 -0.000556664 33
9765 101 C 26.3073 30.4147 42.0587 -3.17134e-05 0.000862266 -0.00237315 33
9766 102 C 25.7231 29.6982 43.3023 0.000418236 -0.00299382 -0.00354734 33
9767 103 C 26.3899 29.9895 44.6682 -0.00216145 -0.00192938 0.000556319 33
9768 104 C 25.5903 30.9286 45.5668 -0.00157203 -0.00267739 -0.00121157 33
9769 105 C 26.1404 31.0035 47.0015 -0.00563737 -0.00346224 -0.000639168 33
9770 106 C 33.094 34.2238 34.0762 0.0048267 0.00353386 -0.00388284 33
9771 107 C 32.7585 34.499 35.5579 0.00456957 -0.00478489 -0.00244116 33
9772 108 C 33.6831 35.6276 36.1223 -0.00120012 -0.00327083 -0.000674808 33
9773 109 C 33.4823 36.1801 37.5855 0.00160855 0.00264038 0.00169862 33
9774 110 C 33.2976 35.1555 38.7235 -0.00133477 0.000248152 0.00450423 33
9775 111 C 33.6856 35.763 40.0578 0.00199182 -0.00256101 -0.000911002 33
9776 112 C 33.3325 34.9669 41.3271 0.00183549 -0.0027017 0.00300419 33
9777 113 C 34.1556 35.4195 42.5491 0.00137603 0.00451688 -0.000840093 33
9778 114 C 33.621 34.9982 43.8918 -0.00164748 -0.00125738 -0.00213035 33
9779 115 C 34.4145 35.7096 44.998 0.00384061 -0.00132479 0.0017072 33
9780 116 C 33.7465 35.6539 46.3948 0.00102107 -0.00130357 -0.00250345 33
9781 117 C 33.7134 34.3063 47.061 -0.00019782 0.00275294 -0.00277423 33
9782 118 C 32.3971 26.9425 34.2158 0.00157649 0.0021986 -0.000221094 33
9783 119 C 32.8716 27.3265 35.6148 0.000638051 0.00221553 -0.00247795 33
9784 120 C 33.1011 26.141 36.5656 0.00196543 0.000821632 -0.00269249 33
9785 121 C 33.8461 26.5468 37.8455 0.000899346 2.98026e-05 -0.00108931 33
9786 122 C 33.5779 25.5124 38.9751 -0.00105758 -0.0017336 -0.00134831 33
9787 123 C 34.0899 26.0648 40.3633 -0.00357509 -0.000323206 0.00162088 33
9788 124 C 33.4106 25.3519 41.5754 0.000373712 0.0006868 0.0021094 33
9789 125 C 33.9089 25.8592 42.9525 -0.0029124 -0.000331733 0.00466057 33
9790 126 C 33.0239 25.2884 44.0913 -0.00134771 -0.00335653 -0.0052366 33
9791 127 C 33.6355 25.3456 45.5 -0.0010123 -0.00427376 -0.00129314 33
9792 128 C 33.5955 26.7124 46.1025 0.00302328 -0.00262187 -0.00256475 33
9793 129 C 34.5246 26.8 47.3343 -0.000582098 -0.00124433 0.00294694 33
9794 130 F 31.947 32.5316 24.7435 -0.00404952 -0.00441198 0.000623804 33
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9797 133 H 32.9423 32.7882 28.1509 0.00870027 -0.0220143 0.00149004 33
9798 134 H 26.458 30.5224 30.9485 0.00578682 0.014054 0.00498529 33
9799 135 H 26.8362 30.3801 28.5559 0.00423322 0.00654682 -0.00835026 33
9800 136 H 29.1425 30.4549 27.632 -0.0134913 0.000104263 -0.00243653 33
9801 137 H 33.321 26.2414 31.9458 0.00875083 -0.00464615 -0.00786076 33
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9805 141 H 34.3139 28.8734 26.0594 -0.0147839 0.00931189 0.00862711 33
9806 142 H 34.5325 26.4433 19.2597 0.0115707 0.00416951 0.0134864 33
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9808 144 H 35.1709 28.4137 20.5979 -0.00078374 -0.00337329 -0.0016706 33
9809 145 H 41.1515 30.491 19.9023 0.00132587 0.0128028 0.00646258 33
9810 146 H 41.3077 30.6186 17.3974 -0.00492749 0.00440635 -0.00443004 33
9811 147 H 38.8881 30.7062 20.9937 -0.000317304 0.00560319 -0.00240411 33
9812 148 H 33.86 34.8471 19.1757 -0.00010144 -0.00146018 0.00120098 33
9813 149 H 33.9508 34.7473 16.7488 0.00695719 0.00506726 0.00280408 33
9814 150 H 36.7907 30.8382 15.8288 -0.00303966 -0.0013948 0.00132134 33
9815 151 H 35.0148 33.1452 20.5595 -0.00146152 -0.00602619 -0.00157528 33
9816 152 H 31.0633 30.6157 32.9326 0.00823435 0.0105304 0.00306648 33
9817 153 H 40.5752 29.6763 14.9424 0.00191637 0.00471836 -0.0140539 33
9818 154 H 38.8807 29.0786 15.0912 -0.00458158 0.00515755 0.00611152 33
9819 155 H 39.6054 29.7488 12.7082 0.00209952 -0.00555425 0.00315352 33
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9823 159 H 36.8736 31.7436 11.4839 0.00849373 0.00384756 0.0145477 33
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9906 242 H 27.3838 30.2426 41.9365 0.00163503 0.0074277 0.00311601 33
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9913 249 H 24.5535 30.5821 45.6581 -0.00657674 0.009884 -0.0104588 33
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9916 252 H 26.0955 30.0157 47.4766 -0.00366264 -2.83011e-05 0.00666396 33
9917 253 H 34.133 33.8828 33.9893 0.00516928 0.000423276 0.0124299 33
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9920 256 H 32.8614 33.6159 36.2005 0.00139705 0.00389054 0.0100244 33
9921 257 H 34.7265 35.2934 36.0683 0.00316941 0.0103089 -0.000114482 33
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9923 259 H 34.3614 36.7972 37.8088 0.00557991 -0.000669516 -0.00471361 33
9924 260 H 32.6164 36.8525 37.5471 -0.0052116 -0.00502084 0.0216601 33
9925 261 H 32.2508 34.8276 38.7171 -0.000405586 -0.0027937 0.00949066 33
9926 262 H 33.9529 34.2948 38.5418 0.00375489 0.0064206 -0.00641209 33
9927 263 H 34.7771 35.8124 39.9593 0.00214506 0.00152127 0.00301422 33
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9930 266 H 33.5204 33.8982 41.1658 -0.0190531 -0.00681865 0.00579662 33
9931 267 H 35.1623 34.9903 42.4735 -0.00653829 -0.0122857 -0.0110263 33
9932 268 H 34.2519 36.5121 42.532 0.00432078 0.00415433 -0.00748859 33
9933 269 H 32.5489 35.2208 43.9582 -0.00449939 -0.0105669 -0.0167728 33
9934 270 H 33.708 33.9077 43.9744 0.000124105 0.00028226 0.0162623 33
9935 271 H 35.4389 35.3173 45.0022 0.00333997 -0.0025776 0.00579891 33
9936 272 H 34.52 36.779 44.7772 0.000748882 -0.000520518 0.00411302 33
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9939 275 H 33.179 33.5453 46.4791 -0.00371789 0.00481292 -0.00223323 33
9940 276 H 34.7278 33.9652 47.3021 0.00380431 0.00724502 -0.0132795 33
9941 277 H 33.2274 34.4777 48.0295 -0.00626215 -0.00678977 -0.00415224 33
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9943 279 H 33.21 26.2953 33.864 0.00712358 0.00839316 0.00115902 33
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9945 281 H 33.8357 27.8379 35.5041 0.00805218 -0.00934434 0.00850515 33
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9947 283 H 32.1033 25.7756 36.8379 -0.00293287 0.0109179 -0.00707517 33
9948 284 H 33.4722 27.499 38.2417 -0.000853863 -0.00401579 0.00705453 33
9949 285 H 34.931 26.5699 37.6846 0.000697806 0.00249768 -0.00206264 33
9950 286 H 34.0339 24.5407 38.7486 0.0113765 0.00877781 -0.0214241 33
9951 287 H 32.4871 25.4095 39.0294 -0.00272035 0.00828514 -0.0152805 33
9952 288 H 33.8281 27.1231 40.4852 0.00124069 3.04281e-05 0.00895791 33
9953 289 H 35.1836 26.0109 40.4297 -0.00375422 -0.00260738 0.00270288 33
9954 290 H 33.678 24.2883 41.5479 -0.00650496 -0.00103737 0.00218903 33
9955 291 H 32.3168 25.4223 41.5286 0.00147371 0.0165774 0.000632459 33
9956 292 H 33.7496 26.9444 42.935 0.0135362 0.0021854 0.0143042 33
9957 293 H 34.968 25.5869 43.0396 -0.00323208 -0.00858298 -0.016664 33
9958 294 H 32.9177 24.2234 43.8503 -0.00738346 -0.00280184 -0.00502682 33
9959 295 H 32.0147 25.7174 44.0592 -0.00118424 -0.00206953 0.00714205 33
9960 296 H 34.6636 24.9748 45.4052 0.00347828 0.00622992 0.00655177 33
9961 297 H 33.0664 24.7046 46.1845 -0.0105626 0.0113966 0.00547484 33
9962 298 H 32.5383 26.901 46.3263 0.00382803 -0.021821 0.0171079 33
9963 299 H 33.8146 27.4599 45.3301 0.00811798 0.00197816 0.00335596 33
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9965 301 H 35.5706 26.6779 47.0271 -0.00265428 2.39415e-06 -0.00461691 33
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9968 2 C 37.2557 40.6009 29.1694 0.00170532 0.000751976 -0.00209678 34
9969 3 C 36.7974 39.4914 28.4665 0.00262046 0.00030026 0.00389661 34
9970 4 C 36.1823 38.4647 29.1961 0.000587458 -6.22203e-05 -0.00162317 34
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9972 6 C 36.4234 39.7079 31.2921 -0.00420871 -0.00305455 0.00134923 34
9973 7 C 31.522 37.1131 29.987 0.00207345 0.00104587 0.00627572 34
9974 8 C 31.729 37.0656 28.5837 0.0024483 0.00221789 -0.000622381 34
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9978 12 C 32.6016 37.2606 30.9006 -0.0029443 0.00100328 -0.000468414 34
9979 13 C 37.1888 33.9163 30.8785 0.000784537 -0.000776638 -0.00209348 34
9980 14 C 37.3959 33.9091 29.501 0.00122731 0.00140598 -0.00814651 34
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9982 16 C 36.1951 36.0038 29.333 -0.00239548 -0.00549304 0.00332762 34
9983 17 C 35.6112 37.2019 28.5815 -0.00210819 -0.00226483 -0.00335664 34
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9986 20 O 36.3211 39.8148 32.6691 0.000678867 0.00184265 0.00244948 34
9987 21 C 36.5218 34.9617 31.5775 0.000687073 0.00162093 0.00370025 34
9988 22 C 35.9139 37.1419 27.1816 -0.00370258 -0.000225501 0.00033496 34
9989 23 C 36.4087 37.1553 26.0893 0.00272622 -0.00323978 -0.000636416 34
9990 24 C 37.1923 37.2867 24.9032 0.00231309 -0.00163774 -0.000305367 34
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9992 26 C 38.9456 36.3851 23.5086 -0.00695664 0.000172169 0.00292589 34
9993 27 C 38.8787 37.473 22.6309 7.70135e-05 0.00236334 -0.00452467 34
9994 28 C 37.9506 38.484 22.8826 0.00176957 0.00345028 -0.00149318 34
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9996 30 C 39.5942 37.5596 21.4061 0.00102442 0.00251596 5.11858e-06 34
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10001 35 C 39.7111 36.3585 16.7267 -0.000424753 0.00243301 -0.00141878 34
10002 36 C 39.6134 36.3512 18.1347 -0.00112476 -0.000169238 0.00227494 34
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10006 40 C 44.3133 37.2071 17.2506 0.00603125 0.00272232 0.00203119 34
10007 41 C 43.214 37.1166 16.3908 -0.0020362 -0.00389782 -0.000826769 34
10008 42 C 41.9319 37.2827 16.9488 -0.00251834 -0.00200939 0.00272261 34
10009 43 C 41.7902 37.3899 18.361 -0.00112534 0.00233164 -0.000721186 34
10010 44 C 42.9007 37.427 19.198 -0.000706792 0.00530757 0.00125316 34
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10012 46 C 40.1094 41.1877 16.596 -0.00262154 0.00206749 -0.00199532 34
10013 47 C 40.4213 39.9905 15.9666 0.000375211 0.00506578 -0.00484693 34
10014 48 C 40.1659 38.8006 16.7085 0.00179106 -0.00770768 -0.00200839 34
10015 49 C 40.6317 37.4387 16.2078 0.000627163 -0.00323163 0.000195128 34
10016 50 C 39.9015 38.8227 18.1096 0.00390191 0.00185337 0.00313709 34
10017 51 C 39.5796 40.0438 18.7583 0.00449275 -0.00159708 -0.00263331 34
10018 52 O 43.4746 37.0202 15.0415 0.00408155 -0.00209342 0.00389911 34
10019 53 O 39.1625 35.4793 14.5204 -0.00124234 0.00325194 0.00346441 34
10020 54 O 40.9553 39.9372 14.6463 0.00198875 -0.00155339 0.00309568 34
10021 55 C 35.2483 37.2857 31.192 -7.2763e-05 -5.41619e-05 -0.00299391 34
10022 56 C 36.0191 36.0099 30.7464 -0.00162089 0.00103506 -0.000363735 34
10023 57 C 42.8073 36.0557 14.2045 0.000848021 -0.00210283 0.00391287 34
10024 58 C 42.0617 36.8126 13.0543 0.00493902 -0.00126144 0.00357805 34
10025 59 C 42.5969 36.536 11.6691 -0.00385248 0.000297983 -0.00201051 34
10026 60 C 41.8709 37.3426 10.5282 0.00489496 -0.000898071 0.000272316 34
10027 61 C 42.4804 37.2637 9.13435 0.00304974 -0.00200129 0.000523339 34
10028 62 C 41.6621 38.0816 8.13537 -0.00334699 0.000574342 -0.000491532 34
10029 63 C 42.2774 38.1085 6.71356 -0.00160189 -0.0014667 0.000288544 34
10030 64 C 41.6449 37.0659 5.7264 -0.00124765 0.00185244 -0.00394317 34
10031 65 C 42.3882 37.009 4.38327 0.0018648 0.00269594 -0.000205689 34
10032 66 C 42.1374 38.2192 3.44988 -0.00580623 -0.000213481 0.00111477 34
10033 67 C 42.6809 37.9853 2.04047 0.00154746 0.00414576 0.00331462 34
10034 68 C 41.8368 37.0024 1.19914 0.00098944 0.0047225 -0.00118467 34
10035 69 F 39.7288 35.342 23.1802 -0.00234466 0.00440468 -0.00142571 34
10036 70 C 38.9435 34.315 13.7796 -1.67224e-05 0.000218442 -0.00587869 34
10037 71 C 39.2272 34.722 12.3406 0.00306942 -0.00671166 -0.00173953 34
10038 72 C 38.7692 33.6451 11.3695 -0.00300282 -0.00343986 -0.000268693 34
10039 73 C 39.3647 33.8359 9.96721 -0.00196428 -0.00449355 0.0034093 34
10040 74 C 38.6836 34.9099 9.06948 -0.000175681 -0.00365302 -0.0029452 34
10041 75 C 38.1496 34.334 7.76907 0.000798794 -0.000404617 0.00184534 34
10042 76 C 38.3464 35.2082 6.52533 -0.00396137 -0.00131774 0.00155337 34
10043 77 C 37.9843 34.4178 5.24147 0.00356382 -0.00104649 -0.0037895 34
10044 78 C 38.2711 35.1869 3.9257 -0.00364514 -0.00596287 -0.0011716 34
10045 79 C 38.1656 34.2673 2.72056 -0.00189937 0.00223177 -0.000562657 34
10046 80 C 38.3449 35.0215 1.38813 -0.00344902 -0.00140259 -0.00515706 34
10047 81 C 38.2653 34.0075 0.212565 -0.00103021 0.000772117 0.000302135 34
10048 82 C 41.2332 41.1075 13.8601 -0.00227532 -0.00093662 0.000613044 34
10049 83 C 41.6602 40.7185 12.4175 0.000473871 0.00219471 0.00251081 34
10050 84 C 42.2148 41.8841 11.6291 -0.00155743 0.00150213 0.0024622 34
10051 85 C 42.2068 41.55 10.0986 -0.00283 0.00601375 -0.000236238 34
10052 86 C 43.2277 42.3592 9.27013 -0.00287243 -0.00410812 -0.00103802 34
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10155 189 H 37.0629 34.2014 7.83865 0.000381725 0.00577769 0.00695173 34
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10161 195 H 39.2618 35.6483 4.02096 -0.00976824 0.00439259 0.0128167 34
10162 196 H 38.8507 33.4188 2.83846 0.00383813 0.0091154 0.0156575 34
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10171 205 H 42.4068 39.9193 12.503 0.00611707 0.0076007 0.00388188 34
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10251 285 H 38.4173 32.1842 37.9473 0.0021956 0.000648119 -0.00131967 34
10252 286 H 35.955 32.6213 38.3466 0.00396568 -0.0035395 -0.00354518 34
10253 287 H 36.2603 34.2983 37.9957 -0.00543553 0.000250493 0.0076979 34
10254 288 H 36.5394 34.3984 40.3381 0.0019216 0.000793863 0.00506866 34
10255 289 H 38.2059 33.9573 39.9071 -0.00243527 0.00370398 0.0223998 34
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10257 291 H 35.8961 32.0785 40.8223 0.00421605 -0.00458144 0.00727007 34
10258 292 H 38.6755 32.6666 42.0498 0.00383044 -0.00977615 0.00503464 34
10259 293 H 37.6299 31.2491 42.3871 -0.00803352 -0.00111771 0.00714018 34
10260 294 H 35.9451 32.9255 43.2731 0.00117918 -0.00418322 -0.000357347 34
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10262 296 H 38.829 32.9726 44.3769 0.000116542 -0.00817733 0.0186698 34
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10269 1 C 41.0103 33.7529 31.1251 -0.00322755 0.00319501 0.00272321 35
10270 2 C 41.1383 33.6444 29.7513 -0.00468345 0.00163858 -0.000417438 35
10271 3 C 40.5717 32.539 29.112 0.00299178 0.0023134 0.00481617 35
10272 4 C 39.8943 31.5414 29.8948 -0.000756966 0.00154491 -0.000426778 35
10273 5 C 39.7753 31.6586 31.2974 -0.000752415 -0.000600827 -0.00203835 35
10274 6 C 40.2788 32.8116 31.9305 0.0037256 -0.00321533 0.00396317 35
10275 7 C 35.2434 30.4335 30.7273 0.00229569 -0.00350724 -0.0051974 35
10276 8 C 35.3909 30.4208 29.3366 0.0039667 0.00517298 -0.00106859 35
10277 9 C 36.668 30.3845 28.8317 -0.00534296 4.95141e-05 -0.0021176 35
10278 10 C 37.7712 30.3525 29.705 -0.00149474 0.00114491 -0.000156047 35
10279 11 C 37.6129 30.4694 31.1068 -0.00627365 -0.00233252 0.00182225 35
10280 12 C 36.2904 30.5151 31.6483 0.00252491 0.00281587 0.000281483 35
10281 13 C 40.8624 27.0432 31.617 -0.000955266 -0.00124422 -0.00216467 35
10282 14 C 40.9989 27.003 30.2409 0.00241302 -0.00239197 0.000407699 35
10283 15 C 40.4896 28.006 29.4547 9.60409e-05 -0.00298956 0.00270575 35
10284 16 C 39.8059 29.0803 30.0369 0.00255845 0.00151854 0.00404578 35
10285 17 C 39.2265 30.2847 29.2843 -0.00160022 -0.00218301 -0.00175949 35
10286 18 O 40.1476 28.1048 33.6866 0.000829429 -0.000710313 0.00221095 35
10287 19 O 35.9714 30.5899 33.0253 -0.00350289 -0.00294792 -0.000930318 35
10288 20 O 40.3018 32.9851 33.3479 -0.00153242 -0.00022014 0.0034935 35
10289 21 C 40.1985 28.1192 32.2921 0.00170617 -0.00388334 -0.00507393 35
10290 22 C 39.4543 30.1809 27.8525 0.00213939 0.000126869 0.000732397 35
10291 23 C 39.9293 30.2028 26.7468 0.000232494 -0.000120427 0.00538144 35
10292 24 C 40.657 30.2648 25.509 0.00405129 0.000537595 -0.00157299 35
10293 25 C 40.423 31.2933 24.5579 0.00278357 0.00150643 0.00315975 35
10294 26 C 41.2786 31.4706 23.4688 0.00124529 -0.00190185 0.000776421 35
10295 27 C 42.3933 30.6066 23.2913 -0.00211076 -0.00218708 -0.00244222 35
10296 28 C 42.6372 29.6082 24.279 0.00112293 0.00360821 -0.00309252 35
10297 29 C 41.7742 29.4241 25.3511 0.000650186 -0.00113765 0.00191562 35
10298 30 C 43.247 30.6795 22.1371 -0.00397819 -0.00374607 0.00132769 35
10299 31 C 43.7767 30.6624 21.0305 0.00268848 -0.000772335 0.00532026 35
10300 32 C 42.5327 27.2405 18.723 0.00109396 -0.00116634 0.00382411 35
10301 33 C 42.6886 27.2805 17.3549 0.00550486 0.0040363 -0.00589151 35
10302 34 C 43.2855 28.3712 16.7017 -0.00120445 -0.000990945 -0.0021516 35
10303 35 C 43.6653 29.46 17.5024 -0.00360485 0.00269649 -0.00247895 35
10304 36 C 43.5529 29.4218 18.8888 -0.00408297 -0.00146176 0.00459413 35
10305 37 C 42.9589 28.2903 19.5029 -0.000814376 -0.00226709 -0.00147755 35
10306 38 C 44.0963 30.6495 19.5992 -0.000775615 0.000358731 0.000293464 35
10307 39 C 47.9615 30.9261 19.2954 -0.000583924 8.76203e-06 0.00348677 35
10308 40 C 48.0373 31.0983 17.8681 -0.00205456 -0.00178644 -0.000859102 35
10309 41 C 46.8933 31.1148 17.1091 0.00288089 -0.000230848 -0.00455898 35
10310 42 C 45.6756 30.8414 17.7168 0.0028303 -1.75918e-05 0.00439098 35
10311 43 C 45.5637 30.6904 19.1395 -0.00108056 -0.00314788 -0.0033246 35
10312 44 C 46.7166 30.7587 19.9081 0.00227388 -0.00330786 -0.00145362 35
10313 45 C 42.1684 33.9226 18.7922 0.000167406 -0.00271168 7.33799e-05 35
10314 46 C 42.3338 33.9457 17.4012 -0.000875726 -0.0013557 -0.00330244 35
10315 47 C 43.1025 32.9571 16.7596 0.00348423 0.00284941 0.00288644 35
10316 48 C 43.5525 31.8926 17.5116 -0.00189345 0.000458192 -0.00178191 35
10317 49 C 44.3474 30.7318 16.9473 0.00122307 -0.00161833 -0.000784662 35
10318 50 C 43.3766 31.8225 18.9105 -0.00322788 0.00504581 9.98058e-05 35
10319 51 C 42.6972 32.8872 19.5553 0.00125579 0.00161188 0.00143195 35
10320 52 O 46.9137 31.5209 15.78 0.00188818 -0.00188162 -0.00318804 35
10321 53 O 43.4583 28.4178 15.3019 -0.000633299 -0.00016509 -0.000985518 35
10322 54 O 43.2478 32.9699 15.4008 5.69956e-05 0.00173932 5.59183e-05 35
10323 55 C 38.9646 30.5009 31.9061 -7.95914e-05 -0.00477606 -0.00312507 35
10324 56 C 39.701 29.2075 31.4571 -0.00146975 -0.00226469 -0.00211666 35
10325 57 C 46.9619 30.6312 14.6666 0.00399381 0.00172948 -0.00322321 35
10326 58 C 46.7752 31.4143 13.3137 0.00234211 -0.00542534 0.000936886 35
10327 59 C 46.5824 30.5167 12.0722 0.0010169 0.00308115 0.00318615 35
10328 60 C 46.3928 31.2847 10.7521 -0.00105877 0.000287737 0.00664564 35
10329 61 C 46.3508 30.3107 9.53032 0.000271696 0.000357466 0.000477815 35
10330 62 C 46.2685 31.0983 8.21527 0.00104054 -0.00193919 0.00179869 35
10331 63 C 46.3068 30.1475 6.92233 0.00115055 0.00203095 0.00308051 35
10332 64 C 46.1335 30.9482 5.56589 0.000488823 -0.000773625 -0.000365355 35
10333 65 C 46.1919 29.9412 4.38382 0.000676003 -0.00223871 -0.00418788 35
10334 66 C 45.7987 30.441 2.97487 0.004839 5.05958e-05 0.000593325 35
10335 67 C 46.9267 31.1731 2.21068 0.000777612 -0.00128101 0.00200991 35
10336 68 C 46.6458 31.4901 0.740575 0.00384405 0.000437422 0.00220661 35
10337 69 F 41.0005 32.4712 22.5919 0.000819766 -0.00160286 0.00012572 35
10338 70 C 44.0615 27.3316 14.5508 -0.0008276 0.00430149 0.00606556 35
10339 71 C 44.8468 27.9942 13.458 0.00151526 -0.00150551 0.00331483 35
10340 72 C 45.006 27.2955 12.08 0.00121359 0.000989515 -0.0023752 35
10341 73 C 45.2259 25.7658 12.103 0.00118496 0.00282851 0.00249513 35
10342 74 C 46.0261 25.1968 10.8491 -0.002182 -0.000571681 0.000237934 35
10343 75 C 45.8675 26.0146 9.49331 0.00562589 5.67005e-05 -0.000992182 35
10344 76 C 46.3577 25.2866 8.21711 -0.000965714 0.00281447 -0.00219673 35
10345 77 C 45.9828 26.0634 6.94287 -0.00016428 0.00207665 -0.00191029 35
10346 78 C 46.5309 25.3776 5.65151 -0.00470963 0.00394081 0.00071261 35
10347 79 C 46.4562 26.3278 4.42663 0.000160222 -0.00215943 0.00326117 35
10348 80 C 47.1002 25.7871 3.15803 -0.00106949 0.0030793 -0.00117627 35
10349 81 C 46.7625 26.7199 1.96861 0.00269439 0.00118961 -0.00329993 35
10350 82 C 42.2009 32.4095 14.5889 -0.000883384 -0.000988627 -0.00209705 35
10351 83 C 42.8655 31.3408 13.6989 -0.00291738 -0.00168062 -0.00304969 35
10352 84 C 42.4891 31.2507 12.211 -0.0011165 0.00356365 -0.00435425 35
10353 85 C 42.6391 32.5425 11.4014 -0.00210398 -0.000433925 -0.000946062 35
10354 86 C 42.413 32.2582 9.87408 -0.00291004 -0.000393596 -0.00342718 35
10355 87 C 42.8648 33.4042 8.96832 -0.00303707 -0.00150772 -8.86745e-05 35
10356 88 C 41.9982 33.8241 7.80655 0.00314331 -0.000165625 -0.004501 35
10357 89 C 41.2498 32.7417 7.01724 9.5191e-06 -0.00523564 -0.00299442 35
10358 90 C 42.1562 31.8572 6.1482 0.00287089 -0.000662523 0.00358509 35
10359 91 C 42.5884 32.5845 4.86085 0.00220608 0.000347906 -0.00297989 35
10360 92 C 41.422 32.8534 3.85427 -0.00321692 0.00190967 -9.12202e-05 35
10361 93 C 41.8542 33.0256 2.42537 -0.00160203 0.00228089 0.0032699 35
10362 94 C 34.6399 30.9056 33.4868 4.30547e-05 0.00373715 0.000716582 35
10363 95 C 34.5065 30.694 35.0181 0.000793311 0.000205688 -0.000157978 35
10364 96 C 33.0308 30.7532 35.4889 -0.00238472 -0.00786905 0.00221682 35
10365 97 C 32.8478 30.513 36.993 -0.00361994 0.00360021 -0.00537349 35
10366 98 C 33.772 31.3588 37.9184 -0.00167618 0.00258101 -0.00278437 35
10367 99 C 33.3716 31.3806 39.4134 -0.000839301 -0.000364939 -0.00150801 35
10368 100 C 33.7077 30.0984 40.1901 0.00110727 0.00143211 -0.00491121 35
10369 101 C 33.1568 30.0386 41.6409 -0.00290338 0.000892699 0.00129125 35
10370 102 C 33.8934 30.9337 42.6233 -0.00228306 -0.00223659 -0.00275231 35
10371 103 C 33.5148 30.5348 44.1009 -0.00229505 -0.000660189 -0.000857836 35
10372 104 C 34.4529 31.1562 45.1497 -0.00195336 0.00110847 0.00570773 35
10373 105 C 34.0327 30.7668 46.5486 0.00338738 0.00186136 -6.50316e-05 35
10374 106 C 40.8482 34.2437 33.8382 -1.14068e-05 0.0010228 0.00151395 35
10375 107 C 40.8472 34.4285 35.3557 0.000831088 -0.000383246 0.000602764 35
10376 108 C 41.456 35.8254 35.7128 0.000960338 0.00274428 -0.00340035 35
10377 109 C 41.3122 36.2011 37.197 -0.000496861 0.000454374 0.000800228 35
10378 110 C 42.155 35.312 38.1056 0.000694891 -0.000294389 -0.00214321 35
10379 111 C 42.073 35.7157 39.5831 0.00124056 -0.000979797 -0.00396027 35
10380 112 C 40.6994 35.3953 40.1918 0.000639346 -0.00203836 -0.000993487 35
10381 113 C 40.6466 34.6482 41.5441 -0.00130127 -0.00247656 0.00175138 35
10382 114 C 41.3513 35.3925 42.704 -0.00398597 -0.000705567 0.000400481 35
10383 115 C 40.828 34.9176 44.0621 -0.00304863 0.00102014 0.000488486 35
10384 116 C 41.4053 35.6895 45.2846 0.000751186 0.00236258 0.000706941 35
10385 117 C 40.9533 35.1417 46.6367 0.00412243 -0.00110794 -0.000238058 35
10386 118 C 40.5346 26.9399 34.4498 -0.000882959 6.82887e-06 0.00624978 35
10387 119 C 40.2134 27.0802 35.9734 -0.00104599 -0.0010449 -0.000436145 35
10388 120 C 41.3189 26.3896 36.7423 -0.000451398 0.0090506 0.00193581 35
10389 121 C 41.1309 26.4447 38.2661 0.000993612 -0.00162406 -0.00356884 35
10390 122 C 42.3558 25.8796 38.9818 0.00319942 0.00250965 -0.00387048 35
10391 123 C 42.3482 25.97 40.5161 -0.00239754 0.00554196 0.00258041 35
10392 124 C 41.147 25.2464 41.1871 -0.00165975 -0.00131903 0.00323229 35
10393 125 C 41.3396 25.1607 42.722 0.0003629 0.000795882 -0.00423157 35
10394 126 C 41.4109 26.5031 43.4391 0.000103025 0.00186624 0.00119843 35
10395 127 C 41.1771 26.4844 44.961 -0.00135525 -0.00151611 0.000912051 35
10396 128 C 42.2284 25.5929 45.6421 0.00112625 -0.000215921 -0.00221685 35
10397 129 C 42.1123 25.7455 47.154 -0.000125588 -0.00481972 -0.00151159 35
10398 130 F 39.445 32.221 24.7805 -0.00170481 0.00101382 0.00359222 35
10399 131 H 41.5032 34.6254 31.5437 -0.0163367 0.013651 -0.00364965 35
10400 132 H 41.6569 34.4345 29.2163 0.00237075 -0.00363978 -0.00135985 35
10401 133 H 40.653 32.4219 28.0354 -0.00970206 0.019935 0.0019662 35
10402 134 H 34.2233 30.5077 31.0922 0.0042306 -0.00302268 0.000141549 35
10403 135 H 34.5196 30.4693 28.6901 -0.00489973 0.0169323 0.0117323 35
10404 136 H 36.7557 30.4268 27.7501 0.00528018 0.0128541 -0.000747893 35
10405 137 H 41.2636 26.1843 32.1467 -0.00399999 -0.00433617 -0.00485948 35
10406 138 H 41.514 26.1829 29.7493 0.0053003 -0.000179861 -0.000259211 35
10407 139 H 40.6111 27.9129 28.3795 0.00701853 -0.00344478 0.0035277 35
10408 140 H 43.4876 28.9465 24.1437 0.00554495 0.00617774 0.0122782 35
10409 141 H 42.0211 28.6634 26.0859 -0.00200421 -0.000157046 0.00381852 35
10410 142 H 42.0061 26.4101 19.184 0.000273768 -0.00549954 -0.00491025 35
10411 143 H 42.3706 26.4396 16.7456 0.00286268 0.00847965 -0.0106544 35
10412 144 H 42.813 28.2321 20.5775 0.00838223 0.000385483 -8.51744e-05 35
10413 145 H 48.8458 30.9266 19.9258 -0.00616485 0.0163986 0.0113053 35
10414 146 H 49.0269 31.239 17.4435 0.000819335 -0.0115718 0.00254662 35
10415 147 H 46.6281 30.6791 20.9876 0.0104861 -0.00337708 -0.000792831 35
10416 148 H 41.6233 34.6956 19.3257 0.00821356 0.000385126 0.00380994 35
10417 149 H 41.9253 34.7645 16.8165 -0.00768044 -0.000161987 0.00313477 35
10418 150 H 44.5148 30.6782 15.8645 -0.00387362 -0.00575261 -0.001365 35
10419 151 H 42.6412 32.9689 20.6368 0.0202675 0.0107089 0.00175436 35
10420 152 H 38.8783 30.5771 32.9971 0.000366278 -0.00679642 -0.00294758 35
10421 153 H 47.8877 30.0438 14.63 0.00286439 -0.000349683 0.00163087 35
10422 154 H 46.1271 29.9262 14.7638 0.00167295 0.00613123 0.00866716 35
10423 155 H 47.6611 32.0467 13.1772 -0.00599499 0.00634993 0.00146423 35
10424 156 H 45.9092 32.0875 13.3328 0.0028463 -0.00497421 0.00712256 35
10425 157 H 45.6252 29.9914 12.1791 0.00843613 -0.0129568 -0.00919053 35
10426 158 H 47.3584 29.7508 11.9515 -0.00147391 0.0039363 -0.0183932 35
10427 159 H 47.1745 32.0402 10.6051 -0.00253659 0.00277081 0.0115431 35
10428 160 H 45.4531 31.8495 10.791 -0.00356278 -0.00239649 -0.0149249 35
10429 161 H 45.5003 29.6181 9.55253 -0.0029811 0.00400776 -0.00953662 35
10430 162 H 47.2644 29.706 9.58588 -0.000541582 -0.000145531 0.00863249 35
10431 163 H 47.1151 31.7852 8.09379 0.00447217 -0.00745604 -0.00569557 35
10432 164 H 45.3448 31.6892 8.18287 -0.00587659 -0.0134412 -0.0113414 35
10433 165 H 45.5977 29.321 7.05482 0.00517527 -0.000462625 0.00919312 35
10434 166 H 47.2928 29.6683 6.96246 0.00333672 0.00618916 -0.00114185 35
10435 167 H 46.8487 31.7642 5.40462 0.00879512 -0.0052618 0.0139653 35
10436 168 H 45.1446 31.4229 5.579 0.00186481 0.00262236 -0.0196452 35
10437 169 H 45.4549 29.1724 4.64671 0.00105725 0.000399623 0.00463031 35
10438 170 H 47.1807 29.4699 4.32508 0.000614283 -0.00320311 0.00258854 35
10439 171 H 44.8867 31.05 2.94649 -0.00148478 -0.00931884 0.00280169 35
10440 172 H 45.5578 29.5681 2.35564 -0.00154338 -0.00282432 0.00714514 35
10441 173 H 47.8419 30.5687 2.23475 -0.00409399 -0.00877546 -0.000865207 35
10442 174 H 47.0778 32.1216 2.74071 -0.000727241 -0.0054456 0.00989913 35
10443 175 H 45.7086 32.0429 0.601308 0.00772282 0.0109958 0.0179732 35
10444 176 H 46.5917 30.5227 0.226087 0.016091 0.00251776 -0.00295329 35
10445 177 H 47.4329 32.1269 0.318214 0.00870879 0.00581253 0.0193568 35
10446 178 H 44.7361 26.7346 15.1768 0.00567645 0.00244545 -0.00271244 35
10447 179 H 43.2948 26.6668 14.1341 0.00478414 0.00138448 0.00040391 35
10448 180 H 44.3155 28.94 13.2946 0.0055034 -0.00349274 -0.0210326 35
10449 181 H 45.8619 28.165 13.8371 0.00576978 0.0127504 -0.0145007 35
10450 182 H 44.1041 27.5547 11.512 0.00609692 -0.00931243 -0.0147724 35
10451 183 H 45.8492 27.7639 11.5574 0.00419429 -0.0107466 -0.00809892 35
10452 184 H 45.747 25.4552 13.017 -0.0048516 0.0111352 0.00875379 35
10453 185 H 44.2296 25.3091 12.1499 -0.00484601 0.0165135 0.00776534 35
10454 186 H 47.0846 25.0043 11.0635 -0.0018281 0.001852 0.000631313 35
10455 187 H 45.7017 24.1602 10.6956 0.0103192 -0.00402047 -0.00305936 35
10456 188 H 44.8242 26.2998 9.30959 0.00883853 0.0134839 0.00164719 35
10457 189 H 46.4599 26.931 9.60585 0.00830778 -0.00124172 -0.0045448 35
10458 190 H 47.4523 25.2215 8.24975 -0.000760592 0.00616728 -0.00222202 35
10459 191 H 45.9475 24.2759 8.10082 -0.0006087 0.00147267 0.00829741 35
10460 192 H 44.8916 26.0727 6.83001 0.000456389 -0.00502123 -0.0085858 35
10461 193 H 46.3436 27.0986 6.98279 -0.00367171 0.00361125 -0.00976273 35
10462 194 H 47.5732 25.0457 5.73448 0.000719935 0.0193796 -0.00557606 35
10463 195 H 45.9387 24.4791 5.43851 0.0122098 -0.00449575 -0.0107705 35
10464 196 H 45.3954 26.5324 4.23625 -0.000694875 -0.0114387 -0.00195004 35
10465 197 H 46.9183 27.2778 4.72227 0.00929411 -0.00412463 -0.0047519 35
10466 198 H 48.183 25.7005 3.31102 -0.00122467 -0.0132675 -0.00928909 35
10467 199 H 46.747 24.7751 2.92453 0.00387774 0.00088685 0.00083555 35
10468 200 H 47.2038 26.3573 1.03206 -0.00540505 0.0178001 -0.0135564 35
10469 201 H 45.6771 26.8009 1.83145 0.00317752 0.00338585 -0.0058372 35
10470 202 H 47.1399 27.7351 2.14296 -0.012934 0.00533199 0.00636176 35
10471 203 H 41.3657 31.9796 15.1554 0.00158766 0.00988409 0.00975699 35
10472 204 H 41.7825 33.1937 13.9459 0.00616543 0.0143957 0.0121051 35
10473 205 H 43.9502 31.488 13.7708 -0.00308363 -0.00208665 0.000324754 35
10474 206 H 42.6731 30.3511 14.1311 0.000206063 0.00326059 0.00963848 35
10475 207 H 43.147 30.4907 11.7718 -0.00567949 -0.00767777 0.00825558 35
10476 208 H 41.4446 30.9429 12.0778 -0.00450804 0.00684207 0.0146408 35
10477 209 H 41.851 33.2407 11.7092 -0.00688564 -0.00150747 -0.010716 35
10478 210 H 43.5935 33.0496 11.5897 8.22476e-05 -0.00784082 0.00785712 35
10479 211 H 43.0197 31.3906 9.58645 -0.0064984 -0.00472878 0.00207404 35
10480 212 H 41.3827 31.9414 9.67038 0.00202206 -0.0204941 0.00289257 35
10481 213 H 43.0997 34.2676 9.60294 0.0178288 -0.00512692 -0.00288257 35
10482 214 H 43.7941 33.0975 8.47242 -0.0105208 -5.50178e-05 -0.0150468 35
10483 215 H 41.2485 34.5015 8.23386 -0.000774704 0.00378403 -0.0177052 35
10484 216 H 42.6279 34.3994 7.11668 -0.00109617 0.0114196 0.00130147 35
10485 217 H 40.7117 32.1225 7.74562 0.0144308 -0.000639021 0.0116085 35
10486 218 H 40.4746 33.1637 6.3658 0.000508076 0.00500819 0.00307885 35
10487 219 H 43.0385 31.5787 6.73757 0.0180756 -0.00873588 -0.0230273 35
10488 220 H 41.6243 30.9272 5.91222 -0.00485149 0.00519449 -0.00209202 35
10489 221 H 43.1137 33.5237 5.0737 0.00981226 -0.00864842 0.0178215 35
10490 222 H 43.2437 31.9271 4.27624 -0.00399458 -0.0149056 0.00724255 35
10491 223 H 40.7229 32.0116 3.93182 -0.00371543 0.00123156 -0.0121368 35
10492 224 H 40.9002 33.7568 4.19355 -0.00624335 0.00359538 -0.00927624 35
10493 225 H 42.4691 33.9328 2.37932 -0.00351959 0.0029564 -0.00892404 35
10494 226 H 42.438 32.1654 2.07499 0.000795045 0.00476963 0.00115237 35
10495 227 H 41.0082 33.1777 1.74375 -0.00940276 -0.00645933 0.0110221 35
10496 228 H 34.4856 31.9649 33.2467 -0.000897112 0.00308479 -0.00155028 35
10497 229 H 33.9055 30.2887 32.9542 0.00406019 0.00621611 -0.00774205 35
10498 230 H 34.8859 29.7084 35.3148 0.0109971 0.00569434 0.0049968 35
10499 231 H 35.0664 31.4862 35.5303 -0.00581032 0.00180761 0.00458776 35
10500 232 H 32.5561 31.7126 35.2487 0.00118601 -0.00517217 0.00595101 35
10501 233 H 32.3846 30.026 34.982 0.00150112 -0.000790091 -0.0128543 35
10502 234 H 31.8043 30.7104 37.2679 -0.00613441 -0.00692329 -0.00738652 35
10503 235 H 33.0271 29.4737 37.295 -0.00674173 0.00588037 0.00439386 35
10504 236 H 34.7707 30.905 37.9111 0.00155568 0.0093845 0.0124681 35
10505 237 H 33.887 32.412 37.6341 -0.00387662 0.000637244 -0.0107635 35
10506 238 H 33.8964 32.22 39.886 -0.00919391 -0.00027846 0.00760287 35
10507 239 H 32.295 31.5868 39.4552 0.000116952 0.00477894 -0.00223718 35
10508 240 H 33.3621 29.2337 39.6102 0.00114204 0.00393238 -0.00866721 35
10509 241 H 34.8039 30.0588 40.1848 0.000590061 -0.0123381 -0.00506335 35
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10511 243 H 33.2294 29.0124 42.0218 0.0136702 0.00308947 0.0040549 35
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10513 245 H 33.7004 32.0017 42.4638 -0.00752477 -0.00184308 0.00619239 35
10514 246 H 32.4829 30.8357 44.3204 -0.00206366 -0.00194784 0.0020069 35
10515 247 H 33.512 29.449 44.2576 -0.00157765 0.00152163 0.0144023 35
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10517 249 H 34.4203 32.2469 45.0361 0.00279611 0.000918154 0.00247656 35
10518 250 H 32.9591 30.9096 46.7229 0.00165346 -0.0122061 0.000920487 35
10519 251 H 34.1967 29.6978 46.7322 0.00731423 0.0052892 0.0164741 35
10520 252 H 34.5862 31.3128 47.3224 -0.00209405 -0.00982911 0.012138 35
10521 253 H 41.9106 34.2534 33.5651 0.000889134 0.0137732 0.00551852 35
10522 254 H 40.3183 35.0658 33.3414 0.00631307 0.00447742 0.000490082 35
10523 255 H 39.8022 34.4199 35.6893 0.00182944 -0.00395652 0.0036275 35
10524 256 H 41.3793 33.6354 35.8953 -0.00654386 -0.00835578 -0.00387511 35
10525 257 H 42.4804 35.8718 35.3231 0.000939548 0.00530538 -0.00314466 35
10526 258 H 40.9503 36.5955 35.1172 0.00425008 0.0100367 0.00325189 35
10527 259 H 41.6257 37.2433 37.3347 -0.00776995 0.00214888 0.00463164 35
10528 260 H 40.2499 36.2505 37.4663 -0.00241363 -0.00821856 -0.00523397 35
10529 261 H 41.8666 34.2646 37.9533 0.00502085 -0.00263988 0.0058287 35
10530 262 H 43.2201 35.3738 37.8503 0.00352011 0.00906978 0.0118244 35
10531 263 H 42.7943 35.1643 40.1989 0.00976941 0.0175734 0.00262066 35
10532 264 H 42.2296 36.8011 39.6111 -0.00126333 -0.000784362 0.00235177 35
10533 265 H 40.1658 36.3436 40.3311 0.0108353 0.00622186 -0.0183038 35
10534 266 H 40.0973 34.8238 39.4747 -0.008886 -0.00331465 0.00800504 35
10535 267 H 39.5961 34.4914 41.8182 -0.00315939 0.0126748 0.00323947 35
10536 268 H 41.0781 33.6559 41.3636 0.0121638 0.00438248 -0.00381191 35
10537 269 H 42.434 35.2581 42.59 -0.00297604 -0.00039933 0.00975953 35
10538 270 H 41.103 36.458 42.6236 -0.00854167 -0.00211197 -0.00424089 35
10539 271 H 39.7404 35.0602 44.0606 -0.00593411 -0.0211912 0.00246218 35
10540 272 H 41.0982 33.856 44.121 -0.00622482 0.000282619 0.00164146 35
10541 273 H 42.5017 35.6937 45.2517 0.000695345 0.0113355 -0.000300921 35
10542 274 H 41.1427 36.7506 45.192 -0.00826377 2.80531e-05 -0.000254278 35
10543 275 H 39.8603 35.05 46.6151 0.0048808 -0.0103543 0.000398955 35
10544 276 H 41.3457 34.1419 46.8597 -0.00631592 -0.00405762 0.00497596 35
10545 277 H 41.2077 35.8354 47.4476 -0.011199 0.00116603 0.00263296 35
10546 278 H 40.0654 26.0104 34.1043 -0.00309673 -0.000331485 0.0101617 35
10547 279 H 41.5984 26.726 34.2887 -0.00474854 -0.00945313 -0.00686716 35
10548 280 H 39.2572 26.5822 36.1764 0.0057011 -0.0138589 -3.9435e-05 35
10549 281 H 40.1417 28.1399 36.2478 0.00443504 0.000309993 -0.00420303 35
10550 282 H 42.2391 26.9015 36.4346 -0.00111523 0.000347272 -0.0145864 35
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10552 284 H 40.2095 25.8914 38.4858 -0.00373567 0.00768478 0.000111965 35
10553 285 H 40.9044 27.4593 38.6165 -0.00867945 -0.0055534 0.00162509 35
10554 286 H 43.2654 26.3442 38.5817 0.0045781 -0.00552768 -0.0100622 35
10555 287 H 42.3426 24.8154 38.7157 -0.000819391 0.000499584 0.0043143 35
10556 288 H 42.1864 27.0138 40.8124 0.00114536 0.00639735 0.00146681 35
10557 289 H 43.3062 25.6187 40.919 -0.0019298 0.0128126 0.00780794 35
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10559 291 H 40.2553 25.8563 40.9964 -0.000893401 -0.000487095 0.00230134 35
10560 292 H 42.206 24.5068 42.8808 -0.00637162 -0.0106722 -0.014408 35
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10562 294 H 40.6247 27.1343 43.0068 0.0028261 0.0059849 0.00226629 35
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10564 296 H 40.1652 26.1313 45.1951 -0.00876554 0.0171351 -0.00295785 35
10565 297 H 41.2116 27.4953 45.3856 0.0101106 -0.00241127 0.00207929 35
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10567 299 H 42.0587 24.533 45.4159 0.0054507 -0.0038688 0.0115794 35
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10572 2 C 45.0591 40.6403 30.0506 0.00547704 0.00329919 -0.000596342 36
10573 3 C 44.5486 39.5955 29.3034 0.00142705 0.00152825 -0.000325176 36
10574 4 C 43.994 38.4799 29.9184 0.000196518 0.00253183 -0.000791491 36
10575 5 C 43.7759 38.4784 31.2975 -0.00374393 -0.00252156 0.00145198 36
10576 6 C 44.2019 39.6137 32.0519 0.00036729 -0.00103998 -0.000814518 36
10577 7 C 39.2726 37.3855 30.4324 0.00228825 -0.00185982 -0.00189272 36
10578 8 C 39.5298 37.2394 29.0251 -0.0016141 -0.00556136 0.00367118 36
10579 9 C 40.8377 37.2228 28.5647 0.00197147 -0.00181325 -0.00185136 36
10580 10 C 41.8736 37.2991 29.5255 -0.000868741 0.00275271 -0.000131686 36
10581 11 C 41.6309 37.2832 30.9285 0.000413716 0.000280625 -0.00149785 36
10582 12 C 40.3089 37.3538 31.3749 0.0014895 0.00281567 0.0012824 36
10583 13 C 44.9218 33.9118 31.3866 -0.00132057 0.00107786 -0.00251114 36
10584 14 C 45.0198 33.8906 29.9791 0.00351522 -0.0019104 -0.00117837 36
10585 15 C 44.5402 34.9699 29.2517 -0.00136217 -0.00256186 0.0005361 36
10586 16 C 43.918 36.037 29.8822 0.00120792 0.000287193 0.00278868 36
10587 17 C 43.3628 37.2838 29.1824 0.000550673 -0.00194967 0.000664041 36
10588 18 O 44.3206 34.9888 33.4484 0.00044384 -0.00136206 -0.00125894 36
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10590 20 O 43.9123 39.6747 33.4248 -0.000788898 -0.00163798 -0.00149771 36
10591 21 C 44.2676 34.9655 32.0616 -0.00305689 -0.00124866 -0.00118898 36
10592 22 C 43.7645 37.2813 27.7631 0.000296763 0.00351909 0.000515545 36
10593 23 C 44.3148 37.3236 26.6798 -6.02124e-05 0.00179373 -0.00254468 36
10594 24 C 45.1952 37.367 25.5578 -0.00614536 0.00309577 -0.0018122 36
10595 25 C 46.1573 38.3796 25.39 0.000501025 0.000789279 0.00441067 36
10596 26 C 47.06 38.3357 24.3241 -0.0024223 -0.000300099 -0.00041093 36
10597 27 C 46.9725 37.317 23.3834 -0.00146722 -0.00235202 -0.00305031 36
10598 28 C 46.042 36.2628 23.5367 0.00134242 -0.00124316 0.0013909 36
10599 29 C 45.1237 36.3097 24.6176 0.00125827 -0.000289905 -0.000545723 36
10600 30 C 47.6577 37.3164 22.1674 -0.00284249 0.002937 0.00298281 36
10601 31 C 48.1174 37.3954 21.0496 0.000587945 -0.00121324 -0.00240577 36
10602 32 C 46.1619 34.3609 18.7578 0.00151237 -0.00104058 -0.00454924 36
10603 33 C 46.2909 34.407 17.3377 -0.00279107 -0.00116277 -0.00119285 36
10604 34 C 47.1296 35.3406 16.7241 0.00119196 -4.30616e-05 -0.00205801 36
10605 35 C 47.7712 36.2645 17.5099 -0.000763296 0.00174855 -0.00100943 36
10606 36 C 47.612 36.2423 18.9035 -0.000422843 0.0011851 0.00188772 36
10607 37 C 46.8518 35.2848 19.5664 0.00489734 0.000365407 0.00462483 36
10608 38 C 48.3569 37.4078 19.5917 0.000162948 0.00010113 -0.00171955 36
10609 39 C 52.1852 37.5426 19.1805 0.000796107 -0.00319034 0.00317141 36
10610 40 C 52.29 37.6419 17.7679 0.00294821 0.000780866 -0.00259712 36
10611 41 C 51.1412 37.5224 17.0125 -0.000248146 0.000354387 -0.00130176 36
10612 42 C 49.9082 37.451 17.6697 0.00046933 0.000481045 -0.00213543 36
10613 43 C 49.8025 37.4291 19.0742 -0.00435427 -0.000190388 -0.000279852 36
10614 44 C 50.9567 37.4314 19.867 -0.00198483 0.000178063 -0.00111957 36
10615 45 C 46.5745 40.7662 18.756 -0.00165796 -0.00089614 0.00499919 36
10616 46 C 46.8072 40.7728 17.3487 0.000764127 -0.00614444 0.00173798 36
10617 47 C 47.4567 39.7139 16.7054 0.000293446 0.00192511 2.35171e-05 36
10618 48 C 47.8693 38.6514 17.5064 -0.00351295 0.0032202 -0.00383921 36
10619 49 C 48.5741 37.4348 16.9438 -0.000229903 -0.000687345 -0.00293616 36
10620 50 C 47.7244 38.6529 18.9207 -0.00110789 0.00120473 -0.00575229 36
10621 51 C 47.0259 39.7047 19.5407 0.00101991 0.00292147 0.000109779 36
10622 52 O 51.1842 37.5152 15.6366 -0.00211898 -0.00231869 0.00380184 36
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10625 55 C 42.9438 37.2795 31.7777 0.00382545 0.0019614 -0.00112237 36
10626 56 C 43.6839 36.0109 31.301 -0.000871543 0.00171892 -9.85185e-05 36
10627 57 C 51.8625 36.4763 14.9625 -0.00292695 0.00027752 -0.000732031 36
10628 58 C 50.9697 35.7728 13.8831 0.00102641 0.00260729 -0.00214327 36
10629 59 C 50.3831 36.6876 12.776 -0.000516049 -0.000383927 -0.000623418 36
10630 60 C 50.3398 35.9695 11.4033 0.000938265 -0.00138272 0.00159725 36
10631 61 C 49.9789 36.8251 10.1578 -0.00172262 0.00416807 0.00113718 36
10632 62 C 50.0533 36.066 8.79661 0.00216564 0.00159449 0.000599388 36
10633 63 C 49.8285 36.9509 7.53845 0.00154667 0.00406373 0.0031537 36
10634 64 C 49.872 36.0723 6.26346 0.00249835 -0.00289562 0.000842807 36
10635 65 C 49.6805 36.8922 4.99083 -0.000475361 -0.00208221 0.000905356 36
10636 66 C 49.7737 36.0178 3.70654 0.00257251 -0.00186875 0.00322345 36
10637 67 C 50.375 36.715 2.45184 -0.00245423 0.00138348 0.00359423 36
10638 68 C 49.4956 37.7825 1.81981 -0.00523445 0.00391245 -0.00111371 36
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10640 70 C 46.3399 35.0246 14.4431 0.00214382 0.000538703 0.00271404 36
10641 71 C 47.0405 35.095 13.0504 0.000209745 0.00140953 -0.00137035 36
10642 72 C 46.1437 34.6917 11.8822 0.00183213 -0.00101727 8.62872e-05 36
10643 73 C 46.8702 34.9603 10.5471 0.00162543 0.000315778 0.00438011 36
10644 74 C 45.9224 34.7819 9.35636 0.00567008 0.00307598 -0.000967456 36
10645 75 C 46.6355 35.0151 8.02374 0.000375672 -0.00306873 -0.000258008 36
10646 76 C 45.7265 34.7192 6.83628 -0.000920926 -0.00111825 -0.00184832 36
10647 77 C 46.4105 34.9014 5.50859 0.000945695 -0.000651798 -3.35379e-05 36
10648 78 C 45.5345 34.5047 4.28879 0.000761307 -0.00248159 -0.000764819 36
10649 79 C 46.1636 34.9418 2.9186 -0.00219672 -0.000944388 -0.00327525 36
10650 80 C 45.1164 34.7923 1.8028 0.000694715 -0.000378708 -0.00363499 36
10651 81 C 45.6553 35.0646 0.406456 0.00126728 -0.000844392 -0.00119525 36
10652 82 C 48.7965 40.2978 14.7388 -0.00321424 4.10984e-05 0.000114179 36
10653 83 C 48.7624 40.135 13.1909 0.0033989 0.000197547 -0.00295066 36
10654 84 C 49.6722 41.008 12.3366 0.00146488 -0.00113412 -0.00219788 36
10655 85 C 49.4418 40.7652 10.8033 0.00115337 0.000622125 0.000677465 36
10656 86 C 50.2347 41.8216 9.9906 0.00050026 -0.00248731 0.00373553 36
10657 87 C 50.5117 41.5364 8.48902 0.0012927 0.000161194 -0.000253669 36
10658 88 C 49.5105 40.6022 7.77388 -0.00011101 0.000957766 -0.00153624 36
10659 89 C 49.8779 40.2669 6.33318 -0.00374173 0.00172212 0.000135743 36
10660 90 C 49.8243 41.46 5.38942 0.000152065 0.00397917 -0.00212776 36
10661 91 C 49.7978 40.9604 3.86913 0.00012454 -0.00162553 0.0020168 36
10662 92 C 49.8508 42.1333 2.88818 0.00187539 -0.00683959 0.00154182 36
10663 93 C 49.7159 41.643 1.40357 0.00140236 -0.000193774 -0.00238489 36
10664 94 C 38.6829 37.4016 33.2102 -0.00383321 -0.000481407 -0.0022035 36
10665 95 C 38.5053 37.3538 34.7316 -0.00185142 -0.00135015 -0.00320221 36
10666 96 C 37.0641 37.5865 35.1876 -0.00534643 -0.00173789 -0.00354117 36
10667 97 C 37.0268 37.9732 36.6702 -0.000624 -0.000862135 0.00157399 36
10668 98 C 37.2862 36.7416 37.603 0.000685481 -0.00397458 -0.000460113 36
10669 99 C 37.7768 37.151 39.016 -0.00151795 0.00302054 -0.00156797 36
10670 100 C 36.8399 38.0799 39.7708 0.000641007 0.000957533 0.000805527 36
10671 101 C 36.9011 37.9686 41.3012 -0.0041369 -0.000524033 -0.000745067 36
10672 102 C 38.2895 37.6818 41.9057 0.00165048 0.0039527 0.000444349 36
10673 103 C 38.425 38.0859 43.3808 -0.000288509 0.00188023 -0.00230103 36
10674 104 C 37.3447 37.5053 44.3328 0.00236171 -0.00377145 0.000289721 36
10675 105 C 37.7049 37.6075 45.8094 0.00212949 -6.71786e-05 0.000122721 36
10676 106 C 43.7455 40.9125 34.0936 0.00373822 0.00149254 -0.00156961 36
10677 107 C 44.8947 41.1016 35.0712 0.00127935 0.000995765 -0.00332652 36
10678 108 C 44.4756 41.7942 36.3576 -8.46393e-05 0.000217537 -0.00196013 36
10679 109 C 45.4915 41.7366 37.5132 -0.00071228 -0.00346743 0.00219411 36
10680 110 C 44.793 41.7901 38.888 -0.000113571 0.00116313 0.00198988 36
10681 111 C 45.748 41.849 40.0683 -0.000269166 0.000508581 0.00375221 36
10682 112 C 44.9692 42.131 41.3508 0.00361915 -0.00104383 0.00363414 36
10683 113 C 45.8545 42.1929 42.5823 -0.00321262 -0.000474569 0.000550213 36
10684 114 C 45.0131 41.81 43.813 -0.00276353 0.000370484 0.00318726 36
10685 115 C 45.9051 41.8593 45.082 0.00329624 -0.00135045 -0.00272265 36
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10688 118 C 44.5646 33.7509 34.1849 0.000487249 0.0041245 0.000982701 36
10689 119 C 44.4889 33.9722 35.7099 -0.00344103 -0.00116069 -0.00345215 36
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10691 121 C 45.7453 33.3057 37.9276 -0.0019041 0.00091396 -0.00269559 36
10692 122 C 44.7605 33.0066 39.0586 0.00147921 -0.0026862 -0.00111407 36
10693 123 C 45.4039 33.1349 40.441 0.00207301 -0.00217434 0.00181771 36
10694 124 C 44.483 32.782 41.604 0.00155423 -0.00302449 0.00363508 36
10695 125 C 45.2311 32.9239 42.9526 0.00390668 -0.0010471 0.000699745 36
10696 126 C 44.2502 32.6317 44.1075 -0.00124874 0.00163151 -0.00393739 36
10697 127 C 44.9076 32.4114 45.4831 0.00227267 0.00317554 0.00421635 36
10698 128 C 45.0494 33.7127 46.2799 0.00264094 -0.000208751 0.00278054 36
10699 129 C 45.7279 33.5355 47.6642 -0.000609495 0.00114894 0.00139221 36
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10705 135 H 38.7106 37.2269 28.3124 -0.00464737 0.00255116 0.00700488 36
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10732 162 H 48.965 37.2381 10.2281 0.00339293 0.0150724 0.0105612 36
10733 163 H 49.3687 35.2108 8.85509 0.00288395 0.000937944 -0.000603949 36
10734 164 H 51.0546 35.626 8.71119 9.19275e-05 -0.00400237 0.00512876 36
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11992 214 H 13.3303 13.9073 56.636 0.000910709 -0.00244454 0.000300904 40
11993 215 H 12.4162 11.1161 55.8696 -0.0126264 0.00283265 0.00634652 40
11994 216 H 12.1345 12.58 54.8612 0.00429626 0.015792 0.00660119 40
11995 217 H 14.9409 12.3255 55.6529 0.00715147 -0.0143116 0.00470995 40
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11999 221 H 13.8914 10.99 52.2118 0.00614393 0.00497513 0.00871627 40
12000 222 H 12.3716 11.7896 52.8076 -0.00456228 0.00183403 -0.00489511 40
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12015 237 H 8.1467 13.936 86.3806 -0.00209149 0.000890794 -0.00783895 40
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12018 240 H 9.76055 13.1001 89.2032 0.000161524 -0.00326161 0.00168404 40
12019 241 H 8.23311 13.9938 89.0155 0.000487795 -0.00461811 -0.00944795 40
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12028 250 H 9.75943 10.4578 94.2516 -0.00479368 -0.0010712 8.17529e-05 40
12029 251 H 9.39454 11.6213 95.5404 0.0104314 -0.00267031 0.00211828 40
12030 252 H 8.24332 11.3475 94.22 0.00126549 0.0046914 -0.00158016 40
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12034 256 H 17.2414 16.7797 81.7292 0.0123 0.00815792 0.00735426 40
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12036 258 H 16.4879 18.1606 83.6283 -0.00156207 0.000296083 0.000474145 40
12037 259 H 15.4158 16.8868 85.2188 0.000962801 0.00175495 0.00237168 40
12038 260 H 16.5324 15.554 85.093 -0.012283 0.00025423 -0.0126016 40
12039 261 H 18.2608 16.9074 86.2155 -0.000360669 -0.0117322 0.0129282 40
12040 262 H 17.1755 18.2813 86.3029 -0.0111473 -0.00315466 -0.0160276 40
12041 263 H 15.5184 16.836 87.6803 0.00295949 0.00851842 -0.00075166 40
12042 264 H 16.7375 15.5421 87.6728 0.0112592 0.000324475 0.00353302 40
12043 265 H 18.3998 16.9709 88.6357 -0.000187815 -0.00555638 -0.000158325 40
12044 266 H 17.201 18.3014 88.7896 0.00476502 -0.00130947 -0.0145879 40
12045 267 H 15.9259 17.1247 90.4806 0.00367555 0.0043132 0.00677268 40
12046 268 H 16.7405 15.6114 90.0816 -0.00208398 -0.00123951 -0.00955511 40
12047 269 H 18.8533 16.5029 91.1354 0.00585293 0.00131427 0.0078979 40
12048 270 H 18.1415 18.0849 91.2313 -0.00874165 -0.000466962 0.0124368 40
12049 271 H 16.4458 17.2574 92.7907 -0.00172077 0.000529864 -0.0135737 40
12050 272 H 17.0993 15.6218 92.7583 -0.00433943 0.00499706 -0.0138446 40
12051 273 H 19.2886 16.4806 93.7481 6.78131e-05 -0.00802237 0.0165692 40
12052 274 H 18.6801 18.0883 93.7016 0.0130545 -0.00278701 -0.000855254 40
12053 275 H 17.0543 17.5911 95.5172 -0.00409588 -0.0139971 0.0101037 40
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12063 285 H 15.6558 9.72993 87.2853 0.00533563 0.00873685 -0.0110356 40
12064 286 H 17.9307 9.19675 88.0373 -0.00872198 0.00796368 -0.00601007 40
12065 287 H 17.5733 7.50218 88.1431 -0.00353867 -0.00717824 0.00411501 40
12066 288 H 15.7148 8.2455 90.0212 0.00579056 -0.0054583 0.0166455 40
12067 289 H 16.5263 9.80801 89.9932 -0.00511248 0.00219546 0.00261293 40
12068 290 H 18.7554 8.53775 90.3171 -0.00710589 0.00604615 -0.012172 40
12069 291 H 17.7821 7.09675 90.674 -0.0124703 0.00306061 -0.00256964 40
12070 292 H 17.5413 9.70432 92.2345 -0.00223734 0.00268715 -0.000733945 40
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12075 297 H 16.1492 7.37462 95.0387 -0.00855279 0.0135179 -0.00499801 40
12076 298 H 16.6181 9.5964 95.4911 -0.00286784 -0.00349879 0.00143355 40
12077 299 H 18.159 9.68227 94.6213 -0.00210318 0.00896176 0.00300996 40
12078 300 H 17.8129 8.02285 97.1481 -0.0052393 -0.00449106 -0.0061034 40
12079 301 H 19.2939 8.14597 96.1884 0.0030653 -0.000119533 0.00100665 40
12080 302 H 18.5867 9.55974 97.0926 0.0109016 0.00107653 -0.00584567 40
12081 1 C 20.3435 8.41692 79.6068 -0.003733 -0.0017206 2.9393e-05 41
12082 2 C 20.4735 8.18355 78.2295 -0.00444727 0.00191447 -0.000425046 41
12083 3 C 19.8955 7.06097 77.6316 -0.000318552 0.00241269 0.00112428 41
12084 4 C 19.1265 6.20563 78.4382 0.000706241 -0.00144775 -0.00139183 41
12085 5 C 18.9462 6.46881 79.8173 -0.00272703 -0.000695891 0.00098955 41
12086 6 C 19.5501 7.58305 80.4058 0.00426559 -0.000388068 -0.000145937 41
12087 7 C 14.4358 5.22726 79.4404 0.00115428 -0.000362289 0.000871678 41
12088 8 C 14.6159 5.05278 78.0625 0.005548 0.000491742 0.00781383 41
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12387 5 C 22.7877 13.2764 80.0662 0.000177147 0.00399538 5.80766e-05 42
12388 6 C 23.4368 14.4758 80.5769 0.000876894 -0.00439954 0.00274099 42
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12473 91 C 20.9534 12.4111 52.0206 0.000409362 -0.00145166 0.000888341 42
12474 92 C 20.3774 11.7321 50.7856 0.00022484 0.00526706 0.00498963 42
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12481 99 C 16.767 12.5476 89.1558 0.00228462 -0.000210018 0.00557515 42
12482 100 C 17.6046 12.5155 90.4565 0.00208924 0.00246315 0.00357501 42
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12509 127 C 25.0782 8.28841 93.8523 0.00364194 0.00342447 0.00232513 42
12510 128 C 25.899 7.96554 95.1123 0.000114637 0.000652527 -0.00222653 42
12511 129 C 25.3193 8.5886 96.3663 -0.0010867 0.00438569 0.00113267 42
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13024 38 C 28.0275 8.95519 67.7565 0.00280875 0.00377791 0.00029724 44
13025 39 C 31.6979 8.95084 66.5796 -0.00184353 0.00127974 0.00392867 44
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13029 43 C 29.3247 8.78073 66.9485 -0.00267062 0.00112339 -0.00237346 44
13030 44 C 30.6257 8.91842 67.4607 -0.000685421 -0.000593994 0.00204513 44
13031 45 C 25.9791 12.171 67.1596 -0.00614491 0.00314162 0.000558928 44
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13034 48 C 27.1377 10.0908 65.7478 -0.000111028 -0.00428533 0.00348528 44
13035 49 C 27.6101 8.73996 65.1315 0.00305 -0.00515441 0.00197247 44
13036 50 C 27.3163 10.1553 67.1548 -0.000757651 -0.000638015 -0.00145418 44
13037 51 C 26.6657 11.1693 67.8739 -0.00380315 0.000706521 0.00114133 44
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13040 54 O 26.7986 11.2972 63.7182 2.48215e-05 0.000653523 0.000243533 44
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13044 58 C 29.839 7.23936 61.2718 0.000398709 -0.000893651 -0.000510357 44
13045 59 C 29.0351 8.23882 60.3512 -0.000120769 -0.00185687 0.00334329 44
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13049 63 C 28.1414 8.66196 55.1556 -0.00402172 0.000679417 0.00203857 44
13050 64 C 28.378 7.72248 53.9713 0.000367634 0.00305924 -0.000554865 44
13051 65 C 28.1058 8.36949 52.6308 -0.00330354 -0.00499064 -0.000669137 44
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13065 79 C 24.4047 4.90735 52.3746 0.000428847 -0.00171778 9.46978e-05 44
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13075 89 C 28.5521 13.2277 54.9232 0.00392646 -0.00158528 0.00349076 44
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13079 93 C 28.8143 12.1962 50.5217 0.0036847 0.00529 0.000125658 44
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13085 99 C 24.5242 12.0326 88.6796 0.00396758 0.00311712 0.00528744 44
13086 100 C 24.7126 12.9201 89.9197 0.00223073 0.0014552 -0.00321196 44
13087 101 C 26.1414 12.999 90.4083 -0.00293349 3.22417e-05 -0.00177177 44
13088 102 C 26.2626 13.1882 91.9402 -0.00330753 -0.00241879 -7.65785e-05 44
13089 103 C 25.7423 11.9717 92.768 -0.000810568 -0.0018415 -0.000219147 44
13090 104 C 26.2412 11.9948 94.2259 -0.00172464 -0.00576027 0.0027495 44
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13095 109 C 32.2717 16.1888 85.5658 -0.00271095 0.00135194 0.00182636 44
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13097 111 C 34.0038 16.4886 87.3957 -0.0030363 0.00176872 0.000302834 44
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13099 113 C 33.5041 16.5446 90.0099 0.00173412 0.000946708 -0.000402376 44
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13110 124 C 31.5884 8.3493 89.9481 0.00109895 0.00365427 0.00174033 44
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13225 239 H 24.9664 11.0397 88.8279 -0.0167113 -0.00691478 3.23957e-05 44
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13238 252 H 24.6055 13.0586 95.0119 0.00168605 0.0219897 0.00318279 44
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13252 266 H 34.1753 18.1813 88.7481 -0.00775286 -0.0022934 0.0117607 44
13253 267 H 32.4602 16.8662 89.9085 0.000487167 -0.00456842 -0.00499374 44
13254 268 H 33.5727 15.4498 90.0217 -0.00505974 0.000732176 0.0174145 44
13255 269 H 35.1115 16.7614 91.4812 -0.00291 0.00268937 0.00111485 44
13256 270 H 34.1843 18.225 91.2446 0.0043753 0.00183662 0.00555998 44
13257 271 H 32.3607 17.5187 92.5301 -0.0043901 0.0035676 0.00996003 44
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13259 273 H 34.9452 16.4735 93.8879 0.0010504 0.00266198 0.0118238 44
13260 274 H 34.4778 18.1218 93.723 0.00167256 -0.00502058 -0.0132938 44
13261 275 H 34.0085 17.1542 96.0396 -0.0123494 -0.0013197 0.0100345 44
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13263 277 H 32.9873 15.9233 95.3319 -0.0147295 0.00230205 0.00386295 44
13264 278 H 31.7555 7.62169 82.4529 -0.00543281 0.00540118 -0.0108856 44
13265 279 H 32.6895 9.02694 83.0566 0.00776737 -0.00376908 0.00131574 44
13266 280 H 30.2112 7.82752 84.4569 0.00817953 -0.00606925 0.00808616 44
13267 281 H 30.8415 9.4245 84.7344 0.00539705 0.000557099 -0.00525459 44
13268 282 H 32.8615 8.65035 85.665 -0.000774451 0.000759066 0.00559839 44
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13270 284 H 31.4329 6.06102 86.2884 0.00483269 0.00807095 -0.0155479 44
13271 285 H 30.5907 7.54605 86.7775 0.000421484 0.00365111 -0.0017627 44
13272 286 H 33.5369 7.02419 87.4608 0.00915203 0.0108341 0.0153943 44
13273 287 H 32.2634 6.28025 88.455 -0.0146898 -0.00120031 -0.0060823 44
13274 288 H 31.8382 9.19843 88.0029 0.00482252 0.00172304 -0.00939377 44
13275 289 H 33.3935 8.84816 88.7376 -0.00123183 -0.00129245 -0.0136274 44
13276 290 H 30.6486 7.80186 89.8046 9.66582e-05 0.00626259 -0.00165443 44
13277 291 H 31.3595 9.36344 90.2981 0.00757019 0.00606399 -0.00100122 44
13278 292 H 33.5043 8.03351 90.8324 -0.0022521 0.00477285 0.00916915 44
13279 293 H 32.4808 6.58004 90.8733 0.00438499 0.000437424 0.00100381 44
13280 294 H 31.0801 7.83296 92.6127 0.00474533 -0.00984115 -0.000625496 44
13281 295 H 32.2586 9.14728 92.584 -0.000740568 0.00142471 -0.00620716 44
13282 296 H 34.0749 7.50786 93.1848 -0.00508922 0.000488044 -0.0154604 44
13283 297 H 32.8325 6.29163 93.4361 0.00256456 5.39636e-05 -0.00364291 44
13284 298 H 31.7576 7.83717 95.1758 -0.00717119 0.00257029 -0.00590093 44
13285 299 H 32.9415 9.05956 94.9259 -0.00976641 -0.00316726 -0.00225543 44
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13287 301 H 33.6621 7.74472 96.9095 -0.0161729 -0.0157195 0.00963228 44
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13290 2 C 35.9517 8.21932 78.313 0.00369966 0.00381315 -7.4208e-05 45
13291 3 C 35.4245 7.10248 77.697 0.00183978 -0.00176742 -0.00619181 45
13292 4 C 34.6509 6.20242 78.4184 0.00425689 0.00217484 -0.00169613 45
13293 5 C 34.4965 6.31295 79.8313 -0.000722811 0.00151243 0.0034948 45
13294 6 C 35.0814 7.42529 80.485 0.00190037 -0.00373701 -0.000414658 45
13295 7 C 30.0029 5.18398 79.6095 0.00209146 0.000835433 0.00186309 45
13296 8 C 30.0481 5.14639 78.1983 -0.00204216 0.00377032 -0.000416416 45
13297 9 C 31.2839 5.12061 77.5505 -0.000511339 0.0026052 0.00117772 45
13298 10 C 32.4775 5.0596 78.3414 -0.00266882 0.00185895 -0.00147681 45
13299 11 C 32.3739 5.16072 79.7505 -0.00175593 -0.00136811 -0.00237622 45
13300 12 C 31.1425 5.1601 80.4096 -0.000504375 0.00352895 0.000312767 45
13301 13 C 35.7382 1.78983 79.9854 -0.00804486 -0.000683136 0.0017897 45
13302 14 C 35.8608 1.79064 78.5917 -0.00458566 0.00261421 0.000837477 45
13303 15 C 35.2709 2.77034 77.8087 -0.00226135 0.000835577 0.000649036 45
13304 16 C 34.5461 3.76831 78.5103 0.00273572 -0.00589092 0.00384196 45
13305 17 C 33.9059 4.95159 77.8235 -0.0072744 -0.00120625 0.000757398 45
13306 18 O 35.0952 2.79163 82.0681 0.00125942 0.000974763 -0.00165615 45
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13308 20 O 34.8679 7.66707 81.8381 -4.44392e-05 0.0027511 -0.00429644 45
13309 21 C 35.053 2.77659 80.685 0.00192914 0.00384176 0.000767245 45
13310 22 C 33.8992 4.80075 76.3559 -0.00104576 -0.00513237 -0.00395366 45
13311 23 C 33.6693 4.53692 75.1708 0.000706989 0.00199727 0.00280992 45
13312 24 C 33.2991 4.10624 73.8744 0.000924528 0.00349053 0.00131218 45
13313 25 C 32.6943 5.00922 72.9917 -0.00267621 -0.000523984 0.000206339 45
13314 26 C 32.1991 4.53196 71.777 -0.00107763 -0.00154858 0.000961276 45
13315 27 C 32.3932 3.17912 71.4155 0.00624302 -0.00128449 -0.00284664 45
13316 28 C 33.0108 2.32187 72.3531 -0.000404889 -0.000979171 0.00187293 45
13317 29 C 33.4376 2.74643 73.5983 -0.00517159 -0.000237529 -0.000441161 45
13318 30 C 32.0044 2.64423 70.1189 -0.00627201 0.00145764 0.00224212 45
13319 31 C 31.8344 2.32099 68.9708 -0.00531086 0.00411085 0.0024844 45
13320 32 C 30.1262 -1.24328 67.064 8.29309e-05 0.000164608 -0.00253432 45
13321 33 C 30.1172 -1.32368 65.6377 -0.00101067 0.00313408 0.00483847 45
13322 34 C 30.7073 -0.326127 64.8787 -0.00449753 0.00104305 0.00212474 45
13323 35 C 31.194 0.786735 65.552 0.000731565 0.00174857 -0.000268106 45
13324 36 C 31.22 0.862745 66.9698 -0.0010294 0.00254917 0.00191011 45
13325 37 C 30.6421 -0.131634 67.707 0.00159825 -0.00417954 0.0033608 45
13326 38 C 31.8123 2.16931 67.5319 -0.00391011 -0.000267836 0.00322243 45
13327 39 C 35.631 2.2353 66.8526 -0.00163367 0.00387433 0.000189755 45
13328 40 C 35.6005 2.13235 65.4746 0.000200444 -0.00598132 -0.00137199 45
13329 41 C 34.3876 2.12613 64.8009 -0.00667053 0.00182152 -0.000958986 45
13330 42 C 33.1942 2.13575 65.5162 -0.00113979 -0.000421783 -0.00174433 45
13331 43 C 33.2061 2.26204 66.9228 0.00366929 0.0028689 0.00152992 45
13332 44 C 34.4687 2.30514 67.6265 -0.00208077 0.003752 0.00304234 45
13333 45 C 29.4723 5.17536 66.6319 -0.00329509 0.000706348 0.00135152 45
13334 46 C 29.4179 4.99105 65.2402 0.000112503 -0.00125204 0.00128635 45
13335 47 C 30.2421 4.02849 64.637 0.00162547 -0.000430113 0.00179481 45
13336 48 C 31.0103 3.18338 65.4207 -0.000581625 -0.00168914 0.000474606 45
13337 49 C 31.8029 1.99442 64.8807 -0.00100267 -0.000275646 -0.00059012 45
13338 50 C 31.0107 3.29092 66.8217 -0.000232135 0.00215549 0.00311684 45
13339 51 C 30.2493 4.33613 67.4488 0.00252652 -0.000847152 -7.59871e-05 45
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13343 55 C 33.7441 5.13784 80.4717 -0.00297529 0.00284567 -0.000904445 45
13344 56 C 34.4481 3.82551 79.9206 0.000799175 0.000675549 -0.000209367 45
13345 57 C 34.9997 0.96154 62.7554 -0.00239776 -0.00356035 -0.00427591 45
13346 58 C 35.0916 1.33816 61.2716 0.00094645 -0.003239 -0.0032071 45
13347 59 C 33.7933 1.27952 60.4317 -0.00382175 -0.00290565 0.000959732 45
13348 60 C 34.0314 1.86476 59.0341 -0.00169825 0.00166704 -0.00195776 45
13349 61 C 33.1215 1.25813 57.9477 0.00281493 0.000478442 -1.81236e-05 45
13350 62 C 33.4216 1.87878 56.5816 -0.00147383 0.00200552 -0.00549451 45
13351 63 C 32.655 1.16488 55.4908 0.00594044 0.00262276 0.00211709 45
13352 64 C 32.751 1.74216 54.0718 0.00352813 -0.00240423 8.12748e-05 45
13353 65 C 31.8285 1.01416 53.1463 -0.00141704 -0.00271823 0.00526311 45
13354 66 C 31.6399 1.56378 51.727 -0.000941332 -0.00124267 0.00242895 45
13355 67 C 32.7613 1.1629 50.7171 0.0049171 0.00162985 0.00417753 45
13356 68 C 32.5756 1.85355 49.373 -0.00383117 -0.00319468 0.00145331 45
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13359 71 C 31.8397 -1.78094 61.6867 -0.00212345 -0.0026127 0.000535731 45
13360 72 C 31.1437 -1.5264 60.3416 0.00197835 0.000601052 -0.00385798 45
13361 73 C 31.8296 -2.29372 59.2213 -0.00197534 0.00616155 0.00492481 45
13362 74 C 31.3613 -2.08095 57.7815 0.00448195 0.00152495 0.00192901 45
13363 75 C 31.9196 -3.11712 56.7715 -0.00287583 -0.000980784 -0.00136958 45
13364 76 C 31.6511 -2.68591 55.3199 -0.000391583 -0.000506761 0.00133012 45
13365 77 C 32.3394 -3.62932 54.2531 -0.00448739 0.00158323 -0.00126 45
13366 78 C 32.2098 -3.1322 52.7722 0.00132916 0.00149562 0.00475041 45
13367 79 C 32.9142 -3.93229 51.6777 0.00085028 -0.000643716 0.00126836 45
13368 80 C 32.7739 -3.34757 50.2646 -0.000341366 0.00334806 0.00147361 45
13369 81 C 31.4363 -3.70486 49.6296 -0.00233859 0.00245093 0.00137193 45
13370 82 C 29.1965 3.17241 62.6659 0.000589993 -0.0028377 0.00156148 45
13371 83 C 29.8076 2.36394 61.4996 -0.00153988 -0.0012881 -0.00412731 45
13372 84 C 30.2569 3.18256 60.2686 0.00199845 -0.00118277 0.00132455 45
13373 85 C 29.0654 3.64179 59.4367 0.00111392 0.00119818 -0.000341414 45
13374 86 C 29.3815 4.30205 58.0674 -0.00346742 -0.00115366 -0.00244593 45
13375 87 C 29.9725 3.3132 57.003 0.00155156 1.29785e-05 -0.00172669 45
13376 88 C 29.0218 3.00087 55.8662 0.00242415 -0.00242287 0.000967449 45
13377 89 C 28.6213 4.22641 54.986 0.00368656 0.00311719 -0.00097134 45
13378 90 C 27.8732 3.77363 53.6977 -0.001121 0.00215372 -0.00291467 45
13379 91 C 28.7868 3.44276 52.5399 0.00198817 -0.00140938 -0.00241619 45
13380 92 C 28.005 3.41346 51.1968 0.000930664 -0.00273787 -0.00169529 45
13381 93 C 28.8242 3.09878 49.9502 0.00286731 0.000810536 -0.00238491 45
13382 94 C 29.7932 5.63177 82.4449 -0.000327001 -0.00186514 0.00070755 45
13383 95 C 29.7054 5.14282 83.9116 0.00212456 0.00323701 -0.000237663 45
13384 96 C 28.3671 5.54488 84.5517 0.00461998 -0.000851642 0.00319046 45
13385 97 C 28.0342 4.80784 85.8862 0.000831623 -0.000810468 -0.0015123 45
13386 98 C 28.4068 5.62803 87.1429 0.00159963 -0.00249481 -0.00203031 45
13387 99 C 27.8327 5.03208 88.4577 -0.000540557 0.000266828 -0.000715229 45
13388 100 C 28.5674 5.72066 89.6327 -0.000936244 -0.00422435 -0.000221112 45
13389 101 C 28.193 5.08487 90.9765 -0.000498309 -0.00144024 -0.00185764 45
13390 102 C 28.957 5.75303 92.1335 -2.99331e-05 -0.00173392 -0.000935543 45
13391 103 C 28.7111 5.02889 93.4662 0.00158244 0.00377056 -0.00351971 45
13392 104 C 29.4924 5.69164 94.6148 -0.00195208 0.00389636 0.00458048 45
13393 105 C 28.7655 5.33273 95.9194 -0.00173667 0.00151717 -0.00026923 45
13394 106 C 35.5385 8.79231 82.4664 0.00321717 -0.00381372 -0.00508861 45
13395 107 C 35.1789 8.92697 83.9812 -0.00154537 0.00441638 0.00265674 45
13396 108 C 36.3683 9.33357 84.9177 0.00407423 0.00354814 -0.000145933 45
13397 109 C 35.8691 9.72397 86.3348 0.000496461 0.000776367 -0.00327502 45
13398 110 C 36.9785 9.52241 87.4299 -0.000253807 -0.00417143 0.000486668 45
13399 111 C 36.4737 10.0681 88.7707 -3.49831e-05 0.00064143 0.00319905 45
13400 112 C 37.2666 9.70894 90.0154 -0.00087849 0.00197325 -0.00320703 45
13401 113 C 36.5111 10.1881 91.2515 -0.00634346 0.00180604 -0.00263827 45
13402 114 C 37.1461 9.66513 92.5874 -0.00402251 -0.000567903 0.000864633 45
13403 115 C 36.2967 10.1581 93.7881 -0.00227207 -0.00368872 -0.00131801 45
13404 116 C 36.8183 9.76921 95.1702 0.00530145 -0.000466212 0.00235468 45
13405 117 C 35.912 10.3521 96.2625 -0.00393508 0.000744473 0.000742711 45
13406 118 C 35.6349 1.65533 82.7793 0.00454203 -9.74233e-05 -0.000369866 45
13407 119 C 35.842 1.89401 84.31 -0.00433219 0.00461889 -0.00232855 45
13408 120 C 36.5342 0.728222 85.0267 6.04579e-05 -0.000292688 -0.00215822 45
13409 121 C 37.0385 1.12065 86.4561 0.000930588 -0.00295979 0.000119277 45
13410 122 C 36.0363 0.829102 87.5826 0.00120521 0.000271215 0.000460767 45
13411 123 C 36.7309 0.994693 88.9302 0.00314175 0.00363561 0.000734695 45
13412 124 C 35.911 0.492628 90.093 -0.00119186 0.00437319 0.000807058 45
13413 125 C 36.6897 0.706618 91.4391 -0.00535215 -0.00301817 -0.000566278 45
13414 126 C 35.8727 0.192005 92.6569 -0.00174794 -0.00213439 -0.00337093 45
13415 127 C 36.6031 0.491535 93.9711 0.000765387 0.00236806 0.00285868 45
13416 128 C 35.8556 0.0383934 95.2452 0.00273258 0.00338348 -0.00285117 45
13417 129 C 36.4565 0.653953 96.5156 0.00104182 0.00019204 0.000462601 45
13418 130 F 32.4755 6.30202 73.3305 0.00137132 0.00180714 -0.00114219 45
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13421 133 H 35.5435 6.945 76.6291 0.00903382 -0.0101797 -0.00415557 45
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13423 135 H 29.128 5.18339 77.6226 -0.00347306 -0.00623922 0.00124488 45
13424 136 H 31.2949 5.11703 76.4645 -0.00868921 0.00503049 0.00108493 45
13425 137 H 36.2465 0.982758 80.5047 0.00587607 -0.00207446 -0.0139973 45
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13428 140 H 33.2051 1.29383 72.062 -0.00882002 0.000755921 -0.00988427 45
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13434 146 H 36.5221 2.13143 64.9001 0.000319103 -0.00587348 -0.00118194 45
13435 147 H 34.5608 2.35525 68.7074 0.00450841 0.00638963 0.0023626 45
13436 148 H 28.8882 5.9888 67.0521 -0.00510012 -0.00054908 0.00126985 45
13437 149 H 28.7285 5.59013 64.6526 0.00624804 0.00228474 -0.00229585 45
13438 150 H 31.8371 1.89473 63.7888 0.0028673 0.0130551 -0.00167818 45
13439 151 H 30.2055 4.41123 68.5313 0.0240942 -0.0117423 0.00156974 45
13440 152 H 33.6562 5.21327 81.5626 -0.00297655 -0.0224918 0.000838275 45
13441 153 H 36.0154 0.779722 63.1277 -0.00445754 -0.00584011 0.000221341 45
13442 154 H 34.3837 0.0620633 62.8775 7.3658e-05 -0.00239 0.0169214 45
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13444 156 H 35.4095 2.38394 61.3647 -0.00720801 -0.0018322 0.00922088 45
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13498 210 H 28.4401 4.36205 59.9786 0.00499982 0.00398246 0.000434756 45
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13500 212 H 30.0774 5.14397 58.1692 -0.00223921 -0.00375097 0.0104731 45
13501 213 H 30.8781 3.68736 56.5098 0.00117308 0.000610501 -0.00196975 45
13502 214 H 30.199 2.36901 57.5135 -0.00610304 -0.00534553 -0.00824215 45
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13506 218 H 29.5198 4.82727 54.7988 0.00323876 0.000987594 -0.00988435 45
13507 219 H 27.1374 2.98069 53.8797 0.0076555 -0.00610088 -0.00350659 45
13508 220 H 27.2518 4.61587 53.3693 -0.00230872 0.00324968 0.00214694 45
13509 221 H 29.5892 4.18362 52.4364 -0.00398536 0.00454205 -0.00613375 45
13510 222 H 29.2613 2.46329 52.6776 0.00966063 0.00180631 -0.00589838 45
13511 223 H 27.1959 2.67999 51.301 0.0119632 -0.0141061 0.00399016 45
13512 224 H 27.5236 4.37935 50.9999 0.00339302 -0.000979874 0.000930516 45
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13517 229 H 28.9241 5.18111 81.9499 -0.00968221 0.0018903 0.0137322 45
13518 230 H 29.7874 4.04908 83.8909 -0.00107019 0.00316792 -0.0100958 45
13519 231 H 30.5258 5.6377 84.4458 0.0125347 -0.0119775 -0.0021927 45
13520 232 H 28.3358 6.62141 84.7603 -0.00325251 -0.00215472 0.00884068 45
13521 233 H 27.5015 5.43545 83.8866 0.00681765 0.00368056 -0.000410619 45
13522 234 H 26.9771 4.51555 85.8634 0.00358074 -0.0100961 -0.0113022 45
13523 235 H 28.6041 3.87152 85.9297 0.00531895 0.00205985 0.00150017 45
13524 236 H 29.494 5.66638 87.2837 0.00202714 -0.0145396 -0.00211318 45
13525 237 H 28.0823 6.67211 87.0532 0.000674081 -0.00111435 0.0172784 45
13526 238 H 26.7411 5.13416 88.4944 5.61256e-06 -0.000510711 0.0172167 45
13527 239 H 28.0604 3.95896 88.4595 -0.0131396 -0.00237447 0.00837824 45
13528 240 H 29.6511 5.64991 89.4772 -0.00325348 0.00198136 -0.019205 45
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13530 242 H 27.1179 5.18076 91.1722 0.00286837 0.0197149 0.00635484 45
13531 243 H 28.4603 4.02112 90.9558 0.00599838 0.000244029 -0.00490611 45
13532 244 H 30.031 5.72891 91.9113 0.00137161 0.0102306 0.00456748 45
13533 245 H 28.6458 6.80142 92.22 0.0123832 0.0019006 -0.000367315 45
13534 246 H 27.6267 5.0747 93.6256 0.00147429 -0.0118517 0.000159761 45
13535 247 H 29.0097 3.97668 93.3817 -0.00321461 0.0023961 -0.00332223 45
13536 248 H 30.5189 5.30787 94.5663 -0.00281442 0.00476642 -0.0214953 45
13537 249 H 29.3914 6.77593 94.4825 -0.0172235 0.00243807 0.00387866 45
13538 250 H 29.2628 5.68783 96.8304 0.011453 0.011306 -0.0113301 45
13539 251 H 27.7397 5.72111 95.9399 -0.000277866 0.00592369 -0.0115958 45
13540 252 H 28.6696 4.24866 96.0573 -0.00473942 0.00043415 -0.0109537 45
13541 253 H 36.6069 8.54696 82.4232 0.00550876 0.00604144 -0.00388641 45
13542 254 H 35.307 9.68741 81.8759 0.00144176 -0.00575019 -0.00734183 45
13543 255 H 34.3498 9.64175 84.0525 -0.00194024 0.00367144 0.00548046 45
13544 256 H 34.798 7.97539 84.3721 0.019361 -0.00842841 -0.00820154 45
13545 257 H 37.0201 8.45599 85.0093 -0.00539769 -0.00489575 -0.0135596 45
13546 258 H 36.9739 10.147 84.4993 0.00260423 0.00128293 -0.00667355 45
13547 259 H 35.548 10.7724 86.3005 -0.0096305 -0.00215699 0.00187747 45
13548 260 H 34.9988 9.12067 86.6214 -0.00830229 0.0146333 -0.000831784 45
13549 261 H 37.2436 8.46371 87.5409 0.000404205 -0.00394607 0.0010732 45
13550 262 H 37.911 10.0058 87.1132 -0.00734147 0.00231787 -0.0104852 45
13551 263 H 36.3333 11.1492 88.6487 0.00168058 0.00158125 0.00968307 45
13552 264 H 35.4742 9.62545 88.8627 0.00139986 -0.00186311 0.00667876 45
13553 265 H 37.4085 8.62129 90.0323 0.00078683 0.00195717 -0.0177537 45
13554 266 H 38.2411 10.2075 89.9444 0.00389982 -0.00834091 -0.00999739 45
13555 267 H 36.4581 11.2831 91.2898 0.0179516 0.0022011 0.0197847 45
13556 268 H 35.48 9.83456 91.128 -0.00914748 0.00536822 0.0107939 45
13557 269 H 37.1872 8.56909 92.567 0.00105349 -0.000181183 -0.00958349 45
13558 270 H 38.1696 10.0541 92.6552 -0.00613621 0.00630756 -0.00653019 45
13559 271 H 36.3175 11.2537 93.7381 -8.32388e-05 -0.00385713 -0.00417226 45
13560 272 H 35.2688 9.79215 93.6739 -0.00561853 0.00336575 0.0062384 45
13561 273 H 36.8165 8.67308 95.214 -0.0127949 -0.000418255 0.00365913 45
13562 274 H 37.8229 10.2097 95.1721 -0.00198269 0.0161362 0.0106883 45
13563 275 H 36.3151 10.1729 97.2669 -0.00699412 0.0017846 0.00215609 45
13564 276 H 35.851 11.4374 96.115 -0.000873334 -0.000315165 -0.00838173 45
13565 277 H 34.8912 9.95442 96.2062 -0.00479841 0.00410452 -0.00738403 45
13566 278 H 34.9615 0.80022 82.6428 0.0130895 -0.00501913 -0.0115509 45
13567 279 H 36.6576 1.4493 82.44 -0.00458262 -0.00598167 -0.0241131 45
13568 280 H 34.9027 2.13787 84.8215 -0.000498241 -0.00166513 0.00770073 45
13569 281 H 36.4869 2.76846 84.4612 0.0016779 -0.00175096 0.00888882 45
13570 282 H 37.2982 0.239603 84.4095 0.00412843 -0.00566147 0.00711166 45
13571 283 H 35.8362 -0.108988 85.1503 -0.00112179 0.000555986 -0.00310105 45
13572 284 H 37.2933 2.18761 86.4633 -0.0050924 -0.00156671 0.00663954 45
13573 285 H 37.9506 0.54825 86.6654 0.00421839 0.00257272 0.000885256 45
13574 286 H 35.7154 -0.216152 87.4938 -0.00102437 0.00105592 -0.000696703 45
13575 287 H 35.1565 1.48434 87.5843 0.0043586 0.00450938 0.0164696 45
13576 288 H 37.0397 2.04058 89.0492 0.00746226 0.00278234 -0.00288047 45
13577 289 H 37.6747 0.438174 88.877 0.00859721 0.0102704 0.028835 45
13578 290 H 35.6872 -0.576117 89.9877 0.0128333 0.0024015 -0.00885933 45
13579 291 H 34.9614 1.04172 90.1013 0.00233336 0.0104851 -0.000168884 45
13580 292 H 36.8099 1.79449 91.5133 -0.00675679 -0.00305266 0.00219081 45
13581 293 H 37.6665 0.207453 91.4514 0.000859465 0.00948969 0.0145918 45
13582 294 H 35.7411 -0.893841 92.5729 0.0134056 -0.00382458 -0.00558899 45
13583 295 H 34.9102 0.715514 92.7124 0.00268566 0.0051051 0.00565536 45
13584 296 H 36.8013 1.56949 94.0172 0.00143607 0.00264264 -0.00635023 45
13585 297 H 37.5779 -0.00835226 93.9146 0.00207872 0.00488203 0.00329515 45
13586 298 H 35.9528 -1.05384 95.2139 0.0100041 0.00415917 -0.00811218 45
13587 299 H 34.796 0.307778 95.1542 0.00373876 0.00784446 -0.00136991 45
13588 300 H 36.2519 1.7283 96.6012 0.00764908 7.68338e-05 0.0181312 45
13589 301 H 37.5421 0.496658 96.509 0.0012233 0.00156445 -0.00245631 45
13590 302 H 36.0772 0.275638 97.4729 0.0192207 -0.00331187 0.00630238 45
13591 1 C 39.614 15.2991 79.4985 -0.00814613 -0.00145249 -0.0015885 46
13592 2 C 39.5511 15.1635 78.0985 -0.00133426 0.000876866 -0.000810997 46
13593 3 C 39.0549 13.9845 77.5514 -0.00306651 -0.00295215 -0.0011394 46
13594 4 C 38.5615 12.991 78.3976 0.000205876 -0.00185645 -0.00217959 46
13595 5 C 38.5114 13.1464 79.7984 0.00116498 -0.00143883 -0.00219476 46
13596 6 C 39.0329 14.3512 80.3722 0.00662747 0.00147525 -0.000657318 46
13597 7 C 33.9931 11.8311 79.703 0.00166407 -0.000384894 0.000102535 46
13598 8 C 34.069 11.7112 78.3145 0.00271858 -0.000648614 0.00347882 46
13599 9 C 35.3043 11.7223 77.67 0.00216423 0.0019451 0.0013956 46
13600 10 C 36.4723 11.7998 78.4498 0.000177483 0.00441723 0.000647802 46
13601 11 C 36.419 11.8943 79.8634 0.000841283 -0.0011998 0.00152553 46
13602 12 C 35.1412 11.9251 80.5024 -0.00138945 0.0026976 0.000503583 46
13603 13 C 39.53 8.44606 80.1582 -0.0028317 -0.000794781 -0.005273 46
13604 14 C 39.661 8.43089 78.7702 0.000913184 -0.00171255 0.00252025 46
13605 15 C 39.1866 9.46753 78.0018 0.00494335 0.00259785 0.000941675 46
13606 16 C 38.5809 10.5836 78.5993 0.00289045 -0.000104629 -0.00293707 46
13607 17 C 37.8989 11.7421 77.8837 0.000519092 0.00168617 -0.00239423 46
13608 18 O 39.0143 9.67688 82.1509 0.000224834 -0.00159947 0.00078157 46
13609 19 O 35.0358 12.0027 81.8783 0.00182524 -0.00067242 0.00122723 46
13610 20 O 39.1026 14.5617 81.735 -0.00305756 0.000242982 0.00603557 46
13611 21 C 38.9907 9.59075 80.7795 0.00259424 -0.00336352 -0.00123916 46
13612 22 C 37.894 11.5113 76.4168 0.00228259 0.00284068 0.000817527 46
13613 23 C 37.7272 11.1557 75.2623 -0.000202893 0.000133671 0.00101875 46
13614 24 C 37.3875 10.7457 73.9099 -0.00148913 4.55248e-05 0.00332518 46
13615 25 C 37.7926 9.4705 73.465 -0.00155076 0.00060259 -0.00553071 46
13616 26 C 37.242 8.94211 72.3135 0.000715724 0.00333491 0.00114764 46
13617 27 C 36.3675 9.76638 71.5307 0.00209007 -0.00491399 -0.000420975 46
13618 28 C 35.948 11.0282 71.9651 -0.000499486 0.00305437 -0.000783725 46
13619 29 C 36.4796 11.5146 73.1622 -0.00134068 -0.000149042 -0.00278225 46
13620 30 C 35.8966 9.31003 70.2609 0.000113716 0.00537115 -0.000229923 46
13621 31 C 35.6276 9.0614 69.1405 -0.00239057 0.00300246 -0.000211465 46
13622 32 C 33.4147 5.81323 67.0794 -0.00178842 -9.87056e-05 0.00196021 46
13623 33 C 33.4566 5.78746 65.7014 0.00650773 -0.00119468 0.00029777 46
13624 34 C 34.138 6.7939 64.9932 0.00187332 0.00442214 -0.00282249 46
13625 35 C 34.7749 7.82217 65.6912 -0.00135157 0.000372843 0.00155198 46
13626 36 C 34.7733 7.80776 67.0946 -0.00739244 -0.00406816 0.00243497 46
13627 37 C 34.067 6.83391 67.8076 0.0018161 0.00250133 -0.00395078 46
13628 38 C 35.5463 8.98654 67.7026 -0.00217751 0.00454824 0.00106059 46
13629 39 C 39.3779 8.94994 66.9495 0.00455643 -0.000761622 -0.00249295 46
13630 40 C 39.3377 8.87063 65.5212 0.00320942 0.00420182 0.00546123 46
13631 41 C 38.0964 8.86734 64.8298 0.00337985 -0.00133895 -0.00380459 46
13632 42 C 36.94 8.85705 65.5998 0.00584021 -0.000356289 -0.00178365 46
13633 43 C 36.9611 8.91056 67.0212 -0.00252723 -0.00279202 0.000509367 46
13634 44 C 38.1829 8.93841 67.6918 8.98511e-05 -0.00391617 -0.000412279 46
13635 45 C 34.0165 12.4886 66.9772 -0.00056354 0.00280466 0.00405569 46
13636 46 C 34.0711 12.4625 65.5941 0.00055433 0.00354789 0.00163272 46
13637 47 C 34.5811 11.3774 64.8796 0.00148281 -0.00579516 0.00435072 46
13638 48 C 35.0219 10.2517 65.619 0.0043354 -0.00233056 0.000640674 46
13639 49 C 35.548 8.9791 65.0433 -1.77537e-06 -0.00468015 0.000270208 46
13640 50 C 35.0086 10.2794 67.0353 -0.00446777 -0.00305966 0.00273484 46
13641 51 C 34.472 11.3684 67.7001 0.00291756 -0.00192075 0.00281734 46
13642 52 O 38.0238 8.91662 63.4659 -0.00345182 0.00229049 0.000113826 46
13643 53 O 34.317 6.69572 63.6406 -0.00491787 0.000310355 0.00419326 46
13644 54 O 34.6058 11.4453 63.5101 -0.0023877 0.00206844 -0.00213294 46
13645 55 C 37.7889 11.9581 80.4935 0.00229998 -0.000110624 -0.00363478 46
13646 56 C 38.5039 10.6647 79.9943 -0.000952575 -0.00142138 0.00257069 46
13647 57 C 37.4894 7.87014 62.6697 0.00315732 0.00367248 -0.000224457 46
13648 58 C 36.9208 8.58918 61.4676 -8.66925e-05 0.00613066 0.00279615 46
13649 59 C 36.5009 7.66902 60.3259 -0.000842263 0.00121597 -0.00291759 46
13650 60 C 35.5978 8.35118 59.3249 -0.00339589 0.00500846 0.00195439 46
13651 61 C 36.2553 9.26555 58.3021 0.00101852 -2.34727e-05 -0.00134778 46
13652 62 C 37.0904 8.48211 57.2147 0.00363148 -0.000334744 0.00517054 46
13653 63 C 37.1078 9.09904 55.7697 -4.46506e-05 -0.00393766 -5.20601e-05 46
13654 64 C 35.7104 8.96764 55.0228 0.00117599 0.0045606 0.00176255 46
13655 65 C 35.8128 8.15964 53.7144 -0.000582061 -0.000617614 -0.000741722 46
13656 66 C 36.2423 8.99571 52.5047 -0.0036993 0.00066429 0.000609051 46
13657 67 C 36.2526 8.15778 51.197 -0.00133207 0.000447601 0.00132079 46
13658 68 C 36.4982 9.05709 49.9465 -0.00027349 -0.00321842 0.00462065 46
13659 69 F 37.7023 7.75795 71.8749 0.00187277 -0.000409635 0.0014995 46
13660 70 C 33.1602 6.76458 62.7839 0.00447802 -0.000740643 -0.00209147 46
13661 71 C 32.7842 5.38549 62.1815 0.0021916 0.00215518 0.00225441 46
13662 72 C 33.3332 5.09713 60.7798 0.00330266 0.000297826 0.000141108 46
13663 73 C 32.7999 6.08989 59.6991 -0.00100346 0.00229877 -0.00461291 46
13664 74 C 33.2154 5.73907 58.2376 -0.00165938 0.000620439 0.000982805 46
13665 75 C 32.8274 6.88186 57.2882 -0.000921406 0.00294704 -0.00331938 46
13666 76 C 32.1093 6.50508 56.0063 0.00103844 0.00292424 0.00286141 46
13667 77 C 32.934 5.84596 54.8683 0.00158175 0.00307113 -0.00149943 46
13668 78 C 32.1395 6.02442 53.5368 0.00221992 0.00236554 -0.0025466 46
13669 79 C 32.8797 5.57198 52.2722 -0.00334535 -0.000711158 0.00067127 46
13670 80 C 32.0025 5.86408 51.0185 -0.00120012 -0.00248401 -0.0017521 46
13671 81 C 32.8583 5.93527 49.7497 0.00142819 0.00216965 0.000315078 46
13672 82 C 35.7666 11.8272 62.7809 0.00400204 0.000381407 0.00280304 46
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13701 111 C 40.8293 17.2373 88.1683 0.00366552 0.000491198 0.00269446 46
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13713 123 C 40.2911 8.16055 88.5812 0.00135115 0.00131192 0.000440198 46
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13717 127 C 40.3118 7.91261 93.7725 -0.000769823 -0.00194208 0.000800779 46
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13789 199 H 31.4099 6.77078 51.1921 0.0018605 -0.001137 0.00169692 46
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13818 228 H 33.0296 12.5381 82.028 0.0023061 0.00990034 0.00868558 46
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13822 232 H 31.737 12.3959 84.3708 -0.00323027 0.00432522 0.0143353 46
13823 233 H 32.3593 10.7566 84.3175 0.00276279 -0.00401719 0.00712331 46
13824 234 H 31.6586 11.0944 86.5308 0.000905771 0.0014161 -0.00247601 46
13825 235 H 33.4235 10.9531 86.5313 -0.00414774 -0.00462214 -0.000624855 46
13826 236 H 33.6769 13.4442 86.6998 0.00287444 -0.00262314 -0.0121595 46
13827 237 H 31.9321 13.6033 86.6072 -0.0115091 -0.00458114 0.0107437 46
13828 238 H 32.6829 13.8776 88.9477 0.00462911 -0.00329693 0.00673165 46
13829 239 H 31.5663 12.604 88.7824 0.00351117 -0.0123463 0.00477753 46
13830 240 H 33.5924 10.9929 88.698 0.0129658 -0.000213621 -0.00587317 46
13831 241 H 34.5249 12.4235 89.2819 0.00104138 -0.00641027 0.00206107 46
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13833 243 H 33.2793 10.58 90.8162 -0.00579434 -0.00564265 -0.0156693 46
13834 244 H 34.7001 12.505 91.7806 0.000418893 0.00359404 0.00781001 46
13835 245 H 33.3 13.5709 91.7118 0.0155844 0.00562552 0.000309874 46
13836 246 H 32.0087 11.9558 93.1541 -0.00189096 0.00467099 0.000364054 46
13837 247 H 33.403 10.9201 93.2688 -0.00936271 -0.0016655 0.00320769 46
13838 248 H 34.6273 12.4815 94.5934 0.000824725 -8.94532e-05 -0.00867366 46
13839 249 H 33.5311 13.8185 94.19 -0.0209219 0.00234182 0.0013814 46
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13841 251 H 32.764 11.2961 95.8426 0.0107507 -0.000766818 -0.00603851 46
13842 252 H 33.1739 12.8959 96.4922 0.0168098 0.00342285 -0.0064303 46
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13844 254 H 38.7052 16.5792 82.0361 0.00292018 -0.00383561 -0.0111519 46
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13847 257 H 40.6275 17.732 83.6026 -0.00603895 -0.00414322 -0.0100473 46
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13849 259 H 41.763 17.1104 85.5651 -0.0021339 0.00319 0.00427384 46
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13855 265 H 39.166 16.9227 89.4855 -0.00372011 -0.00797532 0.00653162 46
13856 266 H 40.3294 15.5778 89.5266 0.00294303 0.00582469 0.00477714 46
13857 267 H 41.9687 17.0294 90.6405 -0.000677083 0.00340059 0.00955706 46
13858 268 H 40.8 18.3935 90.6078 -0.00808846 0.00458467 0.00513761 46
13859 269 H 39.2053 17.0624 92.0481 -0.000451471 -0.0121771 0.00247666 46
13860 270 H 40.3519 15.7779 92.2265 -0.00332315 -0.0039466 -0.00154016 46
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13863 273 H 39.2918 17.4789 94.6083 -0.00251947 0.00157688 0.00666165 46
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13865 275 H 40.7869 17.5345 96.7309 -0.00164516 0.000143649 -0.00123787 46
13866 276 H 42.1551 18.0041 95.7735 -0.00227737 -0.0056754 -0.0133187 46
13867 277 H 40.7646 19.0293 95.7629 0.0147672 0.00132304 0.00552245 46
13868 278 H 38.8095 9.09569 83.9838 -0.00354087 0.000902936 -0.00517811 46
13869 279 H 38.2911 7.79976 82.7892 -0.00617585 0.00217011 0.00927956 46
13870 280 H 41.0671 8.77961 83.3114 0.000839699 0.000903791 -0.00694941 46
13871 281 H 40.6008 7.15073 82.6848 -0.0123238 -0.00123616 0.0018556 46
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13874 284 H 39.3616 8.61954 85.9626 -0.0100469 -0.0183982 0.0148356 46
13875 285 H 41.1711 8.84279 85.9918 0.00030597 -0.000655836 0.00578773 46
13876 286 H 41.247 6.68301 87.25 -0.00651864 -0.00736194 0.00540187 46
13877 287 H 39.4573 6.60324 87.3206 -0.0104253 0.014527 -0.00750013 46
13878 288 H 39.3717 8.75853 88.5585 0.00803735 0.0121017 0.014504 46
13879 289 H 41.1587 8.82931 88.6396 0.00519863 -0.00389519 0.00293753 46
13880 290 H 41.0241 6.5702 89.8481 0.00427847 -0.0028349 -0.00585419 46
13881 291 H 39.2565 6.74061 89.8955 -8.09901e-05 0.00582361 -0.00303355 46
13882 292 H 39.5432 8.85638 91.2734 -0.0011223 0.0016092 -0.00381756 46
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13886 296 H 39.424 8.54428 93.9002 -0.00626331 -0.00825331 -0.00630972 46
13887 297 H 41.1438 8.62738 93.7555 -0.00443597 0.00235771 0.00155149 46
13888 298 H 41.2749 6.44808 94.9254 0.00929527 0.00808112 0.00727445 46
13889 299 H 39.5168 6.30161 95.0687 -0.0141945 0.0146395 -0.00215516 46
13890 300 H 39.6576 8.60672 96.322 -0.00485681 -0.00400566 0.0122019 46
13891 301 H 41.3471 8.32558 96.3912 0.00150319 -0.00227701 0.01246 46
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13893 1 C 43.5289 8.42188 79.7727 0.000397574 -0.00183217 0.00115274 47
13894 2 C 43.6985 8.3076 78.3965 -0.00315298 -0.00289209 0.00425971 47
13895 3 C 43.1165 7.19829 77.7715 -0.00138776 -0.000254389 0.000873205 47
13896 4 C 42.5063 6.22521 78.5664 -0.000273995 0.0063171 0.000784975 47
13897 5 C 42.4247 6.26802 79.9734 0.00086633 0.00316339 -0.00350536 47
13898 6 C 42.9514 7.43084 80.5767 -0.00250599 0.0023754 0.00460098 47
13899 7 C 37.8547 5.0566 79.6452 -0.000370393 0.00146498 0.000912022 47
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14301 107 C 47.6709 16.235 83.1067 0.0005431 -0.00152971 -0.00067264 48
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14307 113 C 47.6598 16.5162 90.4163 0.000352751 8.42782e-05 3.29324e-05 48
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14310 116 C 48.7964 16.0086 94.2153 0.00186723 -0.00163613 0.00203932 48
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14317 123 C 48.0043 6.50831 88.1951 0.000344948 0.00444557 0.00143123 48
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14322 128 C 48.5295 7.21296 93.8923 0.000744807 0.00257942 0.00455822 48
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14530 34 C -0.868388 13.0672 65.3879 0.00436746 0.00335627 -0.000991428 49
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14544 48 C -0.63019 16.7214 65.4222 -0.00197764 -0.00102447 -0.00231999 49
14545 49 C 0.0625169 15.4853 64.8649 0.000276326 -0.000111153 -0.00151032 49
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14573 77 C 1.09514 9.7741 55.6364 -0.00179139 0.00822968 0.000902923 49
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15211 111 C 12.3467 24.0582 87.6574 -0.000467489 -0.00556155 0.00344949 51
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15213 113 C 13.4761 23.597 89.8944 0.00232097 -0.00196057 0.000633575 51
15214 114 C 13.3431 22.7663 91.1883 0.00329031 0.00312703 0.00391717 51
15215 115 C 13.8973 23.5601 92.4141 -0.00146577 -0.000544662 0.000561058 51
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15217 117 C 13.7807 23.6993 95.0019 -0.00094318 0.00424613 0.00260543 51
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15260 160 H 9.47047 16.2499 58.7333 -0.0032567 -0.00169159 -0.0023276 51
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15264 164 H 7.38167 15.2128 56.1417 -0.00278021 0.00473018 0.0103613 51
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15285 185 H 10.5091 9.86813 60.4995 -0.00476867 0.00160709 0.00469983 51
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15292 192 H 8.95532 11.0649 54.714 0.00361636 -0.00069275 0.00340851 51
15293 193 H 10.5928 10.6383 54.6163 0.00083773 0.00196562 0.012412 51
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15295 195 H 8.30124 8.86277 53.7728 -0.00102892 0.00213837 0.0100798 51
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15298 198 H 9.6717 8.51681 50.9476 -0.00540552 -0.0112996 0.0104128 51
15299 199 H 7.95833 8.75276 51.2469 -0.00403298 0.00621743 -0.00246041 51
15300 200 H 9.71259 10.7463 49.7601 -0.011231 0.0118782 -0.0256573 51
15301 201 H 8.68081 9.51529 49.0018 0.00552314 0.0158229 -0.0106257 51
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15303 203 H 7.79367 16.3838 61.8996 0.000767072 0.00120527 -0.00298126 51
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15308 208 H 7.26875 16.9499 59.5857 0.00136028 -0.00250851 0.0145244 51
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15310 210 H 4.30873 17.1132 58.8758 -0.0052304 -0.00436324 -0.0101941 51
15311 211 H 5.38938 18.5672 57.2862 -0.000271475 -0.00324765 -0.00762478 51
15312 212 H 6.76325 17.4089 57.148 0.00339215 -0.00984719 0.00812813 51
15313 213 H 5.10201 15.6762 56.2315 0.0106377 0.00484859 -0.000815961 51
15314 214 H 3.8853 16.9592 56.1957 -0.000844736 0.0148309 0.00285453 51
15315 215 H 5.43356 18.2567 54.604 0.0146409 -4.70992e-05 -0.0110187 51
15316 216 H 6.60297 16.986 54.7004 0.00333873 0.0106297 0.00217594 51
15317 217 H 4.94662 15.455 53.5272 0.00268665 0.00147019 0.0064965 51
15318 218 H 3.7684 16.7752 53.553 0.00375976 0.00176784 0.000643128 51
15319 219 H 5.37451 18.1297 52.2313 -0.00293938 -9.49054e-05 0.00611471 51
15320 220 H 6.50764 16.7964 52.2501 -0.00400904 0.000962818 0.00197446 51
15321 221 H 4.78649 15.3345 51.0537 0.00162159 -0.000864764 -0.000644828 51
15322 222 H 3.75148 16.7814 50.9273 -0.0052123 -0.00836305 0.00668444 51
15323 223 H 4.89089 16.3617 48.8216 0.00343663 -0.000250572 -0.00509838 51
15324 224 H 5.53979 17.873 49.5299 -0.00543209 0.0025983 0.00743867 51
15325 225 H 7.49701 16.7454 50.3507 8.16477e-06 0.0101181 -0.00671994 51
15326 226 H 6.96208 15.1374 49.7995 -0.00609929 -0.00554824 -0.00975462 51
15327 227 H 7.41768 16.4428 48.6451 0.0010509 0.00700637 0.000986142 51
15328 228 H 5.64445 20.089 81.8225 -0.00219137 0.00303513 0.0129809 51
15329 229 H 5.40899 18.3352 81.6901 -0.00236623 0.000996713 0.0101299 51
15330 230 H 6.44695 17.9163 83.835 0.00295839 0.00530834 0.00297923 51
15331 231 H 6.9218 19.6688 83.9678 0.00446306 -0.00211542 0.00377775 51
15332 232 H 4.37161 20.1521 83.9475 0.00277143 0.00285861 -0.00245961 51
15333 233 H 4.06778 18.4422 84.1498 -0.000656769 0.00197567 -0.00782824 51
15334 234 H 5.58411 20.3803 85.998 0.000375166 0.00419048 -0.0130295 51
15335 235 H 3.94717 19.8163 86.2047 0.000509835 -0.000360652 -0.00397678 51
15336 236 H 4.65234 17.5593 86.6977 0.00283213 -0.000509598 -0.00444402 51
15337 237 H 6.28797 17.8877 86.0934 -0.000873787 0.00507444 -0.00308236 51
15338 238 H 5.97928 17.5711 88.6093 -0.00742117 -0.00350326 -0.00511808 51
15339 239 H 6.7743 19.0571 88.1911 -0.00616908 0.0168186 0.0137928 51
15340 240 H 4.64289 20.3118 88.3777 0.001999 0.00307887 -0.00408563 51
15341 241 H 3.85739 18.9022 88.9958 0.00678886 -0.00848094 0.00207639 51
15342 242 H 6.38144 19.9615 90.2742 0.000317297 0.00387517 -0.00341497 51
15343 243 H 4.73104 20.6687 90.6484 -0.00551342 -0.00164177 -0.0149791 51
15344 244 H 4.16694 18.329 91.417 -0.00384701 0.00781885 -0.0128775 51
15345 245 H 5.84177 17.8395 91.1781 -0.00675289 -0.00622426 0.00322976 51
15346 246 H 6.50413 19.5369 92.8704 -0.00185764 0.00692832 0.00921508 51
15347 247 H 4.84168 20.1059 93.0176 -0.000821802 -0.00151825 -0.00426888 51
15348 248 H 4.29982 17.774 93.9237 0.00237312 -0.00831633 0.00289271 51
15349 249 H 6.02117 17.3993 93.8412 0.0143153 0.0109596 0.0133928 51
15350 250 H 4.87122 19.7857 95.4366 -0.00383261 -0.000899706 -0.0217227 51
15351 251 H 5.13735 18.1197 96.0787 0.00345392 -0.00708843 -0.00719667 51
15352 252 H 6.50415 19.058 95.5348 -0.00541839 0.0130194 0.00776881 51
15353 253 H 10.8587 23.2453 81.9194 -0.0023554 0.00535559 0.0040356 51
15354 254 H 10.833 22.2036 83.4045 -0.0171431 0.00521562 -0.0121607 51
15355 255 H 13.4456 21.8508 82.875 -0.0047169 0.00213078 0.00260495 51
15356 256 H 13.14 23.2487 81.8592 0.00299241 0.00688712 0.00460177 51
15357 257 H 14.1549 23.9333 83.9244 0.00183411 0.00180519 -0.00893953 51
15358 258 H 12.5838 24.6548 83.768 0.00595407 0.00674087 -0.00758616 51
15359 259 H 11.5725 23.1342 85.398 -0.00245382 0.0205451 0.00417467 51
15360 260 H 13.0098 22.13 85.5064 0.002184 0.00195155 -0.0040902 51
15361 261 H 14.2518 23.7295 86.668 0.000421812 -0.00724656 0.00406052 51
15362 262 H 13.3253 25.0937 86.0202 -0.0116065 -0.000325851 0.00625126 51
15363 263 H 12.3406 25.0619 88.1 -0.00377916 -0.0069364 0.00651837 51
15364 264 H 11.334 23.8446 87.2937 -0.00810181 0.0178395 0.0111478 51
15365 265 H 11.7588 22.579 89.0436 0.00233143 -0.000128348 0.00628513 51
15366 266 H 13.2475 22.1651 88.262 -0.000908619 0.00216042 -0.00745711 51
15367 267 H 14.5351 23.7048 89.6293 0.00257589 -0.00438087 0.000674969 51
15368 268 H 13.2009 24.6298 90.1415 0.00503113 0.00175957 -0.0119617 51
15369 269 H 12.2952 22.4944 91.3654 -0.00018998 0.0107767 -0.00496375 51
15370 270 H 13.8726 21.8156 91.0494 -0.0100611 -0.00385533 0.000748733 51
15371 271 H 14.9932 23.546 92.3669 -0.00111976 0.00198596 0.00786753 51
15372 272 H 13.6128 24.6193 92.3932 -0.00201928 -0.000522083 0.00934579 51
15373 273 H 12.3556 22.8032 93.7057 0.00304727 -0.00792747 0.0188548 51
15374 274 H 13.8062 21.8532 93.8382 0.00447974 0.00480453 0.0178464 51
15375 275 H 13.5856 24.7672 94.8441 -0.00195748 0.00666032 0.0202398 51
15376 276 H 13.2088 23.3188 95.8572 0.0112577 0.00485871 0.0110493 51
15377 277 H 14.8372 23.648 95.2925 0.000220593 -0.00777143 -0.00382192 51
15378 278 H 11.2626 14.6802 82.6453 0.00180988 -0.00116547 0.00315169 51
15379 279 H 13.0046 14.7656 82.222 -0.00688608 -0.00343229 -0.0192313 51
15380 280 H 11.6897 15.7445 84.7979 0.00604988 0.00376741 -0.00113941 51
15381 281 H 13.2899 16.2554 84.3965 0.0081256 -0.00374094 -0.0129967 51
15382 282 H 13.9576 13.7437 84.2539 0.00287072 -0.00820682 0.010887 51
15383 283 H 12.3807 13.3568 84.83 0.00599316 -0.00786074 0.0083757 51
15384 284 H 14.3963 14.975 86.4553 -0.00265359 0.00329403 0.00111231 51
15385 285 H 13.8747 13.3069 86.5998 -0.00705696 0.00104462 -0.000652761 51
15386 286 H 11.5285 14.0994 86.9738 -0.00373819 0.00801297 -0.000242572 51
15387 287 H 12.217 15.7503 87.1958 -0.0072565 -0.00259363 -0.0156645 51
15388 288 H 12.9263 13.3249 88.89 -0.0178137 -0.00456885 -0.00438852 51
15389 289 H 11.6903 14.5039 89.3348 -0.00934494 0.00216117 -0.0124447 51
15390 290 H 13.4621 16.3244 89.3075 0.00858514 2.04296e-05 -0.00587528 51
15391 291 H 14.5879 15.0974 88.9278 0.000530333 0.00208249 0.00260665 51
15392 292 H 14.741 15.4173 91.3326 0.00353465 0.00455118 -0.0145098 51
15393 293 H 13.9505 13.8064 90.9835 0.00552304 -0.00143983 -0.00146087 51
15394 294 H 11.7492 14.7843 91.465 -0.00140495 0.000119137 -0.00250952 51
15395 295 H 12.4302 16.3326 91.7527 0.0114328 -0.00260402 -0.00637627 51
15396 296 H 12.9357 13.8747 93.5614 -0.0139053 -0.00107677 0.0046789 51
15397 297 H 12.0879 15.3701 93.9854 0.00509966 0.00963861 0.00582009 51
15398 298 H 14.3907 16.5296 93.6405 0.0219767 -0.00289652 0.00941698 51
15399 299 H 15.0839 14.9545 93.5019 0.0110293 0.0080829 0.000228119 51
15400 300 H 14.1409 14.3837 95.8195 0.00285478 -0.00630435 -0.00458923 51
15401 301 H 13.5146 16.0701 95.9099 0.00737125 0.00781071 -0.00118162 51
15402 302 H 15.263 15.7451 95.814 0.00696337 -0.0118042 -0.00746426 51
15403 1 C 16.1975 28.8589 79.7052 -0.00262411 -0.00257427 -0.000621176 52
15404 2 C 16.2421 28.7609 78.285 -0.00517403 0.00013122 -0.000389027 52
15405 3 C 15.6639 27.6583 77.6511 -0.00215111 0.00378869 -0.00223652 52
15406 4 C 14.9386 26.7196 78.4384 0.00046341 0.00487986 0.0001341 52
15407 5 C 14.8964 26.7826 79.8437 -0.00351234 3.29531e-05 0.00118458 52
15408 6 C 15.5609 27.8823 80.4685 -0.000208443 0.00327278 0.00483676 52
15409 7 C 10.3539 25.682 79.7446 0.00187587 0.00521151 0.00447257 52
15410 8 C 10.4032 25.6549 78.363 0.00154996 0.00115287 0.00207617 52
15411 9 C 11.6309 25.5625 77.7088 -0.00050565 0.00186814 0.00290952 52
15412 10 C 12.8225 25.4615 78.4545 0.000125988 -0.000486677 -0.00193555 52
15413 11 C 12.7746 25.5013 79.8577 0.0013853 0.0036474 0.00128935 52
15414 12 C 11.5461 25.6677 80.5353 -0.000371856 -0.00274533 0.00169576 52
15415 13 C 16.2045 22.1603 79.8864 0.000303867 0.00276567 0.00386395 52
15416 14 C 16.2712 22.2413 78.5017 0.00209926 0.00485041 0.000561827 52
15417 15 C 15.7158 23.2894 77.797 0.000157244 -0.00196989 0.00102311 52
15418 16 C 14.9633 24.314 78.4988 -0.00521706 0.00213162 -5.35125e-05 52
15419 17 C 14.2506 25.4646 77.8723 -0.000769929 0.00208425 0.00158395 52
15420 18 O 15.6173 23.2089 81.9941 -1.50725e-05 0.00244241 -0.00182694 52
15421 19 O 11.3978 25.7314 81.933 0.000322446 0.00177984 0.00289394 52
15422 20 O 15.5422 28.0083 81.8399 0.0013425 -0.0033061 -0.000779094 52
15423 21 C 15.5971 23.2084 80.6079 -0.000119323 -0.0023899 0.00404085 52
15424 22 C 14.2063 25.4031 76.4003 0.00501328 0.00224995 -0.00582174 52
15425 23 C 14.0183 25.1613 75.2287 0.000656981 -0.00322761 -0.000993049 52
15426 24 C 13.781 24.7077 73.904 0.00120829 0.00119738 0.00244712 52
15427 25 C 12.799 25.3172 73.1284 0.000840128 -0.00495326 -0.00159104 52
15428 26 C 12.4567 24.7891 71.8827 0.00217695 -0.00249575 -0.00018153 52
15429 27 C 13.0869 23.6355 71.3928 0.00234158 -0.00328027 0.00345171 52
15430 28 C 14.0541 22.9796 72.1775 -0.00533677 2.3843e-05 -0.000959782 52
15431 29 C 14.3952 23.538 73.4168 -0.00306866 -0.00241688 -0.00054717 52
15432 30 C 12.7086 23.177 70.0926 0.00326687 -0.00198704 -0.00185718 52
15433 31 C 12.4459 22.8493 68.9548 0.0022868 -0.000155683 -0.000704977 52
15434 32 C 10.143 19.3852 67.4631 -0.00162579 0.000668168 -0.00402482 52
15435 33 C 10.1036 19.1515 66.0866 0.00245164 -0.000740585 0.000741507 52
15436 34 C 10.6976 20.0587 65.2309 0.000225786 -0.00800583 0.00266355 52
15437 35 C 11.3246 21.1932 65.7279 -0.00520747 0.000225446 0.000436439 52
15438 36 C 11.5014 21.3657 67.1231 -0.00445731 -0.00017566 0.00147597 52
15439 37 C 10.8729 20.4786 68.0171 -0.000606099 -0.00105265 -0.00246868 52
15440 38 C 12.3006 22.5921 67.5252 -0.00397009 -0.000611706 0.00107533 52
15441 39 C 16.0171 22.4959 66.4475 0.00124643 0.00388764 0.00351573 52
15442 40 C 15.8345 22.3477 65.0679 0.00195149 0.000564031 -0.00377184 52
15443 41 C 14.5572 22.2953 64.5152 0.00168955 -0.0052599 0.000855626 52
15444 42 C 13.4544 22.3197 65.3619 -0.00180053 -0.00437514 0.00433315 52
15445 43 C 13.619 22.4255 66.7718 -0.00548581 0.00250455 0.000197236 52
15446 44 C 14.9115 22.4335 67.3038 -0.000526527 0.0033071 0.00735829 52
15447 45 C 10.1557 25.7169 66.7137 0.000359774 0.000900877 0.000363669 52
15448 46 C 10.2106 25.7029 65.2988 0.00261178 3.25193e-05 6.89652e-05 52
15449 47 C 10.8741 24.6511 64.6602 0.000483149 -0.00337699 -0.00213537 52
15450 48 C 11.4885 23.639 65.4391 -0.00506987 0.00554358 0.00441208 52
15451 49 C 11.9844 22.3235 64.921 0.00938733 0.000192353 -0.00189814 52
15452 50 C 11.561 23.7398 66.8486 -0.000767164 0.00119141 -0.000109024 52
15453 51 C 10.8322 24.7956 67.4981 0.000848144 -0.00189454 0.00526734 52
15454 52 O 14.3423 22.2286 63.1444 0.0023384 0.00381629 0.000833023 52
15455 53 O 10.7491 19.8406 63.8772 0.000582862 0.00245054 0.00195444 52
15456 54 O 10.887 24.6329 63.2868 0.00292035 0.00180397 0.00208767 52
15457 55 C 14.1768 25.5347 80.5096 0.00498606 0.00159461 -0.00209519 52
15458 56 C 14.8866 24.267 79.9107 -0.00121127 0.00233115 0.0042112 52
15459 57 C 13.6511 21.2137 62.3727 -0.000216039 -0.000150505 0.00518884 52
15460 58 C 12.9788 22.0268 61.2453 0.00489532 -0.00224039 -0.00294865 52
15461 59 C 12.9065 21.2942 59.8854 -0.00315995 0.00108379 -0.00281865 52
15462 60 C 12.441 22.1571 58.6938 -0.0032963 0.00186675 -0.00390238 52
15463 61 C 12.6074 21.3589 57.3928 0.00129043 0.00174105 -0.000368606 52
15464 62 C 12.1318 22.1484 56.164 -0.0010536 -0.00141425 -0.00178846 52
15465 63 C 12.4318 21.3561 54.8667 0.00445061 0.00117851 0.000916552 52
15466 64 C 11.89 22.0265 53.6133 -0.00262392 -0.00334655 0.00337928 52
15467 65 C 12.3644 21.2703 52.3436 0.00374816 0.00106663 -0.000523767 52
15468 66 C 11.7278 21.7197 50.986 0.000894282 0.00224968 -0.00168149 52
15469 67 C 12.3198 21.0021 49.7751 -0.000153184 0.00281722 -0.00263081 52
15470 68 C 13.7685 21.3916 49.4597 0.000231042 0.00151102 0.00432147 52
15471 69 F 11.4939 25.4336 71.1925 -0.000201292 -5.65487e-05 0.00282435 52
15472 70 C 9.64366 19.362 63.1141 -0.00110101 0.0001949 -0.00456921 52
15473 71 C 9.98086 19.8163 61.6833 -0.00328718 0.00220739 -0.00728375 52
15474 72 C 9.15325 19.2124 60.559 0.00117595 -0.00108729 -0.0009535 52
15475 73 C 9.70302 19.5954 59.1529 1.86524e-06 0.00471735 -0.00265108 52
15476 74 C 8.71959 19.2574 58.0239 -0.0012252 -0.00308255 -0.00163876 52
15477 75 C 9.32417 19.6449 56.6597 0.000787652 -0.00396408 -0.00130649 52
15478 76 C 8.42279 19.2613 55.4654 -0.000357928 0.00303096 -0.00245578 52
15479 77 C 8.88724 19.7792 54.0867 -0.00152906 -0.003104 -0.000668577 52
15480 78 C 8.04466 19.0424 53.0215 0.0017572 0.00259513 0.000497317 52
15481 79 C 8.41283 19.3771 51.5378 -0.00317567 -4.8497e-05 0.00032718 52
15482 80 C 9.63874 18.6299 50.9644 -0.000542517 0.00628199 0.00432594 52
15483 81 C 9.73924 18.7815 49.4334 0.000156816 -0.00165478 0.00233849 52
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15710 6 C 19.487 21.1596 79.8592 0.00434037 0.00239967 0.00361762 53
15711 7 C 14.3626 18.8417 79.1261 0.00131156 -0.00401637 -0.00436499 53
15712 8 C 14.4278 18.8277 77.738 0.003404 -0.00149692 -0.00140071 53
15713 9 C 15.6603 18.7027 77.1118 -0.00488871 0.00382603 0.0022232 53
15714 10 C 16.8346 18.6432 77.9196 0.00109627 -0.000613106 -0.00403064 53
15715 11 C 16.7716 18.7417 79.34 -0.00550297 -0.000412746 0.00117956 53
15716 12 C 15.5033 18.8147 79.9494 0.000205847 0.00167148 -0.00687746 53
15717 13 C 19.9635 15.3448 79.4627 0.00325937 0.000933213 0.00183537 53
15718 14 C 19.8903 15.2531 78.0389 -0.00397847 -0.0029023 0.00452791 53
15719 15 C 19.4201 16.3314 77.2799 0.00360679 0.000778939 0.00128276 53
15720 16 C 18.9783 17.4703 78.0137 0.000763205 -0.00320426 0.00128271 53
15721 17 C 18.2808 18.6312 77.3073 0.000616548 0.00012439 0.00619628 53
15722 18 O 19.6826 16.5224 81.5639 0.00206004 -0.000967396 0.0015262 53
15723 19 O 15.2907 18.8822 81.3476 -0.000632735 0.00186959 -0.00313725 53
15724 20 O 19.401 21.432 81.2005 -0.00105999 0.000916364 0.00324893 53
15725 21 C 19.5989 16.4832 80.1496 -0.00322388 0.00144312 0.000919951 53
15726 22 C 18.2445 18.5227 75.8437 -0.00331527 -0.000132219 0.000825244 53
15727 23 C 18.1552 18.2523 74.6559 -0.00309093 -0.00204811 -0.000346009 53
15728 24 C 17.8941 17.7797 73.3175 0.00123775 -0.00196781 -0.00214908 53
15729 25 C 16.8026 18.3341 72.6379 -0.0017285 0.000124269 -0.00359868 53
15730 26 C 16.3729 17.7186 71.4761 -0.000298805 0.00291253 -0.00164282 53
15731 27 C 17.1381 16.6191 70.9516 -0.000650084 0.00173957 -0.00428107 53
15732 28 C 18.2899 16.1432 71.5878 -0.00367095 -0.00167128 -0.000889704 53
15733 29 C 18.6634 16.7025 72.8062 0.00154875 -0.00284122 0.000788271 53
15734 30 C 16.7664 16.0754 69.7076 -0.000403995 0.00161769 -0.00315405 53
15735 31 C 16.5329 15.8039 68.5465 0.00189054 0.00327475 -0.000664641 53
15736 32 C 14.7658 12.2424 66.8684 0.00418083 -0.000536213 9.1706e-06 53
15737 33 C 14.8097 12.1019 65.4672 0.000903657 -0.00152305 0.00102375 53
15738 34 C 15.2161 13.1631 64.65 -0.00490193 0.00200638 -0.00157951 53
15739 35 C 15.5424 14.3737 65.2633 -0.00109435 0.0023082 -0.00316415 53
15740 36 C 15.6385 14.4583 66.6453 -0.00336036 -0.00347876 -0.00121717 53
15741 37 C 15.2624 13.3807 67.4886 0.00132992 0.00103231 0.00201592 53
15742 38 C 16.3673 15.7203 67.0904 0.00168893 -0.00244248 0.00345641 53
15743 39 C 20.1112 15.5622 66.1308 -0.0001967 0.00161371 0.000369028 53
15744 40 C 20.0183 15.5042 64.7211 0.001602 0.00348517 0.000915659 53
15745 41 C 18.7424 15.4926 64.1782 -3.35522e-05 0.00176829 -0.00289091 53
15746 42 C 17.6031 15.626 64.983 -0.000420492 -0.00219915 0.00545112 53
15747 43 C 17.7273 15.7183 66.367 0.00126621 0.00187777 0.00287924 53
15748 44 C 19.0132 15.7187 66.9697 -0.00493387 0.000466732 -0.00634763 53
15749 45 C 14.2033 18.8096 66.4956 -0.00399262 0.00262021 0.00475454 53
15750 46 C 14.2043 18.8548 65.0838 -0.00200638 -0.00369129 -0.00329621 53
15751 47 C 14.8337 17.8148 64.3347 0.00267245 0.00347793 0.00344008 53
15752 48 C 15.509 16.8011 65.0438 0.000721597 -0.00341965 -0.00128336 53
15753 49 C 16.1646 15.5369 64.478 -0.00276976 7.64718e-05 -8.78829e-05 53
15754 50 C 15.609 16.8615 66.4728 -0.00143967 -0.000813228 0.00140806 53
15755 51 C 14.8947 17.8184 67.2367 0.00145774 0.00142675 -0.000446908 53
15756 52 O 18.6634 15.433 62.8087 -0.00118874 0.0014687 0.00472976 53
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15758 54 O 14.6754 17.8023 62.9627 -0.0013256 0.00167372 -0.00105855 53
15759 55 C 18.2138 18.8437 79.9789 -0.0019997 -0.00164324 -0.000692398 53
15760 56 C 18.9774 17.5477 79.4217 0.00283152 0.00792952 -0.00212616 53
15761 57 C 18.2472 16.6549 62.163 -0.00129924 0.00143398 -0.00412853 53
15762 58 C 17.615 16.3233 60.819 0.00171097 0.000281922 0.000538299 53
15763 59 C 18.5383 16.018 59.6482 -0.00281559 -0.00193614 0.000413261 53
15764 60 C 18.2277 14.7023 58.9113 0.000409089 0.00185115 0.00142754 53
15765 61 C 16.7942 14.5185 58.3687 0.000620474 0.00116715 -0.00356569 53
15766 62 C 16.5241 15.1655 56.9779 -0.000159423 0.00110006 -0.00383496 53
15767 63 C 17.3084 14.4489 55.8125 0.00154581 0.00287469 0.000262297 53
15768 64 C 16.9532 15.1601 54.4839 -2.16299e-05 -0.00206087 0.00129629 53
15769 65 C 17.6844 14.5098 53.3002 -0.00719502 -0.00659409 0.0021172 53
15770 66 C 17.2607 15.1246 51.9509 -0.00189956 0.00041755 -0.000680345 53
15771 67 C 18.026 14.5461 50.7797 -0.00293595 0.00188014 -0.000119683 53
15772 68 C 17.5334 15.2247 49.4649 0.00312834 -0.000428946 0.000346148 53
15773 69 F 15.3909 18.2899 70.7936 -0.000420814 0.00270718 -0.0012702 53
15774 70 C 16.1685 12.0279 62.7585 0.00380679 0.000490144 0.000718896 53
15775 71 C 16.7787 12.6292 61.4983 0.000468239 -2.63987e-05 0.00092249 53
15776 72 C 16.9891 11.6066 60.3732 -0.000508797 -0.00118476 -0.000454841 53
15777 73 C 17.33 10.1683 60.8598 -0.00011171 -0.00434761 0.000934884 53
15778 74 C 18.1554 9.47068 59.7347 0.00121071 -0.00217295 -0.00267549 53
15779 75 C 17.3395 9.26591 58.4464 -0.00216086 0.000505753 0.00218245 53
15780 76 C 17.6797 10.1957 57.284 -0.00138864 0.000715673 0.00189485 53
15781 77 C 16.919 9.68224 56.04 -0.00288803 -0.00341392 -0.00223522 53
15782 78 C 17.4713 10.3441 54.7369 0.000598942 -0.000266991 -0.00253881 53
15783 79 C 16.8656 9.66574 53.5111 -0.000334267 0.00291913 0.000897286 53
15784 80 C 17.4118 10.2904 52.2238 -0.00681978 -0.000566089 -0.00208384 53
15785 81 C 16.8461 9.64549 50.981 -0.00666149 0.000964586 -0.00301696 53
15786 82 C 13.4129 17.3926 62.4519 -0.00258102 0.00525421 -0.0024239 53
15787 83 C 13.2999 17.8257 60.9913 -0.00364699 0.00766932 0.00392982 53
15788 84 C 14.0468 16.9002 60.0516 0.00308972 -0.00102478 0.00153424 53
15789 85 C 14.0269 17.2944 58.5726 -0.0017186 0.000798279 0.000458103 53
15790 86 C 12.7262 16.8278 57.829 -0.00296546 -0.00240647 0.00289646 53
15791 87 C 12.9056 17.0975 56.3189 0.00755258 0.000181296 -0.00392041 53
15792 88 C 11.7633 16.6059 55.4192 -0.00303407 -0.00489603 0.00322657 53
15793 89 C 11.8591 17.1871 53.9918 -0.00119526 -0.000993719 -0.00253834 53
15794 90 C 13.0026 16.5657 53.1439 0.00280661 -0.00150777 -0.00249124 53
15795 91 C 13.0714 17.213 51.7477 -0.00265261 0.00409361 0.00140675 53
15796 92 C 14.2544 16.7444 50.8786 5.25766e-05 0.000359782 -0.000853368 53
15797 93 C 14.1923 17.3488 49.4629 0.00347322 0.00280589 0.000280641 53
15798 94 C 13.9408 19.0911 81.8544 -0.00366367 -0.000869975 -0.00398595 53
15799 95 C 13.8933 18.9114 83.3597 0.00202033 0.00134882 -5.4067e-05 53
15800 96 C 12.5202 19.248 83.9351 -0.00192845 0.00294957 0.00139631 53
15801 97 C 12.2644 18.8626 85.4341 4.51672e-06 -0.0031418 -0.000610943 53
15802 98 C 13.2981 19.2413 86.4737 -0.00141195 0.00186453 0.00615536 53
15803 99 C 12.6872 18.9113 87.8796 -0.00224388 -0.00156962 0.00310868 53
15804 100 C 13.5844 19.192 89.0839 -0.00341675 0.00177611 0.00368213 53
15805 101 C 12.7357 19.1026 90.3971 0.00180104 -0.00396017 0.000696138 53
15806 102 C 13.4813 18.9925 91.7253 -0.0038824 -0.000953237 0.00124961 53
15807 103 C 12.5017 19.3031 92.9231 -0.00279269 0.0026968 0.00353946 53
15808 104 C 12.8774 18.8311 94.3418 0.00144371 -0.00354234 0.00275352 53
15809 105 C 14.3313 19.0485 94.7252 0.000915083 0.000633518 0.00182364 53
15810 106 C 19.7769 22.7404 81.7122 0.00165432 0.00062929 0.00148726 53
15811 107 C 19.7592 22.6556 83.2499 -0.000401448 0.00272738 0.00279579 53
15812 108 C 20.3698 23.7545 84.1297 0.00273189 0.000738018 -0.00350602 53
15813 109 C 20.511 23.2436 85.5931 0.000843938 -0.000162331 0.00358556 53
15814 110 C 20.7362 24.3047 86.6462 -0.00102582 0.0014007 0.00407027 53
15815 111 C 21.0718 23.5801 88.0025 -0.00244083 0.0011826 0.00325603 53
15816 112 C 20.7343 24.3701 89.2353 -0.00237336 2.8463e-05 0.00159788 53
15817 113 C 21.0923 23.5439 90.4986 -0.000273679 -0.00148376 0.00336702 53
15818 114 C 20.6202 24.1909 91.8011 0.000578106 -0.000723642 0.000400193 53
15819 115 C 20.8437 23.211 92.9731 -0.00487331 0.00416009 -0.000584262 53
15820 116 C 20.6502 23.905 94.3555 -0.000553486 -0.00209358 0.000877192 53
15821 117 C 21.2314 23.0505 95.5115 -1.24774e-05 -0.00194986 0.000382857 53
15822 118 C 20.1571 15.3286 82.2608 0.00236119 0.000382336 -0.00328813 53
15823 119 C 20.4069 15.4786 83.8001 -0.00136009 0.00117023 0.00383959 53
15824 120 C 21.1887 14.2935 84.3984 0.000279818 -0.000151293 -0.000998896 53
15825 121 C 21.554 14.5541 85.8737 0.00195459 0.0029482 0.000710919 53
15826 122 C 20.5654 14.1626 86.9113 -0.000885226 -0.00210264 0.00321974 53
15827 123 C 21.3172 14.2748 88.2001 0.00204907 -0.00295847 -0.00144205 53
15828 124 C 20.5201 13.9815 89.4939 0.000529187 0.00382359 0.000439823 53
15829 125 C 21.3152 14.2527 90.7528 -0.00513756 0.00464603 -0.00421229 53
15830 126 C 20.5218 14.0221 92.0568 0.00174845 -0.00473778 0.00280613 53
15831 127 C 21.3607 14.4086 93.3583 -0.00470165 0.0010424 -0.00432686 53
15832 128 C 20.5707 14.0775 94.6495 0.000895322 -0.00139249 0.00131134 53
15833 129 C 21.3958 14.4628 95.9081 0.000888716 0.0012467 -0.000652366 53
15834 130 F 16.1541 19.4171 73.1766 -0.00236219 0.000611383 0.00145038 53
15835 131 H 20.4464 23.0459 79.4028 0.00741933 -0.00517076 0.000492713 53
15836 132 H 20.7559 22.6019 76.9865 0.00772167 -0.0122974 -0.00382398 53
15837 133 H 19.7853 20.6598 75.9821 0.00719634 -0.0100104 0.00368986 53
15838 134 H 13.3559 18.9621 79.5153 0.0104782 0.00503318 0.0165251 53
15839 135 H 13.5377 18.9136 77.1218 -9.66722e-05 -0.00448585 0.00325216 53
15840 136 H 15.7287 18.6176 76.0313 -0.00515993 0.000669933 0.00245146 53
15841 137 H 20.2342 14.4322 79.9854 -0.0123035 -0.00605832 -0.00225445 53
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15844 140 H 18.9234 15.3667 71.1693 -0.0180082 -0.014977 0.00216254 53
15845 141 H 19.5142 16.3502 73.3819 0.00347393 0.00525194 0.00291843 53
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15847 143 H 14.5578 11.1404 65.0298 0.0156261 -0.00240892 -0.00552601 53
15848 144 H 15.3058 13.4416 68.572 0.00206534 -0.00396003 0.00226469 53
15849 145 H 21.0601 15.5833 66.6587 -0.00166852 -0.0137312 0.00360712 53
15850 146 H 20.9221 15.4474 64.1216 0.00125053 -0.00075305 0.000791402 53
15851 147 H 19.1588 15.8052 68.0424 -0.000131247 -0.00656055 -0.0064355 53
15852 148 H 13.6816 19.5985 67.0293 -0.000298843 0.00798858 0.000443317 53
15853 149 H 13.6007 19.6039 64.5799 0.00331838 -0.00792923 -0.0159832 53
15854 150 H 15.9648 15.4557 63.4024 0.00582445 -0.0138991 -0.00060366 53
15855 151 H 14.8969 17.8222 68.3227 0.0146617 -0.00828135 -0.000431587 53
15856 152 H 18.1853 18.9331 81.0719 -0.0192057 -0.00360714 -0.000968465 53
15857 153 H 17.4888 17.1272 62.7995 0.000524034 0.00169564 -0.00214842 53
15858 154 H 19.1084 17.321 62.0286 0.00228157 -2.9583e-05 0.0115321 53
15859 155 H 17.0907 17.2245 60.478 0.0054384 0.00395019 0.00452324 53
15860 156 H 16.8282 15.5749 60.9749 -0.00742253 0.0109618 0.0058191 53
15861 157 H 19.5741 15.8661 59.976 -0.00808881 0.00387199 0.0196389 53
15862 158 H 18.5154 16.9035 59.001 0.0230913 0.00143065 0.00414133 53
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15867 163 H 16.7995 16.2269 57.0103 0.0142191 -0.00296031 0.00703157 53
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15870 166 H 18.3942 14.5722 55.9097 0.00398231 -0.0103158 -0.0100459 53
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15873 169 H 17.4756 13.4329 53.2842 0.0097848 -0.00986947 0.000559419 53
15874 170 H 18.7713 14.5785 53.4318 -0.00626953 -0.00885375 -0.00433784 53
15875 171 H 17.3278 16.2163 52.0355 0.00287853 0.000406371 -0.00450475 53
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15900 196 H 17.1709 8.61207 53.5142 0.0156009 0.00756468 0.0166569 53
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15910 206 H 13.6339 18.8561 60.8178 0.0190629 0.000812886 0.00707036 53
15911 207 H 15.0844 16.8482 60.4039 0.00533498 0.00303036 -0.00449386 53
15912 208 H 13.6711 15.8752 60.1598 -0.00196243 -0.000886031 -0.0146131 53
15913 209 H 14.126 18.3829 58.4793 0.0135457 -0.000680757 -0.000553869 53
15914 210 H 14.9279 16.8708 58.1121 0.000376921 0.00567349 6.76441e-05 53
15915 211 H 12.541 15.7615 58.0082 -0.00934372 -0.00159946 0.0011136 53
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15917 213 H 13.0376 18.1804 56.2031 -0.017035 0.00404328 0.00418673 53
15918 214 H 13.8499 16.622 56.0262 0.00679138 -0.00935177 0.0090523 53
15919 215 H 11.7762 15.5093 55.3906 -0.00380599 -0.00497902 0.0059841 53
15920 216 H 10.7914 16.8856 55.8442 -0.00474936 -0.00626121 0.00021001 53
15921 217 H 10.9093 16.9821 53.4827 -0.0077628 0.00176353 0.00860121 53
15922 218 H 11.9298 18.2809 54.038 0.00616591 -0.00138782 -0.00464258 53
15923 219 H 13.9432 16.6956 53.6933 0.00126349 -0.0068594 0.00143116 53
15924 220 H 12.8329 15.4843 53.0734 -0.000326182 -4.95787e-05 -0.0170673 53
15925 221 H 12.1407 17.0027 51.2065 0.00481072 -0.00569107 -0.0076253 53
15926 222 H 13.1064 18.3044 51.8528 0.00154182 0.00434731 -0.00265105 53
15927 223 H 15.2108 17.0393 51.3276 0.00245802 0.0015578 -0.00675082 53
15928 224 H 14.2915 15.6509 50.7983 -0.0147099 9.85868e-05 -0.00386081 53
15929 225 H 14.2901 18.4411 49.4894 0.0172714 0.00166426 -0.00338744 53
15930 226 H 14.9911 16.9638 48.817 -0.0040269 -0.00808632 -0.00247793 53
15931 227 H 13.1927 17.1255 49.07 0.00508415 0.00406759 -0.00450624 53
15932 228 H 13.6067 20.1061 81.6064 0.00602393 0.00833105 0.0205485 53
15933 229 H 13.2192 18.3814 81.4313 0.00353798 -0.0135687 0.00503504 53
15934 230 H 14.169 17.8731 83.5818 0.00433524 0.00218157 0.00096502 53
15935 231 H 14.6396 19.5633 83.8303 -0.000682007 0.00645321 -0.00283534 53
15936 232 H 12.4087 20.3384 83.9785 -0.0171872 0.00129793 0.00371572 53
15937 233 H 11.7001 18.8207 83.3451 -0.00628514 0.00180326 0.00825772 53
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16311 3 C 27.2976 20.9032 77.8447 0.00058961 0.00310218 0.000225929 55
16312 4 C 26.7695 19.8972 78.7301 0.00107978 0.0060714 -0.00214362 55
16313 5 C 26.6911 20.1213 80.1146 -0.000812178 0.000963563 0.00259816 55
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16315 7 C 22.2254 18.7448 80.0622 0.00406873 0.00439067 0.00258343 55
16316 8 C 22.2793 18.5066 78.6619 0.00361585 0.00108212 0.00394136 55
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16320 12 C 23.3834 18.9734 80.8188 -0.00115852 -0.00295955 -0.000964629 55
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16332 24 C 25.7932 17.6609 74.3612 -0.00324304 0.00151813 0.00339628 55
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16337 29 C 25.001 18.5076 73.6006 0.0038148 0.00170268 0.000417386 55
16338 30 C 24.1748 16.3005 70.802 -0.00171499 -0.000294609 0.00110206 55
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16340 32 C 22.1378 12.4168 67.9489 0.00148786 0.000295709 0.00152613 55
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16358 50 C 23.1417 17.0211 67.5564 -0.000837921 -0.000154237 0.00100048 55
16359 51 C 22.4932 18.123 68.1688 -0.000439809 -0.00354987 0.00145846 55
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16364 56 C 26.7925 17.6196 80.4492 0.00185887 -0.000214655 -3.78153e-05 55
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16369 61 C 24.4297 15.0533 58.1703 -0.0041656 0.00071599 -0.00198172 55
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16390 82 C 21.5242 18.0541 63.0963 0.00193673 -0.00364294 0.00616735 55
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16622 12 C 27.1406 25.706 80.7594 0.001239 -0.00012707 -0.000207026 56
16623 13 C 31.8825 22.2866 80.0984 -0.00906999 0.00287874 0.00284815 56
16624 14 C 31.8644 22.2396 78.7008 -0.000621784 -0.00614706 0.00191147 56
16625 15 C 31.1637 23.223 78.0122 0.00185007 0.00276465 0.00571992 56
16626 16 C 30.5498 24.2628 78.7079 -0.000848008 0.000901675 0.00489083 56
16627 17 C 29.8266 25.4443 78.0469 -3.0684e-05 -0.00377847 0.00279718 56
16628 18 O 31.301 23.2871 82.2942 -0.00166882 0.00153731 0.00466823 56
16629 19 O 27.046 25.8732 82.1593 -0.00367248 0.00264966 0.00279319 56
16630 20 O 30.8067 27.8984 82.1203 -0.000396332 0.000178569 0.00185707 56
16631 21 C 31.2208 23.2837 80.8626 0.00244871 0.00245246 -0.00102163 56
16632 22 C 29.7629 25.3445 76.5997 -0.00191164 -0.000293742 -0.00280643 56
16633 23 C 29.537 25.118 75.4286 -0.00437663 0.00387467 -0.0014998 56
16634 24 C 29.2252 24.7362 74.1071 -0.00575836 -0.000287083 0.000631823 56
16635 25 C 27.9958 25.1179 73.5179 0.00220819 -0.0012512 0.000204546 56
16636 26 C 27.6117 24.5523 72.3202 0.000486512 -0.00322719 0.00450295 56
16637 27 C 28.4259 23.5871 71.7091 0.00208271 -0.000999491 -0.00147104 56
16638 28 C 29.6684 23.2415 72.2334 -0.00162863 -0.00362276 -0.00139665 56
16639 29 C 30.0404 23.7487 73.4866 -0.00291869 0.00322426 0.000399496 56
16640 30 C 28.1766 23.0625 70.3848 0.00645834 -0.0027231 0.00503727 56
16641 31 C 27.9548 22.741 69.2333 0.000908586 -0.00266436 -0.00142999 56
16642 32 C 25.8719 19.2636 67.5235 0.00150072 0.00434791 0.00376589 56
16643 33 C 25.831 19.1538 66.1315 0.000818526 0.00356557 -0.000166067 56
16644 34 C 26.4657 20.1471 65.3461 -0.00186043 0.0022696 0.0020479 56
16645 35 C 27.039 21.2847 65.9411 0.00452023 -0.000151535 -0.00443955 56
16646 36 C 27.0964 21.3428 67.3483 -0.00582064 0.00340297 0.000880697 56
16647 37 C 26.4972 20.3673 68.1327 0.00221541 -0.0015604 -0.000162039 56
16648 38 C 27.8594 22.5569 67.8138 0.000987028 -0.00145525 0.00257152 56
16649 39 C 31.6472 22.6469 66.9472 0.000369353 -0.00154924 0.00033161 56
16650 40 C 31.5613 22.7346 65.5683 -0.00219909 -0.00195971 -0.0077212 56
16651 41 C 30.3065 22.6622 64.9472 0.000228913 0.00130931 -0.00081605 56
16652 42 C 29.1677 22.5018 65.7051 -0.00364399 -0.00281214 0.000253138 56
16653 43 C 29.2246 22.5116 67.1228 0.000983448 -0.00540952 -0.0041177 56
16654 44 C 30.5108 22.5222 67.7253 -0.00224044 -0.00262859 -0.00485918 56
16655 45 C 25.9861 25.8807 67.1562 0.00270378 0.00663874 0.00142131 56
16656 46 C 25.97 25.8378 65.7695 -0.00109566 -0.00337518 -0.000223902 56
16657 47 C 26.5179 24.7675 65.0418 0.00158897 0.000225946 0.00229579 56
16658 48 C 27.0814 23.7063 65.7662 0.00317912 0.000603873 0.00382637 56
16659 49 C 27.7389 22.4401 65.1804 -0.00270123 0.00253241 -0.00131949 56
16660 50 C 27.0878 23.7291 67.1705 -0.00264017 0.00158793 -0.00029227 56
16661 51 C 26.4784 24.7834 67.8563 0.00103816 0.00259342 0.000143881 56
16662 52 O 30.0963 22.8116 63.6193 0.00230489 -0.00187617 -0.00299332 56
16663 53 O 26.567 20.1034 63.9635 -0.00304922 0.00361924 -0.0011186 56
16664 54 O 26.4881 24.901 63.6487 0.00177238 -0.0018685 -0.00298509 56
16665 55 C 29.7877 25.5352 80.7097 -0.00174204 0.00199896 0.000968287 56
16666 56 C 30.5133 24.2715 80.1211 -0.0035676 0.00361412 0.00268145 56
16667 57 C 30.3663 21.709 62.7646 -0.00267185 0.0050039 0.000953345 56
16668 58 C 29.4742 21.9727 61.5184 0.00322744 -0.000378489 0.00481949 56
16669 59 C 30.0741 21.4155 60.2203 -0.001369 -0.00206156 0.00124548 56
16670 60 C 29.2056 21.8608 59.0497 -0.000484754 -0.00187148 -0.00197399 56
16671 61 C 29.7247 21.3762 57.6495 0.00199603 -0.00131472 -0.000831336 56
16672 62 C 28.7211 21.6093 56.5184 0.000254378 0.00203321 -0.00108507 56
16673 63 C 29.2558 21.3586 55.1409 0.00148013 -0.00745142 0.00614532 56
16674 64 C 28.1767 21.5687 54.0565 -0.00193451 0.00109729 0.00038289 56
16675 65 C 28.8709 21.7401 52.6849 -0.000618426 -0.000583063 0.00348363 56
16676 66 C 27.9036 21.6755 51.489 0.00286779 0.000316104 -0.00260231 56
16677 67 C 28.643 21.9527 50.1175 0.00146076 0.00444371 -0.000630704 56
16678 68 C 27.6647 21.7913 48.9877 -0.000626082 -0.000867187 0.000405047 56
16679 69 F 26.467 24.9131 71.6672 -0.000685163 0.00111377 -0.00266553 56
16680 70 C 25.361 19.9819 63.2012 -0.003125 0.000521568 -0.00253299 56
16681 71 C 25.4398 21.0663 62.1628 -0.000322597 0.00421705 0.000826899 56
16682 72 C 25.9122 20.6234 60.7747 -0.00274684 -0.00119408 0.00083492 56
16683 73 C 24.9287 19.692 60.0253 -0.00195151 0.000729814 -0.00329705 56
16684 74 C 25.2868 19.4388 58.538 -0.00623617 0.00198093 0.00149398 56
16685 75 C 25.0662 20.6233 57.6385 -0.001744 -0.00239899 0.00490581 56
16686 76 C 25.0116 20.1707 56.1488 0.00382718 0.000295007 0.000815764 56
16687 77 C 24.2083 21.1302 55.254 0.00166303 -0.000672929 0.00207076 56
16688 78 C 23.785 20.6515 53.8442 0.00120886 0.00186508 0.000507022 56
16689 79 C 24.9519 20.4974 52.8464 0.00135906 0.000451022 0.00138715 56
16690 80 C 24.5294 20.1008 51.4293 0.00480898 -0.00204744 0.00201497 56
16691 81 C 23.7296 18.7618 51.3974 -0.00292346 0.00132284 0.00129325 56
16692 82 C 27.6433 24.6892 62.8158 -0.000819451 -0.000248849 0.00116818 56
16693 83 C 27.8616 25.8294 61.8055 0.00217621 -0.00543363 -0.00130763 56
16694 84 C 27.6925 25.3916 60.3143 0.000691658 0.000770145 0.0024757 56
16695 85 C 28.5592 26.172 59.3133 0.00174515 0.00305781 -0.00652804 56
16696 86 C 28.222 25.8187 57.8248 -0.00279859 -0.00118318 0.00206887 56
16697 87 C 29.3454 26.3157 56.857 -0.00305051 0.000818562 -0.00380157 56
16698 88 C 28.964 26.3219 55.3625 -0.00226879 -0.00183193 0.00253384 56
16699 89 C 28.515 24.9715 54.7717 -0.000395181 -0.00191887 0.0031034 56
16700 90 C 27.8634 25.2463 53.3854 -0.00106255 0.00267051 -0.000229357 56
16701 91 C 28.8801 25.6302 52.2778 0.00213454 -0.000432121 0.000692309 56
16702 92 C 28.1502 25.7282 50.9149 0.00322386 -0.00368812 0.00626896 56
16703 93 C 29.1168 26.1287 49.8639 0.00194533 -1.04783e-06 -0.00231748 56
16704 94 C 25.7457 25.9891 82.7782 0.00197427 -0.00152793 -0.00109533 56
16705 95 C 25.7918 25.8576 84.2887 -0.00476743 -0.00086778 -0.00152074 56
16706 96 C 24.3677 26.1105 84.8992 -0.00268093 0.00215262 0.000675392 56
16707 97 C 24.3384 26.3785 86.4157 -0.00482235 -0.000673821 0.00172118 56
16708 98 C 24.8547 25.1773 87.2602 -0.00180159 -0.000420394 -0.0034375 56
16709 99 C 24.5545 25.2862 88.7662 -0.00336355 -0.00199595 0.00038947 56
16710 100 C 24.9648 26.5979 89.4001 0.00225969 -0.000128048 0.00307794 56
16711 101 C 25.4663 26.4377 90.8069 -0.000312744 0.00639069 -0.00419299 56
16712 102 C 24.3777 26.0638 91.881 -0.00131372 0.000797576 0.0017109 56
16713 103 C 25.0431 25.8559 93.2756 0.000316644 -0.000251944 -0.0025531 56
16714 104 C 24.0759 25.4909 94.394 -0.00200776 -0.00380143 0.000201932 56
16715 105 C 24.7408 25.0893 95.7031 0.00379798 0.0020039 -0.000118502 56
16716 106 C 30.8058 29.092 82.882 -0.000802804 0.00281195 -5.31454e-05 56
16717 107 C 32.2594 29.5436 83.1484 0.000233393 -0.00254469 -0.0015811 56
16718 108 C 32.4715 30.3908 84.4236 3.438e-05 0.00553167 0.00183029 56
16719 109 C 32.2182 29.6711 85.7767 7.08492e-05 0.00152025 -0.00129909 56
16720 110 C 32.3658 30.6624 86.9698 0.000269956 0.00012137 -0.000805571 56
16721 111 C 32.4742 29.8695 88.3148 3.98314e-05 0.00492503 -0.00318595 56
16722 112 C 32.5435 30.7564 89.5953 -0.00500675 0.000154458 0.00294239 56
16723 113 C 32.5458 29.9094 90.8899 -0.0023612 0.00371632 -0.00104796 56
16724 114 C 32.4915 30.7074 92.2269 -0.00315217 -0.00198402 -0.000500697 56
16725 115 C 32.6318 29.7431 93.4328 0.00301625 -0.00190365 -0.00105479 56
16726 116 C 32.5268 30.4664 94.7863 -0.00369234 -0.00106191 -0.000995242 56
16727 117 C 32.8436 29.5518 95.9511 -0.00157925 0.00365816 -0.00142081 56
16728 118 C 32.2634 22.4098 82.8973 0.00204137 0.000877811 0.000251877 56
16729 119 C 32.2192 22.1968 84.4076 0.0049431 -0.000756892 0.00154047 56
16730 120 C 32.8034 20.823 84.8193 -0.00221021 -0.000401775 5.93442e-05 56
16731 121 C 33.4459 20.7651 86.2031 -0.00186396 -0.000228701 -0.00102635 56
16732 122 C 32.6921 21.5545 87.295 0.0020079 0.00185552 -0.00419859 56
16733 123 C 33.2369 21.1337 88.6798 -0.00099955 0.00596776 -0.000398902 56
16734 124 C 32.7168 22.1705 89.6961 -0.000206999 -0.00260632 -0.00102247 56
16735 125 C 33.216 21.8991 91.1017 0.0016189 -0.0013849 -0.00197685 56
16736 126 C 32.4309 20.821 91.8874 -0.00406114 0.00138166 -0.00141607 56
16737 127 C 32.914 20.6293 93.3414 -0.00209135 0.00312456 0.00094757 56
16738 128 C 32.95 21.9146 94.2093 0.00394759 0.000640632 0.00344903 56
16739 129 C 33.3821 21.6657 95.6753 0.000960424 -0.00122774 -0.00592133 56
16740 130 F 27.1695 25.9952 74.0966 -0.000153335 -0.00234953 -0.00341492 56
16741 131 H 31.9973 29.7566 80.4493 0.00153796 -0.00308702 -0.00166149 56
16742 132 H 32.1121 29.5955 78.0164 -0.0110653 0.0141279 0.0117699 56
16743 133 H 31.1577 27.6416 76.8379 -0.0186194 0.00375479 6.79761e-05 56
16744 134 H 24.9543 25.6517 80.444 -0.00148976 -0.003602 0.00355826 56
16745 135 H 25.1173 25.4128 78.015 -0.00565022 0.0114726 0.0037854 56
16746 136 H 27.2514 25.2484 76.8427 0.0150362 -0.0153574 0.00461252 56
16747 137 H 32.3908 21.4479 80.5649 -0.00684889 0.00553604 0.00519573 56
16748 138 H 32.3872 21.472 78.138 -0.0029024 0.00130319 -0.0103912 56
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16750 140 H 30.3192 22.6067 71.6393 0.00326998 0.00875062 -0.00929568 56
16751 141 H 30.966 23.3955 73.9314 -0.00495306 -0.00363325 -0.000797913 56
16752 142 H 25.4063 18.4846 68.12 0.00556023 -0.00443157 -0.00451595 56
16753 143 H 25.4308 18.2578 65.6664 0.00184366 0.00329101 -0.000522457 56
16754 144 H 26.5671 20.4404 69.214 -0.00818506 -0.000717066 0.000445464 56
16755 145 H 32.6334 22.6692 67.4014 0.00229453 -0.00956274 -0.00344227 56
16756 146 H 32.4482 22.7873 64.9439 0.00418896 -0.0104032 0.000644704 56
16757 147 H 30.6 22.4464 68.805 -0.0191542 0.00434238 -0.00295712 56
16758 148 H 25.6332 26.7766 67.6584 -0.00714352 0.008814 -0.00933871 56
16759 149 H 25.5946 26.6839 65.2015 -0.0112666 -0.00357753 0.00621826 56
16760 150 H 27.6492 22.3908 64.0881 0.0170968 0.01282 -0.00341191 56
16761 151 H 26.4869 24.8377 68.9409 -0.00499878 -0.00169619 0.000401888 56
16762 152 H 29.7164 25.5279 81.8044 0.00228708 -0.00226417 0.00120056 56
16763 153 H 31.4421 21.7038 62.5502 -0.0035569 -0.00364647 -0.00325109 56
16764 154 H 30.038 20.7686 63.2243 0.00995844 -0.00105921 -0.00247405 56
16765 155 H 29.3622 23.0588 61.4124 0.00635598 0.000209289 0.0074849 56
16766 156 H 28.4726 21.5616 61.6951 -0.00106546 0.00347582 -0.01057 56
16767 157 H 30.129 20.3199 60.2128 0.01593 -0.00119554 0.00474016 56
16768 158 H 31.0706 21.8474 60.0658 -0.000935355 -0.000493447 0.00844696 56
16769 159 H 29.2193 22.9559 58.9873 -0.0119369 -0.00170337 -0.00127341 56
16770 160 H 28.181 21.5275 59.2563 0.00551959 -0.0200181 -0.0014542 56
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16772 162 H 30.6951 21.8524 57.4627 0.00553696 -0.0155355 -0.0185452 56
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16775 165 H 29.5515 20.3026 55.1114 0.00741635 -0.00530441 -0.0106829 56
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16778 168 H 27.4529 20.7444 54.0575 -0.00439157 0.00325368 0.00752509 56
16779 169 H 29.643 20.9738 52.5434 0.00163938 0.00460225 -0.012372 56
16780 170 H 29.3717 22.7161 52.6902 0.00960122 -0.0058187 0.00143781 56
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16782 172 H 27.4504 20.6765 51.4773 -0.0102156 0.00620222 0.00194958 56
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16786 176 H 27.1765 20.8095 49.0216 0.0073968 -0.00440144 0.0129991 56
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16790 180 H 24.4521 21.5069 61.9787 -0.00433443 -0.00629462 -0.00291682 56
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16801 191 H 24.5736 19.1665 56.0944 0.00844577 -0.00169902 0.000348767 56
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16810 200 H 22.6609 19.0039 51.4505 -0.000903221 0.0121463 -0.0071178 56
16811 201 H 23.8525 18.1941 50.4668 0.0152261 0.00609051 0.000800264 56
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16813 203 H 28.4961 24.644 63.5043 -0.0081168 -0.0167826 0.00915223 56
16814 204 H 27.5707 23.7286 62.291 0.00123246 0.00397379 -0.00685112 56
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16816 206 H 28.8394 26.3078 61.9417 -4.93518e-05 -0.004304 0.0105964 56
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16818 208 H 26.6437 25.5658 60.0441 -0.000546879 0.00352648 0.00906328 56
16819 209 H 28.4506 27.2454 59.5117 -4.83409e-05 -0.000400344 0.0112866 56
16820 210 H 29.6116 25.9172 59.489 -0.00151108 -0.0101703 -0.0061934 56
16821 211 H 28.1774 24.7266 57.7316 -0.00452811 -0.000461666 -0.00552373 56
16822 212 H 27.2464 26.2227 57.5277 -0.00668201 0.000722465 0.0174148 56
16823 213 H 29.6701 27.3031 57.2077 -5.72475e-05 -0.00163976 0.000365517 56
16824 214 H 30.2047 25.6434 56.9706 4.84666e-05 0.0058088 0.00224935 56
16825 215 H 28.1499 27.0497 55.258 0.00271983 0.0039814 0.00408544 56
16826 216 H 29.821 26.7432 54.8227 0.00144887 -0.0103182 0.00182972 56
16827 217 H 29.3439 24.2614 54.6621 0.00985169 0.00987562 0.00423128 56
16828 218 H 27.7356 24.5336 55.4075 -0.00835799 0.00126681 -0.00444324 56
16829 219 H 27.4357 24.3059 53.0166 0.00645459 -0.00218012 0.00337417 56
16830 220 H 27.0809 26.0067 53.4999 0.0108381 0.0143005 0.00401629 56
16831 221 H 29.3837 26.5631 52.5597 0.0102325 -0.00239505 -0.00729825 56
16832 222 H 29.6763 24.8829 52.1732 0.00344592 0.000887434 0.00124377 56
16833 223 H 27.7271 24.7395 50.6983 0.00472562 -0.000793728 -0.00973796 56
16834 224 H 27.2484 26.3505 50.9682 -0.000915192 -0.00828403 -0.010041 56
16835 225 H 30.0042 25.4856 49.814 0.00380305 0.0022325 0.00209244 56
16836 226 H 28.5965 25.9986 48.9069 0.00275249 -0.00516514 -0.00205802 56
16837 227 H 29.4029 27.1848 49.9421 -0.00601991 0.00205014 -0.000832683 56
16838 228 H 25.3094 26.9572 82.5025 0.00921197 0.00334136 0.00455579 56
16839 229 H 25.09 25.2115 82.3673 0.0111955 -0.0146401 0.00905044 56
16840 230 H 26.1589 24.8692 84.5916 0.00489181 0.00146292 -0.00563273 56
16841 231 H 26.4604 26.6093 84.7263 -0.00745519 0.000617855 5.0788e-05 56
16842 232 H 23.9461 27.005 84.4242 0.000835636 0.00140315 -0.00384879 56
16843 233 H 23.6074 25.3703 84.6209 -0.00981324 0.0118184 -0.00566824 56
16844 234 H 24.9487 27.2773 86.5676 -0.00930755 0.00179956 0.00506839 56
16845 235 H 23.3062 26.6357 86.6838 -0.00315238 0.0122604 -0.00422291 56
16846 236 H 24.3924 24.2677 86.8574 -0.0105404 0.00425258 -0.00397874 56
16847 237 H 25.9436 25.1194 87.1397 -0.00262114 -0.00228278 -0.00993109 56
16848 238 H 23.489 25.1351 88.979 -0.00701572 0.0134744 -0.00691595 56
16849 239 H 25.0936 24.4469 89.2226 -0.014101 -0.0100531 -0.00173267 56
16850 240 H 25.759 27.0975 88.8316 -0.00363404 -0.00598811 -0.0102761 56
16851 241 H 24.1321 27.3116 89.4252 0.00198757 -0.000240821 -0.00296497 56
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16914 2 C 35.5203 21.9908 78.1713 -0.00565786 0.00079034 0.00219003 57
16915 3 C 34.9895 20.8507 77.6304 -0.00399095 0.00210835 -0.000787193 57
16916 4 C 34.4965 19.8759 78.484 0.00494734 -0.00512595 -0.00296318 57
16917 5 C 34.5594 20.0159 79.888 -0.00320688 -0.000565073 0.000369857 57
16918 6 C 35.0504 21.2315 80.4595 0.00172757 -6.9972e-05 -0.0072715 57
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16920 8 C 30.0448 18.7868 78.6125 -0.00106178 0.00290671 0.000637893 57
16921 9 C 31.2307 18.6106 77.9687 0.00446028 0.00150554 -0.00105019 57
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16924 12 C 31.2561 18.925 80.7444 -0.000441682 0.00159455 0.00367458 57
16925 13 C 35.8674 15.409 80.0427 -0.000596711 -0.00230227 -0.000832264 57
16926 14 C 35.8398 15.3697 78.6534 -0.00207961 0.00368522 0.000663788 57
16927 15 C 35.2271 16.3652 77.9631 0.000485066 0.00525214 -0.00696106 57
16928 16 C 34.5799 17.4275 78.6641 -0.00284957 -0.00101357 0.000985721 57
16929 17 C 33.8151 18.5785 77.971 0.00111834 -0.00137519 -0.001596 57
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16939 27 C 32.3405 17.0071 71.3854 -0.00144687 -0.00209811 -0.00434853 57
16940 28 C 33.2568 16.2248 72.1499 -9.35809e-05 0.000174404 -0.00488456 57
16941 29 C 33.6591 16.6803 73.4245 -0.00269111 0.00138879 -0.00482589 57
16942 30 C 32.0631 16.541 70.0781 -0.00206533 0.00434813 -0.00032693 57
16943 31 C 31.8966 16.2081 68.9375 -0.00614992 -0.00287553 0.00366662 57
16944 32 C 30.1822 12.3972 67.3381 5.92381e-06 -0.00441635 -0.00119019 57
16945 33 C 30.3363 12.1708 65.9525 0.00261667 -0.00109669 -0.00074046 57
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16947 35 C 31.1514 14.4151 65.6352 0.000275393 0.00106225 0.00104927 57
16948 36 C 31.1051 14.584 67.0399 0.00408083 0.000183951 0.00302524 57
16949 37 C 30.5933 13.6089 67.8727 -0.00241483 0.00138413 0.00168083 57
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16955 43 C 33.1488 15.9243 66.7677 -0.000492285 0.00274138 -0.003768 57
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16962 50 C 30.9675 17.0223 66.7694 -0.00439137 0.0045933 -0.00056697 57
16963 51 C 30.3868 18.1677 67.3664 -0.0011819 0.000959427 -0.00161585 57
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16971 59 C 33.0752 14.7145 59.9637 0.000807868 -0.00565737 -0.00595207 57
16972 60 C 31.932 14.9519 58.9591 -0.00180461 -0.000389123 0.0021714 57
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16979 67 C 32.3425 14.6314 50.6448 -0.00422379 -0.00379512 0.00240613 57
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16985 73 C 32.4466 10.3003 59.6754 -0.00329941 -0.0015521 -0.00238423 57
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16997 85 C 29.2457 17.2682 58.5622 0.000470282 -0.000876571 0.00156004 57
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17000 88 C 27.6153 17.6942 54.9727 -0.000611412 0.000805768 -0.00455737 57
17001 89 C 28.7786 17.2117 54.0801 0.000599114 -0.000998004 0.00451175 57
17002 90 C 28.8379 17.8301 52.7217 -0.00333967 -1.80868e-05 0.00262299 57
17003 91 C 27.6735 17.3145 51.8362 0.00396121 0.000667426 0.00307398 57
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17005 93 C 26.7597 17.2416 49.4116 0.00120975 0.000648822 -0.00329884 57
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17008 96 C 28.3506 19.0876 84.6268 0.00299548 -0.00320884 -0.000797884 57
17009 97 C 29.3769 19.2043 85.7735 0.0018758 0.00310669 0.000137371 57
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17012 100 C 30.0325 19.1584 89.5885 -0.00166584 0.00640346 0.00155084 57
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17014 102 C 29.1437 19.2279 91.9564 -0.000748306 -0.00122169 0.00203049 57
17015 103 C 28.0484 18.7111 92.9187 -0.00207203 0.00124444 0.00280327 57
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17019 107 C 35.9439 22.7719 83.8608 -0.000830833 -0.000576407 0.0028772 57
17020 108 C 36.603 24.0912 84.3205 0.000926972 -0.000342373 0.00227693 57
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17024 112 C 36.3156 23.7611 89.5907 7.06471e-05 -0.00330942 -0.00189882 57
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17026 114 C 36.3397 23.8779 92.1604 0.000698838 0.000536176 -0.00137545 57
17027 115 C 37.2295 23.7457 93.4122 0.00158085 0.00167865 -0.00154652 57
17028 116 C 36.4355 24.0281 94.7253 0.00493006 0.0016475 0.00250665 57
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17030 118 C 35.9378 15.192 82.7528 -0.00256644 -0.00175173 5.98308e-05 57
17031 119 C 35.9556 15.3406 84.2746 -0.00175741 -0.00175004 0.00518804 57
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17033 121 C 37.2617 14.6049 86.3231 0.00108451 0.00204951 -0.000516957 57
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17035 123 C 37.3159 14.6118 88.8308 -0.00204398 -0.00287544 -0.000248877 57
17036 124 C 36.7413 14.1619 90.1505 0.00408398 -0.00076192 -8.52802e-05 57
17037 125 C 37.4694 14.7893 91.3407 0.00162043 0.000107767 -0.00263734 57
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17039 127 C 37.6965 14.9128 93.7933 -0.000128747 0.00105702 0.00168032 57
17040 128 C 37.1592 14.5038 95.2056 0.00569348 0.000523277 -0.00241604 57
17041 129 C 37.9293 13.2939 95.7743 -0.00713039 -0.00102909 -0.00254774 57
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17519 3 C 42.8136 20.7666 77.7543 0.00184956 0.00386317 -0.00154711 59
17520 4 C 42.3108 19.7726 78.6235 -0.00172193 -0.000929322 -0.00221221 59
17521 5 C 42.3375 19.9009 80.0344 0.00180542 -0.00209687 -0.00262089 59
17522 6 C 42.9649 21.0345 80.5779 -0.00489607 0.00186538 -0.00410848 59
17523 7 C 37.8361 18.8443 80.0732 -0.00260316 0.00382884 0.00192143 59
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17527 11 C 40.2391 18.721 80.1247 0.000676163 -0.00316759 -0.00087584 59
17528 12 C 39.0405 18.9519 80.7962 -0.000917046 0.000567926 -0.00329417 59
17529 13 C 43.6578 15.3508 80.21 0.00283888 -0.000242591 -0.00174389 59
17530 14 C 43.6959 15.3413 78.8007 0.000117848 -0.00164104 0.00355556 59
17531 15 C 43.0436 16.3625 78.119 -0.00384145 0.000901279 0.00307087 59
17532 16 C 42.3246 17.3463 78.8312 0.00110506 -0.000967399 0.000863339 59
17533 17 C 41.6297 18.4861 78.1219 -0.000285313 -0.00336113 0.00145385 59
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17543 27 C 40.2478 16.8017 71.5967 -0.000728935 -0.00159421 0.00121228 59
17544 28 C 40.5124 15.8347 72.6141 -7.33725e-05 0.00403713 0.000607062 59
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17645 129 C 43.0944 15.0254 95.4779 -0.00249861 0.000674519 -0.000100793 59
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19349 21 C 19.6689 30.2206 80.854 -0.00298803 -0.00647411 0.000777612 65
19350 22 C 18.3372 31.8173 76.5008 -0.00181475 -0.000250479 0.001527 65
19351 23 C 18.1995 31.5604 75.3351 -0.000320881 0.00274568 -0.00561647 65
19352 24 C 17.852 31.0914 74.0641 -0.000180696 0.00406785 0.00247042 65
19353 25 C 17.6808 29.7147 73.8859 -0.00156481 -0.000196959 4.47772e-06 65
19354 26 C 17.1794 29.2444 72.6725 0.0064334 -0.00263398 -0.000138708 65
19355 27 C 16.8139 30.17 71.6284 -0.00202843 0.0018092 -0.00160465 65
19356 28 C 17.0664 31.5296 71.8284 -0.00103663 -0.000292936 0.00273435 65
19357 29 C 17.528 32.0207 73.0758 -0.00198449 -0.00299933 -0.00185188 65
19358 30 C 16.37 29.7264 70.3674 -0.00398693 -0.000947506 0.00355764 65
19359 31 C 16.1553 29.4398 69.203 -0.00315262 0.00151138 0.00494818 65
19360 32 C 14.2682 25.876 67.4318 -0.00348548 0.00148851 -0.00157822 65
19361 33 C 14.2435 25.7783 66.043 0.00315019 0.000273028 0.00269447 65
19362 34 C 14.8536 26.7439 65.2186 -0.00141207 -0.000344279 -0.000851453 65
19363 35 C 15.4473 27.8624 65.8372 0.00342858 0.000124321 -0.00255672 65
19364 36 C 15.4276 27.9724 67.2303 -3.55866e-05 0.00183713 0.00109998 65
19365 37 C 14.8289 27.0046 68.0371 0.00416362 0.00247073 -0.00378837 65
19366 38 C 16.0743 29.2789 67.7426 0.0026771 0.00272508 -0.000578055 65
19367 39 C 19.9089 29.1078 67.0882 3.56428e-05 -0.00484867 0.00330324 65
19368 40 C 19.8932 29.0943 65.7069 0.00659671 -0.000420197 0.0017622 65
19369 41 C 18.6829 29.1673 64.9939 0.00213852 -0.00159222 0.0022869 65
19370 42 C 17.4891 29.2189 65.7285 -0.000837455 -0.00330694 -0.000999869 65
19371 43 C 17.488 29.3031 67.1372 0.00251187 -0.000665926 -0.00438827 65
19372 44 C 18.7144 29.2747 67.8212 0.00612054 0.00430248 0.000739298 65
19373 45 C 14.01 32.4546 66.9453 0.00118884 0.000259639 0.00317414 65
19374 46 C 14.0236 32.336 65.5512 0.000465213 -0.00248541 -0.00262115 65
19375 47 C 14.7274 31.3059 64.9418 0.00475684 -0.00701991 7.19413e-05 65
19376 48 C 15.3487 30.2914 65.6882 -0.000200871 0.0016541 0.00350703 65
19377 49 C 16.0906 29.0633 65.1277 0.0014633 -0.00330213 -0.00437169 65
19378 50 C 15.3715 30.4233 67.0833 0.00465115 -0.00215203 0.000569397 65
19379 51 C 14.6961 31.5053 67.7021 0.00227385 0.000283913 0.00095567 65
19380 52 O 18.6701 28.9879 63.6049 0.00207302 -0.00154043 -0.00285906 65
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19382 54 O 14.644 31.2085 63.5776 -0.000202077 -0.00499892 0.00110074 65
19383 55 C 18.2434 32.4081 80.5523 0.00602333 0.000611584 -0.00386151 65
19384 56 C 18.9662 31.1145 80.0564 -0.000774244 0.00174438 -0.00271781 65
19385 57 C 18.346 30.0701 62.7188 3.1584e-05 0.000259767 -0.000917213 65
19386 58 C 18.0005 29.4224 61.3889 -8.65052e-05 -0.00176004 0.00269458 65
19387 59 C 16.5431 28.9912 61.2487 0.000743643 0.0025533 0.00422411 65
19388 60 C 16.2755 28.2072 59.9245 -0.000756865 -0.0028728 -0.00519492 65
19389 61 C 16.5707 28.9664 58.6166 0.000810323 4.39708e-05 0.00023836 65
19390 62 C 16.3573 28.0888 57.3865 0.0018514 -0.00285424 -0.0028508 65
19391 63 C 16.5212 28.9174 56.1008 0.00180075 -0.00116494 -0.000644996 65
19392 64 C 16.2046 28.1207 54.8622 -0.00142375 -0.00087456 -0.00554672 65
19393 65 C 16.3528 28.9674 53.5699 -0.00240345 0.00325881 3.68525e-05 65
19394 66 C 15.939 28.1767 52.3308 -5.67902e-05 0.00176245 0.000455192 65
19395 67 C 16.2713 29.0207 51.0797 0.00404426 0.00267877 0.00261987 65
19396 68 C 15.9729 28.2455 49.797 -0.00223825 -0.00080607 0.000348308 65
19397 69 F 16.9285 27.9076 72.5121 0.00463962 -0.0022297 -0.001807 65
19398 70 C 15.9117 25.5893 63.3963 0.000469465 0.000510542 -0.000141004 65
19399 71 C 15.6769 25.055 61.9856 0.00189891 0.00104039 -0.00035474 65
19400 72 C 16.7212 24.0634 61.4718 -0.00288077 -0.00242487 -0.00199014 65
19401 73 C 16.4379 23.5337 60.0343 -0.00274262 -0.00168439 0.00156829 65
19402 74 C 16.3195 24.5154 58.8461 -0.00460369 0.00325044 -0.00173032 65
19403 75 C 15.9218 23.7025 57.5556 -0.00269228 -0.0032251 0.00219473 65
19404 76 C 16.08 24.5114 56.281 -0.00157964 -0.0044028 -0.00296064 65
19405 77 C 15.9121 23.6945 54.9552 -0.00714641 -0.00274928 0.000134953 65
19406 78 C 16.1711 24.5824 53.7277 -0.00259478 -0.0012493 -0.00119984 65
19407 79 C 16.1354 23.7985 52.3861 -0.00453772 -0.000652138 -0.00164475 65
19408 80 C 16.3737 24.7411 51.1746 0.00019376 0.00625775 -0.0062092 65
19409 81 C 16.5152 23.989 49.8408 -0.00225202 0.000446248 -0.00126061 65
19410 82 C 13.319 31.226 63.0545 -0.00575174 -0.00165375 -0.00168203 65
19411 83 C 13.219 30.3467 61.7691 -0.00167598 0.000542993 -0.00457265 65
19412 84 C 13.3023 31.1333 60.482 0.00129399 -0.0047354 0.00255478 65
19413 85 C 12.9957 30.2841 59.223 0.000465373 -0.00227974 -0.00419216 65
19414 86 C 12.5932 31.1513 58.0147 0.00226337 -0.00471423 0.00511861 65
19415 87 C 12.5621 30.2834 56.7552 -0.0034161 -0.00207688 0.00134844 65
19416 88 C 12.3791 31.1228 55.5246 0.000915726 0.00311932 -0.00412957 65
19417 89 C 12.5552 30.2224 54.2678 -0.00132326 -0.00368326 0.00456809 65
19418 90 C 12.5179 31.0376 53.0076 -0.00132735 -0.000703989 -8.21047e-05 65
19419 91 C 12.5605 30.2266 51.7232 0.00357586 -0.000476816 0.00450677 65
19420 92 C 12.4465 31.1418 50.4641 -0.00365327 -0.00121964 -0.00208908 65
19421 93 C 12.693 30.3926 49.1821 0.00207508 0.0037623 -0.00153694 65
19422 94 C 14.0838 32.7554 82.3861 0.0019082 -0.00118868 -0.0032661 65
19423 95 C 13.9773 32.6467 83.9281 -0.00150572 0.00299956 0.00342838 65
19424 96 C 12.5272 32.6502 84.3832 0.00186948 -0.000159022 -0.000946526 65
19425 97 C 12.3706 32.3184 85.8486 -0.0027688 -0.000716442 -0.000104292 65
19426 98 C 13.2689 33.0909 86.8298 -0.000968595 -0.00544213 -0.00480519 65
19427 99 C 12.8598 32.7039 88.2488 -0.000261007 -0.000180323 -0.00100778 65
19428 100 C 13.6765 33.2997 89.385 0.00297171 -0.00186616 -0.00342133 65
19429 101 C 13.2031 32.7936 90.7521 -0.00311017 0.00475408 0.000758263 65
19430 102 C 14.1335 33.2057 91.9004 -0.00183324 0.000154312 0.00125067 65
19431 103 C 13.7231 32.6703 93.2699 -0.00198495 -0.000657257 0.00224624 65
19432 104 C 14.633 33.1635 94.3915 -0.00101579 -0.00221063 0.000625678 65
19433 105 C 14.2029 32.6077 95.7558 -0.00112668 0.00178906 0.00475716 65
19434 106 C 20.0591 36.2243 82.0752 -0.000737082 0.00222379 0.00241831 65
19435 107 C 20.2589 36.3594 83.5949 0.00547964 5.60666e-05 0.00105086 65
19436 108 C 21.0454 37.6649 83.9863 -0.00111194 -0.000236652 -0.00119425 65
19437 109 C 20.8127 38.1351 85.4335 0.000883034 -0.00624336 -0.000544009 65
19438 110 C 21.3081 37.2357 86.5872 0.00361078 -0.000782142 0.00408906 65
19439 111 C 20.935 37.9062 87.9289 0.000713874 -0.00074293 0.00112055 65
19440 112 C 21.4659 37.1295 89.1448 0.00206503 0.000306471 -0.00375987 65
19441 113 C 21.1279 37.8206 90.5115 0.00215255 -0.00272739 -0.00421476 65
19442 114 C 21.5857 36.9589 91.7604 -0.000415457 1.71053e-05 0.00116687 65
19443 115 C 21.0855 37.5975 93.0886 -0.0029101 0.00406363 0.00101625 65
19444 116 C 21.5186 36.8488 94.3055 -0.00318015 -0.00363023 -0.001748 65
19445 117 C 21.0088 37.5438 95.6 0.0019735 0.000304495 -0.00646715 65
19446 118 C 20.254 29.2735 83.0314 0.003051 -0.00424002 -0.000798735 65
19447 119 C 20.2585 29.4373 84.591 -0.00351276 -0.000518667 0.000901163 65
19448 120 C 20.6492 28.0803 85.2858 -0.000890745 -0.00111511 0.00048612 65
19449 121 C 20.7222 28.1678 86.832 -0.00264834 -6.12859e-05 0.000517608 65
19450 122 C 19.4397 28.6466 87.4377 -0.000203168 0.00286946 0.000380052 65
19451 123 C 19.2393 28.1137 88.8363 0.000887922 0.00236874 0.0018235 65
19452 124 C 20.2409 28.5712 89.9016 0.00617995 0.00357706 -0.00088758 65
19453 125 C 19.8791 27.9959 91.2615 0.0012036 -0.0053659 -0.00462346 65
19454 126 C 20.7446 28.5393 92.3857 -0.00294221 -0.00662105 0.00204099 65
19455 127 C 20.3729 27.7719 93.6608 -0.00218239 -0.00111794 -0.00327816 65
19456 128 C 21.1295 28.2324 94.9324 0.00303061 0.00227839 0.00239743 65
19457 129 C 20.83 27.3651 96.1561 0.00337464 0.00302148 0.00100717 65
19458 130 F 18.0323 28.8609 74.8461 0.000385822 0.00261492 0.00173223 65
19459 131 H 20.5249 36.5741 79.7483 0.00796831 -0.0042652 0.00100329 65
19460 132 H 20.6196 36.0725 77.3069 0.00148282 -0.00332196 -0.00345137 65
19461 133 H 19.5743 34.0811 76.4243 -0.00517123 -0.0193337 -1.22556e-05 65
19462 134 H 13.3673 32.648 80.0591 0.00120009 0.00211363 0.00755309 65
19463 135 H 13.5694 32.3032 77.6526 -0.00265154 0.0133598 0.00357939 65
19464 136 H 15.7906 31.9484 76.5988 -0.0197313 -0.00380672 -0.000629601 65
19465 137 H 20.8152 28.3265 80.7913 0.00895758 -0.0048725 -0.0149018 65
19466 138 H 20.6081 28.0113 78.376 0.00570099 -0.000284881 0.00526353 65
19467 139 H 19.5835 29.6525 77.0132 -0.0120134 -0.0155418 -0.000560625 65
19468 140 H 16.7405 32.2098 71.047 -0.00791994 -0.00653783 0.000146112 65
19469 141 H 17.6113 33.0903 73.2442 -0.0108128 -0.00394034 0.00845993 65
19470 142 H 13.8132 25.1125 68.0559 -0.00680172 0.0112507 0.00795623 65
19471 143 H 13.7784 24.9125 65.5809 -0.00147028 0.0041182 0.000141543 65
19472 144 H 14.7661 27.0767 69.1189 0.00136312 0.00884818 -0.00438205 65
19473 145 H 20.8195 29.0112 67.6721 0.00842194 0.016282 -0.00631513 65
19474 146 H 20.8446 28.9226 65.2122 0.00661827 -0.0154813 0.00700774 65
19475 147 H 18.7102 29.197 68.9044 -0.0106567 -0.0147738 -0.000637105 65
19476 148 H 13.4513 33.2826 67.3715 0.0239685 0.0142515 0.00578407 65
19477 149 H 13.5396 33.0815 64.9273 0.00415779 0.00389364 0.00213935 65
19478 150 H 16.0076 28.9836 64.0367 -0.0181449 -0.000375867 -0.00311855 65
19479 151 H 14.7164 31.6616 68.7766 0.0130076 -0.0092421 0.0021284 65
19480 152 H 18.2032 32.5359 81.6411 -0.00622403 -0.00721183 -0.00338107 65
19481 153 H 17.5183 30.722 63.0243 0.00707786 0.00226386 0.0138578 65
19482 154 H 19.2024 30.7431 62.5884 0.00369072 -0.00560913 -0.00712556 65
19483 155 H 18.6249 28.5584 61.13 -0.00320776 -0.00344294 0.000753433 65
19484 156 H 18.2539 30.189 60.6462 -0.00615078 -0.00916092 -0.00698317 65
19485 157 H 15.9808 29.9331 61.2394 0.00190801 0.00317194 -0.00546359 65
19486 158 H 16.3216 28.3575 62.1163 -0.00100237 -0.00144772 0.000848083 65
19487 159 H 15.2137 27.9389 59.9877 -0.00131181 0.00143185 0.00412047 65
19488 160 H 16.8547 27.2759 59.9042 -0.00211124 -0.00376073 -0.0030301 65
19489 161 H 17.6319 29.2375 58.6792 0.0015539 -0.00324118 0.0019974 65
19490 162 H 15.9479 29.8687 58.5777 -0.00691781 -0.00488911 0.00938148 65
19491 163 H 15.3401 27.6858 57.467 -0.00105716 0.00273669 -0.0117183 65
19492 164 H 17.0633 27.2493 57.403 0.00525916 -0.000285612 -0.0182472 65
19493 165 H 17.5121 29.3843 56.0427 -0.00444674 0.0122282 -2.72159e-05 65
19494 166 H 15.8104 29.7487 56.1854 -5.29006e-05 -0.00224732 -0.00567093 65
19495 167 H 15.1642 27.7794 54.9282 -0.000822111 -0.00244777 -0.00420714 65
19496 168 H 16.8187 27.2117 54.8501 0.0146209 0.0100846 -0.0121277 65
19497 169 H 17.4026 29.2827 53.5267 0.00610744 -0.0230611 0.0142342 65
19498 170 H 15.7562 29.8851 53.6419 0.00374985 0.00732157 -0.000704148 65
19499 171 H 14.8707 27.9292 52.3606 0.00248868 -0.0105418 -0.0105224 65
19500 172 H 16.5228 27.2491 52.2833 -0.00432027 -0.000799498 -0.00187643 65
19501 173 H 17.3403 29.264 51.0415 0.00875981 -0.0178938 0.0029212 65
19502 174 H 15.6815 29.9447 51.1206 0.00214287 0.00187457 -0.00681272 65
19503 175 H 16.1854 28.8554 48.9103 0.00365791 0.000805734 0.00287478 65
19504 176 H 14.915 27.9618 49.7359 -0.00220113 -1.5367e-05 -0.00402895 65
19505 177 H 16.5786 27.3388 49.6768 -0.00371112 -0.000999757 -0.00571353 65
19506 178 H 16.8174 26.2061 63.3449 0.0029028 -0.0028884 0.00224885 65
19507 179 H 15.9309 24.7971 64.1549 -0.000371883 -0.00685723 -0.0078454 65
19508 180 H 14.6828 24.5918 61.9622 -0.000874327 0.00657465 0.0075543 65
19509 181 H 15.6405 25.9116 61.3012 -0.0107088 0.0017911 0.00125211 65
19510 182 H 17.7273 24.4958 61.4074 0.00153841 -0.0109023 0.010647 65
19511 183 H 16.7293 23.1945 62.1413 -0.00583141 -0.00646967 -0.00718893 65
19512 184 H 17.2152 22.7983 59.7924 0.00370871 0.00624939 -0.00173587 65
19513 185 H 15.529 22.9195 60.0271 -0.000909069 -0.00448354 0.00916004 65
19514 186 H 15.6093 25.3286 59.0408 -0.00054092 0.00768946 -0.00541574 65
19515 187 H 17.2794 25.0226 58.6887 -0.00772956 0.00545566 -0.0137328 65
19516 188 H 16.5729 22.8227 57.4819 -0.00968639 -0.00792954 -0.00334103 65
19517 189 H 14.891 23.33 57.6013 9.65883e-05 -0.0109742 0.00192384 65
19518 190 H 15.3866 25.3614 56.2712 -0.00307487 -0.00577236 -0.0174011 65
19519 191 H 17.0678 24.9885 56.2774 -0.00312804 -0.00114735 0.00321594 65
19520 192 H 16.5722 22.8219 54.8765 -0.000680823 0.00133953 0.00915149 65
19521 193 H 14.8776 23.3296 54.944 -0.00899044 0.00262611 -0.00454289 65
19522 194 H 15.4153 25.3754 53.671 0.00381716 0.0050703 0.00196335 65
19523 195 H 17.1745 25.0247 53.7585 -0.00474742 0.00328135 0.00333429 65
19524 196 H 16.8408 22.9641 52.4848 0.00517311 0.00692524 -0.00738552 65
19525 197 H 15.1566 23.3208 52.2548 -0.0111095 0.0149445 -0.00937661 65
19526 198 H 15.5732 25.4902 51.1354 -0.00964671 -0.00395233 -0.00039664 65
19527 199 H 17.3066 25.2747 51.3945 -0.000837199 0.00165168 0.00948269 65
19528 200 H 16.7048 24.6757 49.0066 -0.0186472 0.0101267 0.00296268 65
19529 201 H 17.3243 23.2518 49.913 0.00719558 0.0109852 0.000477861 65
19530 202 H 15.5633 23.4838 49.6354 -0.00438946 0.00844473 -0.0110321 65
19531 203 H 12.6475 30.7098 63.7517 0.0157073 -0.021491 0.00431923 65
19532 204 H 12.9057 32.2344 62.9291 0.00532924 0.00375052 0.00537668 65
19533 205 H 13.9633 29.542 61.8118 -0.000342103 0.00242547 0.00789438 65
19534 206 H 12.2332 29.8655 61.7759 0.00200683 -0.00714156 -0.0159125 65
19535 207 H 12.5758 31.9543 60.5237 -0.00164275 -0.00702087 -0.00355359 65
19536 208 H 14.3109 31.5598 60.4164 -0.00644865 0.0122895 -0.00568547 65
19537 209 H 13.8621 29.6429 59.0195 0.00114668 -0.00181326 -0.00276953 65
19538 210 H 12.1496 29.6225 59.446 0.00210351 0.00163328 0.0136797 65
19539 211 H 11.5842 31.5471 58.1836 0.00539719 -9.749e-05 0.0130206 65
19540 212 H 13.2253 32.0383 57.884 -0.00724653 4.03868e-05 -0.00879909 65
19541 213 H 13.5179 29.7532 56.6612 -0.00769645 -0.00968088 0.000761831 65
19542 214 H 11.76 29.5427 56.8613 -0.00487803 0.000422506 0.00781595 65
19543 215 H 11.3413 31.4727 55.5878 -0.00277558 -0.00977915 0.00708628 65
19544 216 H 12.9839 32.0359 55.586 -0.00663279 0.00795954 -0.00127988 65
19545 217 H 13.5109 29.6839 54.2566 -0.00546015 -0.0107048 -0.0148806 65
19546 218 H 11.8111 29.4186 54.2067 -0.00122104 -0.00431618 0.0117785 65
19547 219 H 11.6177 31.6614 52.9445 -0.00507058 -0.00546972 0.00660688 65
19548 220 H 13.3312 31.7738 53.0088 0.00230481 -0.0047251 -0.00139368 65
19549 221 H 13.5069 29.6751 51.6631 -0.00690821 -0.0156576 -0.0216597 65
19550 222 H 11.7471 29.4907 51.7063 -0.00633141 0.0104584 0.00566533 65
19551 223 H 11.4451 31.5896 50.464 -0.000941357 0.00483881 -0.00125771 65
19552 224 H 13.1975 31.9339 50.5738 -0.00515989 0.000833984 -0.00668754 65
19553 225 H 13.7063 29.9726 49.1714 -0.00324134 -0.00913257 0.00141908 65
19554 226 H 11.9808 29.5627 49.0956 -0.00370641 0.00764102 0.00897256 65
19555 227 H 12.6158 31.0259 48.2896 -0.000166083 0.000504789 -0.00365834 65
19556 228 H 13.6957 33.7259 82.053 0.0115936 0.00457825 0.00226865 65
19557 229 H 13.4303 31.9865 81.9558 0.0076451 -0.00698604 -0.00160127 65
19558 230 H 14.3637 31.6767 84.2646 -0.0183401 -0.0117838 -0.0198308 65
19559 231 H 14.5713 33.4463 84.3876 0.000645187 0.00699215 -0.00627659 65
19560 232 H 12.1804 33.6668 84.1607 -0.00294111 -0.000137457 0.00674651 65
19561 233 H 11.8596 32.0304 83.772 0.012096 0.00433192 -0.0166699 65
19562 234 H 11.3184 32.5527 86.0518 0.00116563 0.00181914 0.0172067 65
19563 235 H 12.4404 31.2414 86.0453 0.00204524 -0.000392305 -7.02975e-05 65
19564 236 H 14.319 32.8467 86.6268 0.000835391 0.00617267 -0.009494 65
19565 237 H 13.142 34.168 86.6645 -0.0056402 -0.00558274 -0.00211934 65
19566 238 H 11.8182 32.9671 88.4709 -0.00229574 -0.0145362 0.00655083 65
19567 239 H 12.9318 31.6098 88.2814 -0.0212983 -0.00132419 0.00689739 65
19568 240 H 14.7357 33.11 89.1716 0.00233811 -0.0042483 -0.00444066 65
19569 241 H 13.5894 34.3926 89.3497 -0.00540251 -0.0031881 -0.0238599 65
19570 242 H 12.1719 33.1181 90.9382 -0.00614752 -0.00510034 0.00118714 65
19571 243 H 13.1235 31.6999 90.7214 0.00488108 0.00429289 -0.00323359 65
19572 244 H 15.1355 32.7901 91.7363 0.000194003 0.00950026 -0.00985127 65
19573 245 H 14.1986 34.3007 91.8963 0.0115452 -0.000672467 -0.00942964 65
19574 246 H 12.6676 32.9304 93.4172 -0.00107163 0.00453817 -0.000362794 65
19575 247 H 13.7928 31.5756 93.2539 0.00432094 -0.000336216 0.00742947 65
19576 248 H 15.6559 32.8092 94.2135 -0.00249651 -0.00566306 -0.00100805 65
19577 249 H 14.7047 34.2581 94.3851 0.00148521 -0.00244369 -0.0134614 65
19578 250 H 14.2528 31.5138 95.8208 0.00192738 0.00260495 0.016279 65
19579 251 H 14.8931 33.0223 96.5009 0.00275397 -0.00468299 0.00476526 65
19580 252 H 13.1853 32.9497 95.9813 -0.00245637 -0.00187337 0.0042998 65
19581 253 H 21.078 36.2362 81.6687 -0.00104099 0.00336528 0.00169626 65
19582 254 H 19.4445 37.0686 81.7395 -0.00997314 -0.000844808 0.0115463 65
19583 255 H 19.3008 36.3008 84.126 0.00181505 0.00859746 -0.0046235 65
19584 256 H 20.8472 35.4984 83.9353 0.00702368 0.00770585 0.0177071 65
19585 257 H 22.1142 37.4866 83.8152 -0.00121807 0.0030818 -0.00530877 65
19586 258 H 20.7678 38.4498 83.272 0.0015495 0.000273566 -0.0016642 65
19587 259 H 21.2817 39.1231 85.5197 -0.0193179 0.00384558 -0.00623122 65
19588 260 H 19.7316 38.2876 85.5402 0.00342129 0.0151153 -0.00513828 65
19589 261 H 20.8708 36.23 86.5618 -0.000884212 0.00105552 0.00868195 65
19590 262 H 22.3851 37.107 86.423 0.00446231 0.00975397 0.00139641 65
19591 263 H 21.4295 38.8798 88.0332 -0.00482211 0.0031021 -0.00874173 65
19592 264 H 19.8472 38.0228 88.0093 0.0022411 0.0079949 0.0090514 65
19593 265 H 21.0379 36.1195 89.1558 0.0178698 -0.00628107 0.00587617 65
19594 266 H 22.5586 37.0826 89.0603 0.00243973 0.00294405 -0.000438211 65
19595 267 H 21.4973 38.8464 90.6334 0.0104051 -0.00721245 0.00869652 65
19596 268 H 20.0414 37.9439 90.5984 0.00231115 0.00606668 -0.0148898 65
19597 269 H 21.1289 35.9639 91.6912 -0.00727905 0.00245705 0.0112216 65
19598 270 H 22.6766 36.844 91.7726 -0.000163897 0.00326514 0.00925521 65
19599 271 H 21.4402 38.6355 93.0955 0.00745881 0.000485299 0.00457935 65
19600 272 H 19.9906 37.6611 93.0649 -0.00327294 -0.00455841 -0.00533197 65
19601 273 H 21.1156 35.8292 94.2675 0.00829611 -0.00782298 -0.0103862 65
19602 274 H 22.6152 36.8216 94.2974 -0.00296123 0.000679169 0.0136839 65
19603 275 H 21.1975 38.6244 95.6067 0.0126113 -0.00156859 -0.00218354 65
19604 276 H 19.9453 37.3011 95.7162 0.00470782 -0.0103087 -0.00341317 65
19605 277 H 21.5304 37.114 96.4641 0.00541904 0.0127848 -0.00235021 65
19606 278 H 19.5318 28.4927 82.7626 -0.00140648 -0.00547057 0.0147857 65
19607 279 H 21.2175 28.8701 82.6961 -0.000572308 -0.0121934 -0.00167946 65
19608 280 H 19.2706 29.7772 84.9257 -0.00117176 0.00591627 0.00130418 65
19609 281 H 20.9638 30.2386 84.8437 -0.00169452 0.000777168 -0.00824312 65
19610 282 H 21.5786 27.7198 84.828 0.00607051 0.0078222 0.00759433 65
19611 283 H 19.9167 27.3039 85.0326 -0.00543588 0.000514818 0.00863277 65
19612 284 H 21.5262 28.8267 87.1824 -0.0005106 -0.00239008 -4.69724e-06 65
19613 285 H 20.9728 27.1545 87.1691 -0.00385936 0.000731325 0.00378212 65
19614 286 H 18.5597 28.3792 86.8399 0.00426473 -0.00518914 -0.00258569 65
19615 287 H 19.5469 29.7355 87.5166 0.00050294 0.0031917 -0.00506451 65
19616 288 H 19.2366 27.0211 88.7385 0.00902461 0.00174631 0.00878113 65
19617 289 H 18.2276 28.3928 89.1555 0.00408911 0.0172532 -0.001064 65
19618 290 H 20.249 29.6674 89.9449 -0.0126202 0.0033696 0.00704405 65
19619 291 H 21.2765 28.3306 89.6312 0.00532438 -0.0135332 0.0111984 65
19620 292 H 19.9279 26.9041 91.1664 0.00251007 -0.00595916 0.00300246 65
19621 293 H 18.8121 28.1997 91.415 0.00315583 -0.00864529 0.013034 65
19622 294 H 20.5822 29.6063 92.5823 -0.0102603 -0.00603005 -0.00731262 65
19623 295 H 21.7888 28.3623 92.0999 -0.00241821 0.00332523 -0.00219579 65
19624 296 H 20.4524 26.7061 93.4136 0.0106571 -0.00108301 0.000846485 65
19625 297 H 19.3022 27.9358 93.8342 0.000735503 0.0152812 -0.000737341 65
19626 298 H 20.7902 29.2371 95.2131 -0.0097321 0.00209097 -0.0124404 65
19627 299 H 22.2176 28.3143 94.8196 0.00188029 -0.00260885 -0.0119455 65
19628 300 H 21.0187 26.2959 95.999 -0.000716776 0.000667474 0.0120817 65
19629 301 H 19.7562 27.4972 96.3375 0.00341468 0.00755209 -0.00201139 65
19630 302 H 21.385 27.708 97.0381 0.00792772 0.00544114 -0.00280083 65
19631 1 C 23.981 42.3939 78.9028 -7.21573e-06 0.00177935 -0.0019443 66
19632 2 C 24.024 42.2177 77.5322 -0.0035626 -0.00368854 -0.000371804 66
19633 3 C 23.4029 41.1127 76.9372 -0.00248576 0.000589116 0.00293212 66
19634 4 C 22.7754 40.159 77.7541 -0.00198468 5.0277e-05 -0.000681942 66
19635 5 C 22.7557 40.3076 79.1415 -0.002729 0.00141712 -0.000831333 66
19636 6 C 23.3555 41.4342 79.7151 -0.000997253 0.00102884 0.00149753 66
19637 7 C 18.251 39.0632 79.082 -0.00343941 0.00132479 5.55455e-05 66
19638 8 C 18.3045 38.8934 77.6999 0.000679374 -0.00211796 0.000683671 66
19639 9 C 19.5193 38.8179 77.0529 0.00417958 0.00494215 0.00425819 66
19640 10 C 20.6928 38.8859 77.8373 -0.00156507 -0.000636255 -0.00259541 66
19641 11 C 20.6517 38.9926 79.2584 0.00401737 0.00059875 -0.000104911 66
19642 12 C 19.4078 39.1389 79.8827 0.00390409 0.000445508 0.00118089 66
19643 13 C 24.2492 35.8687 79.5002 -0.00219919 0.000905085 -0.00131597 66
19644 14 C 24.2059 35.7659 78.0971 -0.00138958 0.00090143 -0.00408859 66
19645 15 C 23.5561 36.7413 77.3552 -0.00222572 -0.00165344 -0.00500537 66
19646 16 C 22.9069 37.7586 78.0294 0.00199271 -0.00117373 -0.00544666 66
19647 17 C 22.1228 38.8776 77.2872 0.00206878 -0.00171307 0.000702489 66
19648 18 O 23.5491 36.7777 81.6474 -0.000355977 0.00282594 -0.00022006 66
19649 19 O 19.3185 39.4037 81.2256 -0.000648898 0.00379135 -0.000771808 66
19650 20 O 23.3531 41.5514 81.0811 0.000949417 0.00460859 0.001967 66
19651 21 C 23.5196 36.8556 80.2489 -0.00262326 -0.00148096 0.00452739 66
19652 22 C 22.1488 38.7402 75.8327 0.00245233 -0.000256592 -0.00172973 66
19653 23 C 22.0397 38.484 74.6575 -0.000297077 -0.00194785 -0.00309211 66
19654 24 C 21.7951 38.011 73.3436 0.00122085 0.007706 -0.00304632 66
19655 25 C 20.5804 38.4159 72.7288 -0.00349273 -0.00148742 -0.00176653 66
19656 26 C 20.196 37.7939 71.5429 -0.000387825 -0.00169137 0.0017032 66
19657 27 C 20.9775 36.784 70.9609 -0.000509585 -0.00346152 0.0031266 66
19658 28 C 22.2051 36.4187 71.5613 -0.00496183 0.00213721 -0.000592561 66
19659 29 C 22.6231 37.0398 72.7582 -0.0021775 -0.000161565 0.00193115 66
19660 30 C 20.5703 36.2252 69.7172 0.00489058 -0.00325215 -0.000998297 66
19661 31 C 20.3269 35.9868 68.5444 -0.0018893 0.00318517 4.60316e-05 66
19662 32 C 18.1038 32.5979 66.7535 0.000886465 0.000133209 0.00378888 66
19663 33 C 18.0852 32.5301 65.3807 -0.00732539 0.00240488 0.0023214 66
19664 34 C 18.7279 33.4987 64.6031 0.00350406 0.0014926 -0.00347702 66
19665 35 C 19.2931 34.6379 65.1772 -0.00358175 -0.00312548 0.00248791 66
19666 36 C 19.3389 34.6853 66.5993 -0.00210201 -0.00291242 0.00113412 66
19667 37 C 18.7991 33.6312 67.3742 -0.0016532 0.000213863 -3.70339e-05 66
19668 38 C 20.1207 35.8988 67.1077 -0.00151103 0.00190906 -0.0011314 66
19669 39 C 23.8761 36.0057 66.0402 -0.00335583 -0.00183432 -0.00288696 66
19670 40 C 23.7408 35.8634 64.6428 -0.00049577 -0.00148821 0.00156991 66
19671 41 C 22.4535 35.7645 64.0849 0.00455033 -0.000966629 -0.00259846 66
19672 42 C 21.3418 35.8677 64.9296 0.00331684 0.00258828 -0.00274218 66
19673 43 C 21.4522 35.9013 66.3051 -0.00119473 0.00118903 0.00208247 66
19674 44 C 22.7307 36.0092 66.8517 0.00503818 -0.00287353 0.00164894 66
19675 45 C 18.2741 39.2315 66.6315 -0.00335129 -0.0025305 -0.00217281 66
19676 46 C 18.3008 39.3192 65.2434 -0.00129301 -0.00145413 0.00105106 66
19677 47 C 18.7408 38.1895 64.4776 -0.000385577 0.0033803 0.00490961 66
19678 48 C 19.2259 37.0652 65.1379 -0.00365955 -0.00149543 -0.00319659 66
19679 49 C 19.8919 35.829 64.4692 0.0036749 -2.27309e-05 -0.00138345 66
19680 50 C 19.3274 37.0772 66.5461 -0.00202391 -0.00218603 7.36773e-05 66
19681 51 C 18.8202 38.1561 67.3151 -0.000764359 0.00296086 0.00177564 66
19682 52 O 22.2744 35.4447 62.7877 -0.000534959 0.0021633 0.00427168 66
19683 53 O 18.7744 33.2483 63.2172 -0.0025217 0.000986718 -0.00132578 66
19684 54 O 18.7296 38.2249 63.1073 0.000522154 0.00357743 -0.00281087 66
19685 55 C 22.1009 39.0927 79.918 -0.00256319 0.00109605 0.000616565 66
19686 56 C 22.8553 37.8594 79.4707 0.00237914 0.00321688 -0.00575873 66
19687 57 C 21.868 34.1009 62.5726 0.000104591 0.000927117 -0.00350543 66
19688 58 C 21.3216 33.9444 61.1007 -0.00173831 -0.00746159 0.00287912 66
19689 59 C 21.0944 35.1767 60.287 -0.00323878 -0.000282634 -0.00269403 66
19690 60 C 21.0077 34.7589 58.8058 -0.00296388 -0.000312273 -0.00377693 66
19691 61 C 20.5495 35.912 57.9035 -0.000616051 0.000378515 -0.00126278 66
19692 62 C 20.1445 35.4461 56.466 -0.000995932 -0.00627268 0.00128169 66
19693 63 C 21.2516 34.6767 55.7463 -0.00016252 0.00144547 0.00206023 66
19694 64 C 20.9256 34.4515 54.2701 -0.0041 -0.00166052 -0.000207608 66
19695 65 C 21.2217 35.6893 53.4071 -0.00510036 0.000273059 -0.000590196 66
19696 66 C 21.1343 35.3894 51.9246 -0.00182472 -0.00145773 0.00273173 66
19697 67 C 19.6852 35.2251 51.4079 -0.00201615 -0.00182336 -0.000524904 66
19698 68 C 19.6052 35.3228 49.8919 0.0040771 0.00168366 0.00452449 66
19699 69 F 18.9946 38.1633 70.9907 -0.00312001 -0.00104749 -0.00243014 66
19700 70 C 17.6023 33.5743 62.5297 0.000142531 -0.00476876 -0.000157561 66
19701 71 C 17.5899 33.0914 61.0446 -0.000562209 0.00182397 -0.000483139 66
19702 72 C 17.4863 34.2375 60.0201 -0.00355102 0.00115727 0.00182832 66
19703 73 C 17.4913 33.7543 58.5208 -0.000219349 -0.0020333 -0.00594303 66
19704 74 C 16.4823 32.6496 58.2071 0.000728566 0.0044045 0.000924781 66
19705 75 C 15.954 32.7722 56.799 0.00153061 0.0041594 -0.000979958 66
19706 76 C 16.9531 32.5935 55.6501 0.000307435 0.00205533 0.00165679 66
19707 77 C 16.1523 32.719 54.3562 0.000621335 -0.00170016 -0.000763193 66
19708 78 C 17.0139 32.5003 53.1111 -0.00433728 -8.58287e-05 -0.00599656 66
19709 79 C 16.1034 32.7293 51.8978 0.00349664 -0.00216208 0.0013109 66
19710 80 C 16.8237 32.6378 50.5344 -0.00505348 0.00197139 -0.00419482 66
19711 81 C 15.8913 32.7288 49.3276 -0.00111731 0.00231453 0.000560293 66
19712 82 C 19.9599 38.5575 62.4696 -0.00315697 -0.00128226 0.00304729 66
19713 83 C 19.9462 38.3094 60.9324 -5.80823e-05 -0.000642554 0.00471482 66
19714 84 C 19.909 39.5799 60.0734 -0.00046612 -0.00137502 0.000273014 66
19715 85 C 20.7154 39.4971 58.7702 0.00520097 0.000996101 -0.00162316 66
19716 86 C 19.9121 39.5603 57.4724 0.00611067 0.00115149 0.00315756 66
19717 87 C 20.9211 39.3023 56.317 0.000574234 -0.00225626 -0.0020643 66
19718 88 C 20.3923 38.9069 54.9223 0.000113528 0.00286152 0.00414245 66
19719 89 C 19.7535 40.0416 54.1274 0.00116957 0.000225161 -0.00167189 66
19720 90 C 19.4536 39.6206 52.6723 0.00680482 -0.00119368 -0.00381084 66
19721 91 C 20.7371 39.3466 51.8724 -0.000294858 -0.00560656 0.00240518 66
19722 92 C 20.5503 39.2041 50.3817 0.00335025 -0.00714137 -0.00588458 66
19723 93 C 21.7577 38.7135 49.6074 -0.00338756 -0.000787622 -0.00546279 66
19724 94 C 18.0712 39.5601 81.883 -0.000680848 -0.00113398 0.00181458 66
19725 95 C 18.1415 39.1279 83.3479 0.00407747 -0.00101867 -5.26958e-05 66
19726 96 C 16.9711 39.4886 84.1847 -0.00395371 -0.00392327 -0.000872007 66
19727 97 C 17.2275 39.1162 85.6721 -0.00196319 0.00301247 0.000222125 66
19728 98 C 16.2849 39.726 86.7196 0.00258154 0.00136389 -0.0018821 66
19729 99 C 16.8753 39.6068 88.1294 0.00221072 0.00138326 0.0033426 66
19730 100 C 16.0584 40.4432 89.1381 0.000515751 0.00142878 -0.000333238 66
19731 101 C 16.4382 40.0452 90.6217 0.00235227 0.00261199 -0.000533298 66
19732 102 C 17.8656 40.4961 91.0407 -0.00121186 -0.00125179 0.00096752 66
19733 103 C 18.2366 39.8298 92.4138 0.00156404 -0.0029815 0.00141786 66
19734 104 C 17.6705 40.587 93.6302 -0.00418592 -0.00117556 0.00466288 66
19735 105 C 17.724 39.7358 94.8952 0.00258667 0.00298536 -0.00166873 66
19736 106 C 23.4226 42.7968 81.8054 0.000164807 -0.000205175 -0.00243886 66
19737 107 C 23.6403 42.4215 83.2628 -0.000807077 -0.00155327 -0.000573883 66
19738 108 C 23.8249 43.6071 84.2208 0.00216794 -0.000818771 -0.000273014 66
19739 109 C 24.2031 43.0865 85.6734 0.00293756 -0.00221209 0.00136469 66
19740 110 C 24.1625 44.1421 86.7902 0.000550912 0.00284824 0.00503379 66
19741 111 C 24.7572 43.562 88.1107 0.000724971 -9.47175e-05 -0.000652656 66
19742 112 C 24.4208 44.3489 89.3819 0.00144292 -0.00234454 0.00150497 66
19743 113 C 25.1431 43.7788 90.6353 0.00559792 0.00239728 -0.00185662 66
19744 114 C 24.7414 44.4885 91.9175 0.000941016 -0.00246058 -0.00022236 66
19745 115 C 25.3772 43.7968 93.1247 -0.000691628 0.00233867 -0.00136573 66
19746 116 C 24.9421 44.4796 94.4271 -0.00172348 0.000367061 0.00232741 66
19747 117 C 25.4459 43.8883 95.7493 -0.000337423 -0.00194057 0.00179562 66
19748 118 C 24.3292 35.727 82.2887 0.00374846 0.000347226 -0.0040082 66
19749 119 C 24.1249 35.5782 83.8134 -0.00316745 -0.00235191 -0.00243568 66
19750 120 C 24.8732 34.3302 84.3551 -0.00380233 0.00161001 0.00308432 66
19751 121 C 24.8552 33.9004 85.8243 0.00213241 0.0035258 0.00116481 66
19752 122 C 24.6042 34.9293 86.9358 0.00166904 0.00131233 -0.0002755 66
19753 123 C 25.0604 34.2795 88.2377 -0.00230028 -0.000814532 -0.0022893 66
19754 124 C 24.7816 35.1105 89.5035 0.00139155 0.00117486 0.00377724 66
19755 125 C 25.4028 34.4433 90.7365 -0.00490835 0.00148877 0.00328196 66
19756 126 C 24.7675 34.9858 92.0274 0.00403404 -0.00217031 0.00269299 66
19757 127 C 25.2484 34.1968 93.2535 -0.00127399 -0.00520734 0.00112569 66
19758 128 C 24.5026 34.4772 94.5799 0.00179752 0.00301071 -0.000468724 66
19759 129 C 25.0356 35.6605 95.3778 0.00144888 -0.000359181 -0.00330135 66
19760 130 F 19.8096 39.3878 73.258 0.00321109 -0.00121731 0.00303084 66
19761 131 H 24.369 43.3049 79.3488 0.000444967 0.00283474 -0.00449846 66
19762 132 H 24.4803 43.0062 76.9412 0.00761932 -0.00105819 0.0117511 66
19763 133 H 23.448 41.0057 75.8575 0.0164732 -0.0103233 0.00479958 66
19764 134 H 17.2587 39.1475 79.5152 0.00149978 0.000863849 0.0114588 66
19765 135 H 17.3995 38.7592 77.1148 -0.00409058 0.000292376 0.00752393 66
19766 136 H 19.4743 38.6368 75.9831 0.00042824 0.0162531 0.00250316 66
19767 137 H 24.821 35.0588 79.9434 -0.00380058 9.84177e-05 -0.000724349 66
19768 138 H 24.7543 34.9571 77.6232 -0.000415933 -0.00777676 0.0117893 66
19769 139 H 23.5993 36.7282 76.2701 0.0137756 -0.00820606 -0.00428094 66
19770 140 H 22.8828 35.7452 71.045 -0.00960015 0.0111457 -0.0184883 66
19771 141 H 23.5 36.6809 73.289 0.0079787 0.0107774 -0.00750541 66
19772 142 H 17.7046 31.7968 67.3685 0.00393248 -0.0072708 -0.00386999 66
19773 143 H 17.5626 31.7084 64.9001 0.0139397 -0.0207907 0.0189055 66
19774 144 H 18.9305 33.7139 68.449 0.00353874 -0.00114814 -0.000561285 66
19775 145 H 24.8524 36.0628 66.5125 -0.00786503 0.0166124 0.00420263 66
19776 146 H 24.6261 35.7241 64.0295 -0.00126517 0.00223802 -0.000377448 66
19777 147 H 22.8872 36.1101 67.9216 0.00614345 0.00650545 0.000607177 66
19778 148 H 17.8532 40.0975 67.1338 0.0201636 0.00226934 0.00917691 66
19779 149 H 17.8975 40.1934 64.7409 0.000375534 -0.00116302 0.000216611 66
19780 150 H 19.7519 35.8168 63.3812 -0.00843286 -0.000955581 0.000182056 66
19781 151 H 18.8696 38.1399 68.3998 -0.00399592 0.00620488 0.00196504 66
19782 152 H 22.0851 39.198 81.0098 0.0168743 0.00328913 0.000677399 66
19783 153 H 22.7295 33.4446 62.7466 0.00948403 0.0155986 0.00549154 66
19784 154 H 21.0885 33.7353 63.2525 0.00406785 -0.0131292 -0.00647508 66
19785 155 H 20.3559 33.4249 61.1334 -0.0044002 -0.00201024 0.0103941 66
19786 156 H 21.892 33.2002 60.5313 -0.000666874 -0.00592879 0.00195775 66
19787 157 H 21.9525 35.8553 60.3677 -0.0049952 0.00415409 -0.0209947 66
19788 158 H 20.1929 35.6481 60.6975 -0.0076194 -0.00791959 -0.00352604 66
19789 159 H 20.2971 33.9281 58.7139 -0.0138673 0.00748712 0.0100502 66
19790 160 H 21.9754 34.3636 58.4731 -0.00960538 -0.000226814 -0.0231816 66
19791 161 H 21.3585 36.6464 57.8051 -0.00147621 0.00248265 0.00742915 66
19792 162 H 19.7305 36.4334 58.4141 -0.00517121 -0.00544899 -0.00262991 66
19793 163 H 19.9085 36.3511 55.8929 -0.00294727 -0.00553449 0.00324756 66
19794 164 H 19.2518 34.809 56.4402 -0.00619728 0.0016798 -0.0157588 66
19795 165 H 21.4319 33.7235 56.2584 0.0163476 -0.0075435 -0.0205231 66
19796 166 H 22.1621 35.2884 55.7547 -0.00134066 0.00322075 0.00107041 66
19797 167 H 19.8938 34.1174 54.105 -0.0090101 0.0112201 0.00446364 66
19798 168 H 21.5865 33.6594 53.8971 0.00163706 0.00952091 -0.0138284 66
19799 169 H 22.2002 36.1247 53.6444 -0.0134774 0.0118918 0.0127459 66
19800 170 H 20.512 36.4944 53.6341 -0.00159716 0.00360841 -0.00144532 66
19801 171 H 21.6549 34.4476 51.7114 -0.00214689 -1.51808e-05 -0.00441368 66
19802 172 H 21.6207 36.1916 51.3562 -0.00750497 0.0086581 0.0121537 66
19803 173 H 19.0734 36.0403 51.8135 -0.000846396 0.00140693 -0.00524764 66
19804 174 H 19.2804 34.273 51.773 -0.00615286 0.000100222 -0.000102878 66
19805 175 H 18.5979 35.2014 49.4748 0.0055131 -0.0122163 0.00507068 66
19806 176 H 20.2393 34.5699 49.4077 0.00111679 0.00077506 0.00205726 66
19807 177 H 20.0365 36.2659 49.5341 -0.000590761 -0.00220335 -0.0113764 66
19808 178 H 16.8237 33.0376 63.0857 -0.00859161 -0.0100371 -0.0175159 66
19809 179 H 17.4903 34.6655 62.5443 -0.00196994 -0.00503248 0.00289368 66
19810 180 H 18.4577 32.446 60.8609 -0.0049684 -0.00959846 0.018662 66
19811 181 H 16.7273 32.435 60.8756 -0.0027178 0.00804752 -0.0137662 66
19812 182 H 16.5596 34.7891 60.2211 0.00448794 0.00934686 0.0164458 66
19813 183 H 18.2836 34.9703 60.1952 -0.00573717 0.000920534 0.0127998 66
19814 184 H 17.4055 34.6153 57.8464 -0.00663486 -0.000614357 -0.00329967 66
19815 185 H 18.4641 33.3157 58.2666 0.00125065 -0.00705597 0.00835799 66
19816 186 H 16.9422 31.6647 58.3553 0.00529854 0.00552552 -0.0058585 66
19817 187 H 15.6314 32.6833 58.8986 0.00496871 0.00769283 0.00598228 66
19818 188 H 15.1557 32.0326 56.6612 0.00568041 -0.000257049 -0.00131654 66
19819 189 H 15.5033 33.7633 56.6648 -0.0119398 -0.00219873 -0.00264259 66
19820 190 H 17.7215 33.3755 55.6114 -0.00906277 0.0120115 0.0174996 66
19821 191 H 17.4584 31.6273 55.7709 0.00169661 0.000959309 -0.0131173 66
19822 192 H 15.3344 31.989 54.396 0.00423771 -0.0061061 -0.0075303 66
19823 193 H 15.6372 33.687 54.3258 0.00935771 0.00301049 0.00174734 66
19824 194 H 17.7692 33.2922 53.188 -0.000204416 -0.00505099 0.0046942 66
19825 195 H 17.4843 31.5094 53.1286 0.0195619 0.0113048 -0.00408569 66
19826 196 H 15.2256 32.0716 51.8788 -0.0129979 0.0200209 -0.0094231 66
19827 197 H 15.6124 33.7017 52.0273 0.0128548 0.00309291 -0.00288801 66
19828 198 H 17.6086 33.3958 50.4219 -0.00510577 0.0029438 0.00205646 66
19829 199 H 17.3193 31.6595 50.505 -0.00459764 0.0018591 0.00700037 66
19830 200 H 16.4288 32.7657 48.372 0.00446654 -0.0118237 0.00317203 66
19831 201 H 15.1617 31.91 49.3052 0.00341856 -0.00156413 -0.0048902 66
19832 202 H 15.2807 33.6395 49.3633 0.00147617 0.00372085 0.00883445 66
19833 203 H 20.2118 39.5956 62.719 0.00533998 -0.00224259 -0.00154905 66
19834 204 H 20.7769 37.9701 62.9066 0.0109443 0.011405 -0.00619374 66
19835 205 H 20.9117 37.8225 60.7474 -0.000914379 -0.000312393 -0.000593534 66
19836 206 H 19.1711 37.604 60.6083 -0.00216934 0.00128489 0.00557406 66
19837 207 H 18.8513 39.7282 59.823 -0.00577137 -0.00583852 0.01997 66
19838 208 H 20.255 40.4312 60.6726 0.00661412 -0.00604208 0.00281538 66
19839 209 H 21.3715 40.3762 58.7768 -0.00537606 0.00896464 -0.0117667 66
19840 210 H 21.4104 38.6486 58.7893 -0.00594014 -0.00780167 0.0115928 66
19841 211 H 19.1208 38.8017 57.5154 0.0078453 -0.00150826 -0.0122204 66
19842 212 H 19.3913 40.5164 57.3378 -0.00187633 -0.00275377 0.00624661 66
19843 213 H 21.661 40.1071 56.2271 -0.00279007 -0.000326086 -0.0125034 66
19844 214 H 21.5207 38.4286 56.601 0.00577179 0.00525475 0.0100864 66
19845 215 H 21.2585 38.5117 54.3773 -0.00544085 0.00546228 -0.00656059 66
19846 216 H 19.63 38.1348 55.0846 -0.00122566 -0.00114604 -0.0216148 66
19847 217 H 18.831 40.3659 54.6244 0.0032466 0.00510394 -0.00099123 66
19848 218 H 20.3914 40.9294 54.0361 0.00508321 -0.00368782 -0.0125966 66
19849 219 H 18.7693 38.7632 52.6805 0.00993651 -0.00343307 0.0253005 66
19850 220 H 18.924 40.4031 52.115 -0.00561122 -0.00188187 0.00706448 66
19851 221 H 21.558 40.0479 52.0664 -0.0114935 0.00281126 0.0191241 66
19852 222 H 21.1096 38.3721 52.2117 0.0069068 -0.00454126 -0.00244909 66
19853 223 H 19.7189 38.5141 50.1923 -0.0264451 0.0195547 0.0276313 66
19854 224 H 20.2384 40.1767 49.9813 -0.00165202 -0.00282637 0.00848663 66
19855 225 H 21.5202 38.6048 48.5419 0.00454193 -0.00740111 -0.00657219 66
19856 226 H 22.5903 39.4273 49.635 -0.00601493 0.00219942 -0.00361753 66
19857 227 H 22.1185 37.7242 49.915 0.00369693 -0.00201872 -0.0176279 66
19858 228 H 17.7145 40.5938 81.7964 0.0187923 0.00447134 -0.0110302 66
19859 229 H 17.2779 38.927 81.4666 -0.00630269 0.00403994 0.00462766 66
19860 230 H 18.2879 38.0441 83.4326 -0.0259383 -0.00602664 -0.012853 66
19861 231 H 19.0514 39.5986 83.7404 0.00400027 -0.00930151 0.010027 66
19862 232 H 16.8328 40.5725 84.087 -0.0155534 -0.00451527 0.00866634 66
19863 233 H 16.0331 39.0763 83.7929 -0.0151551 0.0124129 0.0086741 66
19864 234 H 17.2861 38.0324 85.8317 -0.000905568 0.00237722 -0.00448315 66
19865 235 H 18.2026 39.5621 85.9041 -0.000534692 0.000939425 -0.0018115 66
19866 236 H 16.089 40.7845 86.5084 0.00722829 0.000429043 -0.0108596 66
19867 237 H 15.3221 39.216 86.5918 0.000935223 0.00458084 -0.00232154 66
19868 238 H 16.8883 38.5715 88.4919 0.00561892 0.00206718 0.00516744 66
19869 239 H 17.8799 40.0467 88.1043 -0.000548059 0.00780963 0.00491224 66
19870 240 H 16.3283 41.4998 89.0193 -0.010077 0.00365495 -0.00431603 66
19871 241 H 14.9776 40.2852 89.0369 0.00174999 -0.0062735 -0.00154229 66
19872 242 H 15.6896 40.4272 91.3267 0.00444389 0.000990161 0.00256613 66
19873 243 H 16.4122 38.9565 90.7538 0.00524482 0.00109003 -0.012624 66
19874 244 H 18.5974 40.1645 90.2938 0.000981137 0.00383359 0.000849317 66
19875 245 H 17.9897 41.5859 91.0235 -0.00310158 -0.000921393 0.00905621 66
19876 246 H 17.8845 38.7909 92.4277 0.0110971 -0.00619751 0.00285662 66
19877 247 H 19.327 39.7522 92.5049 0.00191772 0.00577533 0.00454463 66
19878 248 H 18.2194 41.5325 93.7204 -0.00830159 0.00190969 -0.00244648 66
19879 249 H 16.6382 40.8695 93.3895 -0.000757343 -0.00276909 -0.0120238 66
19880 250 H 18.7779 39.5899 95.1622 -0.00244829 0.003509 0.0184398 66
19881 251 H 17.248 40.3074 95.7016 0.00916226 -0.0147098 0.0147037 66
19882 252 H 17.2586 38.7613 94.7022 0.00056472 -0.0002647 0.0198225 66
19883 253 H 24.2495 43.4235 81.4491 0.00228667 -0.0160314 -0.0253606 66
19884 254 H 22.4827 43.3595 81.7477 0.00581717 0.00982248 0.0030996 66
19885 255 H 22.8814 41.7114 83.6139 -0.00949343 8.70549e-05 -0.0160686 66
19886 256 H 24.5941 41.8827 83.2039 0.00526119 0.0101062 -0.00923062 66
19887 257 H 24.614 44.2558 83.8209 0.00658793 -0.00209537 0.00636941 66
19888 258 H 22.824 44.0423 84.11 -0.00109859 -0.00927782 -0.00427703 66
19889 259 H 23.5527 42.2772 86.0276 0.00407803 -0.000408381 0.00761968 66
19890 260 H 25.1936 42.615 85.675 0.000551608 -0.0072521 -0.0100828 66
19891 261 H 24.7897 44.9717 86.4414 -0.000837355 0.00683063 0.0120493 66
19892 262 H 23.1391 44.5049 86.9463 0.00198462 0.0116456 -0.00602058 66
19893 263 H 24.4273 42.5227 88.2304 0.00494792 -0.00315392 -0.0154429 66
19894 264 H 25.8456 43.4643 88.0143 0.000158376 -0.0166067 0.0094607 66
19895 265 H 24.6873 45.4108 89.3124 0.00766162 -0.00403247 -0.000344235 66
19896 266 H 23.3352 44.3483 89.5401 0.000173703 0.00317688 -0.00717698 66
19897 267 H 24.8953 42.7136 90.7218 0.0032351 0.00330113 0.00247442 66
19898 268 H 26.2312 43.8211 90.5025 0.00608274 -0.00640836 -0.000729186 66
19899 269 H 24.9648 45.5624 91.9049 0.00398367 -0.003146 -0.0041596 66
19900 270 H 23.6528 44.4149 92.0317 0.00184268 -0.00826411 0.00466087 66
19901 271 H 25.1488 42.7242 93.1513 0.0275147 -0.00379058 -0.00656915 66
19902 272 H 26.4573 43.9798 93.0664 -0.00274038 0.0149965 -0.00024184 66
19903 273 H 25.2819 45.5218 94.3844 0.0101894 -0.00390485 -0.00690696 66
19904 274 H 23.8488 44.556 94.4741 -0.00292717 -0.00940046 -0.0105561 66
19905 275 H 24.9253 44.3314 96.6072 0.0110928 -0.00157841 0.00852582 66
19906 276 H 25.2733 42.8057 95.7084 0.00477284 -0.00233165 -0.0100703 66
19907 277 H 26.5309 44.0478 95.7772 0.000901889 -0.0142641 0.0223406 66
19908 278 H 24.1647 34.7331 81.8545 0.00863261 -0.00697871 0.0108439 66
19909 279 H 25.3946 35.9238 82.1168 0.00438817 -0.00520374 -0.00642571 66
19910 280 H 23.0452 35.4884 83.9853 -0.00505031 0.00445428 -0.01069 66
19911 281 H 24.5001 36.4433 84.3739 -0.0031635 0.00337174 -0.0112957 66
19912 282 H 25.9121 34.2375 84.0155 -0.0111702 -0.000563481 -0.0188539 66
19913 283 H 24.4492 33.4724 83.8188 0.0068879 -0.000472773 -0.00203116 66
19914 284 H 25.8243 33.4294 86.0302 0.000124595 -0.00609122 -0.0114185 66
19915 285 H 24.1668 33.0483 85.8833 0.0111788 -0.00395071 -0.000923191 66
19916 286 H 23.5534 35.2429 86.9635 -0.00167992 -0.0113576 0.0148969 66
19917 287 H 25.1503 35.8662 86.7703 -0.00542674 0.0102972 0.0270225 66
19918 288 H 26.133 34.0569 88.1798 -0.000969001 0.00581688 -0.00292246 66
19919 289 H 24.6336 33.2767 88.3633 -0.00575628 0.00198411 0.00830918 66
19920 290 H 23.69 35.1974 89.568 0.00238 0.00754229 0.0117145 66
19921 291 H 25.1693 36.1345 89.4363 -0.00893444 0.00561558 0.0116668 66
19922 292 H 26.4854 34.5952 90.8279 -0.00578799 0.00771495 0.00334741 66
19923 293 H 25.2461 33.3624 90.634 0.0113154 -0.00134183 0.00836651 66
19924 294 H 23.6926 34.7826 91.9456 0.00455114 -0.0017055 -0.00523711 66
19925 295 H 25.0105 36.0504 92.1331 0.0031115 -0.00161497 -0.000782785 66
19926 296 H 26.3033 34.4821 93.3495 -0.00564239 0.00673529 0.0137173 66
19927 297 H 25.1784 33.1455 92.9482 0.0137758 -0.00521226 -0.00235842 66
19928 298 H 24.5807 33.596 95.2286 -0.00355789 0.0110005 0.0110352 66
19929 299 H 23.448 34.578 94.295 -0.00345386 -0.00892838 0.0148222 66
19930 300 H 24.4016 35.7907 96.2635 0.013183 0.0211459 0.00192575 66
19931 301 H 25.0554 36.6055 94.8211 -0.00397767 -0.00181135 -0.00595553 66
19932 302 H 26.0373 35.4333 95.763 -0.000856417 0.00746599 0.00736126 66
19933 1 C 28.2972 35.5652 80.241 -0.00364736 0.00189501 0.00289117 67
19934 2 C 28.2698 35.4248 78.8279 0.00303881 -0.00386084 -0.000908584 67
19935 3 C 27.5411 34.3907 78.2362 -0.0027877 -0.00157395 -0.00113887 67
19936 4 C 26.843 33.478 79.0321 0.00150583 0.0024585 0.00364583 67
19937 5 C 26.8155 33.6293 80.4436 -0.000775033 0.00352844 -0.000511354 67
19938 6 C 27.5697 34.6812 81.0763 -0.00197628 -0.00279878 0.000597122 67
19939 7 C 22.1479 32.5134 80.0786 0.00162345 -7.9144e-05 -0.000114493 67
19940 8 C 22.2789 32.3812 78.6987 -0.000150267 0.000342223 -0.00158928 67
19941 9 C 23.5252 32.3872 78.1379 0.00102269 0.000378655 -0.00076952 67
19942 10 C 24.6568 32.4333 78.9954 -0.00316556 -0.000267217 0.00332566 67
19943 11 C 24.5871 32.5382 80.3933 -0.00105241 -0.00195609 -0.00121267 67
19944 12 C 23.2763 32.5559 80.9528 6.197e-05 0.00125462 -0.00136831 67
19945 13 C 27.6329 28.9858 80.7866 -0.00196144 0.00523394 -0.00355992 67
19946 14 C 27.6783 28.8802 79.3696 -0.0020679 0.0048299 0.00102934 67
19947 15 C 27.2042 29.9235 78.5742 -0.000410088 -0.00456089 -0.000162892 67
19948 16 C 26.6576 31.0583 79.2133 0.000913472 0.00480302 -0.000883872 67
19949 17 C 26.1007 32.2986 78.4698 -0.00442403 0.00206564 -0.00177533 67
19950 18 O 27.3967 30.2619 82.7903 -0.00269085 -0.000263492 -0.00279241 67
19951 19 O 23.0629 32.5803 82.3391 0.0030958 -0.000416428 -0.00404694 67
19952 20 O 27.5609 34.9688 82.4567 0.00135631 0.000952792 0.000870159 67
19953 21 C 27.2056 30.1528 81.4247 0.000498903 -0.00261995 -0.00214744 67
19954 22 C 26.2043 32.1505 77.0162 -0.00111495 -0.00178584 -0.000883134 67
19955 23 C 26.1095 31.9238 75.8382 -0.00399579 0.000695552 -0.00229508 67
19956 24 C 25.8632 31.5413 74.4703 -0.00294267 -0.00199695 0.00583097 67
19957 25 C 25.1971 32.4383 73.6077 -0.00235136 0.00809397 0.00444897 67
19958 26 C 24.6556 31.9304 72.3897 -0.00301968 0.00016998 -0.00196283 67
19959 27 C 24.7609 30.5421 72.0889 0.000546345 -0.00219483 -0.000667748 67
19960 28 C 25.4538 29.694 72.9636 0.00508309 0.00257701 0.00506635 67
19961 29 C 26.0426 30.1978 74.1308 -0.00252328 -0.000519762 9.04508e-05 67
19962 30 C 24.2674 30.0429 70.8163 9.58796e-05 -0.0030044 -0.000525281 67
19963 31 C 23.9892 29.6317 69.7017 0.000661417 -0.00683028 -0.00311555 67
19964 32 C 22.3255 25.8405 67.9826 -0.00171321 -0.0021571 -0.00586936 67
19965 33 C 22.2802 25.7805 66.554 0.00512801 0.00136114 -0.00536762 67
19966 34 C 22.8288 26.8347 65.7409 -0.000909092 -0.00219133 -0.00432013 67
19967 35 C 23.4179 27.8912 66.3737 -0.00447771 0.00266605 -0.000985201 67
19968 36 C 23.3997 28.0011 67.7782 0.00122517 -0.00183101 -0.00177553 67
19969 37 C 22.8824 26.9736 68.5712 -0.00346236 -0.000778003 -0.00364503 67
19970 38 C 23.9723 29.3587 68.2794 0.00122364 -0.00400992 0.000859987 67
19971 39 C 27.8416 29.4318 67.6944 -0.00349584 -0.00214607 0.00526708 67
19972 40 C 27.8486 29.489 66.2929 0.000592346 -0.000686227 -0.000848601 67
19973 41 C 26.6147 29.4683 65.5904 -0.00336008 -0.00536069 0.00200733 67
19974 42 C 25.4096 29.2957 66.2977 0.00136021 0.00206666 0.00359372 67
19975 43 C 25.3912 29.3916 67.7095 0.000974632 0.00131944 0.00398488 67
19976 44 C 26.6431 29.4009 68.3994 -0.00110257 -0.00983203 0.00250299 67
19977 45 C 21.9571 32.5283 67.1947 0.00319073 -0.00189139 0.000539455 67
19978 46 C 21.896 32.2944 65.8176 0.00245667 -0.00115227 -0.00431387 67
19979 47 C 22.5735 31.2107 65.2341 -0.00104789 -0.00142763 -0.000971747 67
19980 48 C 23.2128 30.2833 66.0686 -0.00445539 -0.00248108 0.00221633 67
19981 49 C 24.0445 29.0937 65.651 -0.00329898 0.00489542 -0.000177609 67
19982 50 C 23.2038 30.4337 67.456 0.00396515 0.00273683 -0.000381391 67
19983 51 C 22.6192 31.5955 68.0191 0.00107493 0.000409897 -0.00372568 67
19984 52 O 26.5967 29.7537 64.2448 -0.00174256 0.000928505 0.00245597 67
19985 53 O 22.7643 26.8014 64.3599 -0.000803403 0.00166282 -0.00212911 67
19986 54 O 22.7149 31.1783 63.8531 -0.00425114 0.0018101 -0.00597109 67
19987 55 C 25.984 32.5206 81.1258 0.00346966 0.000856485 -0.00360372 67
19988 56 C 26.6261 31.1853 80.6435 0.000586297 0.00556194 7.84162e-05 67
19989 57 C 26.4322 28.765 63.2133 0.00101133 -0.00265356 0.00142603 67
19990 58 C 25.9744 29.5766 61.9916 -0.000917674 0.00566393 -0.00508897 67
19991 59 C 25.714 28.7841 60.683 0.00203138 0.00313423 -0.00396356 67
19992 60 C 25.4596 29.6971 59.4802 0.00193943 0.00307551 -0.00273716 67
19993 61 C 25.1817 28.7699 58.2536 -0.00639571 -0.00439968 0.0011449 67
19994 62 C 25.0376 29.5375 56.9008 0.000708897 0.00224082 0.0012099 67
19995 63 C 24.8439 28.6416 55.6779 -0.000576215 -0.00214463 0.00245458 67
19996 64 C 24.7466 29.4655 54.4036 -0.000656091 0.00263053 -0.00157729 67
19997 65 C 25.1203 28.7123 53.075 0.00280947 -0.00220584 -0.00105702 67
19998 66 C 23.914 28.0289 52.3947 0.000114023 -0.00288555 0.00461924 67
19999 67 C 24.1469 27.9033 50.8529 0.00572606 0.0032779 -0.00469103 67
20000 68 C 23.8687 29.249 50.1342 -0.00108908 -0.0012152 0.000529114 67
20001 69 F 23.9614 32.7268 71.5608 -0.00141923 0.00121656 0.0026696 67
20002 70 C 23.1952 25.6175 63.682 -0.00292661 -0.00442204 0.000416889 67
20003 71 C 23.798 26.1014 62.333 -0.00262351 -0.000696366 -0.00378567 67
20004 72 C 24.1215 24.9591 61.362 -7.13172e-05 -0.00126676 0.00104952 67
20005 73 C 23.8556 25.3236 59.8997 0.00250308 -0.00120336 0.00180237 67
20006 74 C 24.3923 24.1952 58.9437 -0.00268349 0.00203423 0.000561604 67
20007 75 C 24.8884 24.7651 57.5897 -0.00119855 0.00343219 -0.001336 67
20008 76 C 23.8514 24.6264 56.41 0.00197552 -0.00378615 0.00382791 67
20009 77 C 24.5318 24.8846 55.0356 -0.00360606 0.00203244 -0.00188105 67
20010 78 C 23.6215 24.5419 53.8261 0.00369335 0.00399897 -0.000453932 67
20011 79 C 24.4703 24.4913 52.5341 0.00208158 0.00226961 0.00602235 67
20012 80 C 23.6917 24.2245 51.2516 0.00425665 0.000585821 -0.000161746 67
20013 81 C 24.5972 23.8215 50.1138 0.00101015 -0.00165027 0.00332995 67
20014 82 C 22.1006 30.1703 63.025 0.000235421 0.00616743 0.000999324 67
20015 83 C 22.0879 30.6873 61.5589 -0.000775093 -0.00312461 -0.00508615 67
20016 84 C 21.7552 29.535 60.5878 -0.00316794 0.00245816 -0.00211871 67
20017 85 C 21.7293 29.9303 59.1051 -0.000427389 -0.00275365 0.000380262 67
20018 86 C 20.6216 30.9981 58.72 -0.00128127 0.000237799 0.00250941 67
20019 87 C 19.9501 30.8157 57.3557 0.000711817 -0.00533179 -0.000102902 67
20020 88 C 20.904 30.6444 56.1705 -0.00209283 -0.00170032 0.00169488 67
20021 89 C 20.2034 30.9559 54.8468 0.00501653 0.00369663 -0.0017071 67
20022 90 C 21.2422 30.886 53.6825 -0.00148242 0.00026066 -0.00238523 67
20023 91 C 20.791 31.472 52.3508 -0.00070449 4.64723e-05 0.00182347 67
20024 92 C 20.1585 30.3358 51.4724 0.00146961 0.00703746 0.00298495 67
20025 93 C 19.9536 30.8476 50.0266 -0.000471759 -0.00336319 -0.00339015 67
20026 94 C 21.7975 33.0616 82.8347 0.0013121 -0.00388523 0.0043016 67
20027 95 C 21.7528 32.9576 84.3811 0.00101094 0.00315587 -0.00268206 67
20028 96 C 20.3211 33.0312 84.9899 0.000491747 0.00174753 -0.000347435 67
20029 97 C 20.2072 32.5956 86.4362 0.00146653 0.00197128 0.00369456 67
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20597 61 C 32.986 29.3011 58.5917 -0.00133804 -0.00033054 -0.00550332 69
20598 62 C 32.9198 29.8294 57.1217 0.00177432 -0.00278832 0.00383151 69
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20600 64 C 32.7602 29.2953 54.6826 -0.000987472 0.00112749 -0.00165963 69
20601 65 C 32.582 28.1855 53.6119 -0.00218168 -0.00237423 -0.00363154 69
20602 66 C 32.5823 28.7785 52.1677 0.00256399 -0.000573659 0.000832676 69
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20604 68 C 32.2777 28.1796 49.6534 -0.00170319 0.0025774 -0.00347979 69
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20609 73 C 32.3107 25.2278 59.4395 0.00319893 0.00141941 0.00141207 69
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20624 88 C 28.8451 29.6803 55.9511 -0.00148797 0.000782389 0.000823378 69
20625 89 C 28.1837 30.1146 54.6447 -0.00119622 -0.00464572 0.00208826 69
20626 90 C 29.1596 30.8033 53.6379 0.00177456 -0.00214407 0.00129794 69
20627 91 C 28.5735 30.9041 52.2254 0.00064165 0.00589493 0.0011107 69
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20631 95 C 29.8798 33.0495 84.7278 0.00209531 -0.00213031 -0.00412229 69
20632 96 C 28.4776 33.0745 85.3656 -0.000786302 -0.00275309 0.00235585 69
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20635 99 C 28.6598 32.3398 89.2431 -0.00485159 -0.00326675 0.000487597 69
20636 100 C 29.1103 32.9865 90.5801 -0.000326218 0.00273167 -2.49134e-05 69
20637 101 C 28.4372 32.2921 91.7789 0.000777559 -0.0012033 0.00259113 69
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20639 103 C 28.0822 32.0814 94.3067 -0.00152482 0.000442038 -0.00190233 69
20640 104 C 28.5404 32.4456 95.7493 0.000349449 -0.00276972 0.00111769 69
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20643 107 C 35.8237 36.3291 84.0201 0.00212112 -0.000775843 -0.00110544 69
20644 108 C 36.5506 37.6025 84.5305 0.00147716 -0.00272917 0.00294135 69
20645 109 C 36.3548 37.9124 86.0285 -0.000301238 -0.00183323 -0.00393954 69
20646 110 C 37.1241 36.9842 86.9661 0.00186718 -0.00202652 0.00200576 69
20647 111 C 37.2752 37.5562 88.4163 0.000267483 -0.00180192 -0.00116975 69
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20649 113 C 36.7142 37.3038 90.8654 -0.00138154 -0.00312813 -0.00293276 69
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20662 126 C 36.4055 27.6322 93.275 -0.000398651 0.00266162 0.00211762 69
20663 127 C 37.3838 27.4967 94.4959 -0.000508685 0.0011428 0.00266637 69
20664 128 C 36.7587 27.8539 95.8365 -0.00214123 -0.00382624 0.000832319 69
20665 129 C 37.6283 27.4398 97.0226 -0.00229847 -0.00191348 -0.0027233 69
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21142 2 C 43.8413 35.3606 78.5977 0.00204646 0.00078377 -0.00135239 71
21143 3 C 43.1628 34.3773 77.899 0.00344498 -0.000985386 0.00243651 71
21144 4 C 42.4417 33.3823 78.5894 -0.000417697 -0.00240584 9.58756e-05 71
21145 5 C 42.407 33.4224 80.0032 0.00125107 -0.00371987 0.00245193 71
21146 6 C 43.0402 34.4755 80.7062 0.00488694 -0.000592155 0.000470334 71
21147 7 C 37.7603 32.3115 79.5869 0.000134441 -0.000232191 -0.00356797 71
21148 8 C 37.8437 32.2689 78.1758 -0.0017208 -0.00397679 -0.000439584 71
21149 9 C 39.1005 32.3108 77.5671 -0.00107853 -0.000899946 -0.00357883 71
21150 10 C 40.2566 32.3125 78.4243 -0.00105321 -0.00163141 -0.00107241 71
21151 11 C 40.1886 32.3138 79.8471 -0.000886075 -0.0010326 0.0028874 71
21152 12 C 38.8885 32.3483 80.4395 0.000424088 -0.00125199 0.00169938 71
21153 13 C 43.4575 28.8548 79.9246 -0.00472525 -0.000739795 0.00904325 71
21154 14 C 43.3415 28.7908 78.5188 -0.000660326 -0.00226869 0.00171816 71
21155 15 C 42.8038 29.8786 77.8736 0.0011213 0.00248283 -0.00356185 71
21156 16 C 42.2359 30.9652 78.5749 -0.000328886 -0.000607504 -0.00105046 71
21157 17 C 41.6895 32.2414 77.9037 -0.00213516 0.000327175 -0.00361463 71
21158 18 O 43.1925 29.9511 82.028 0.00194773 0.00432169 0.00333869 71
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21161 21 C 42.9491 29.9027 80.677 -0.00400983 0.000305644 0.00386708 71
21162 22 C 41.7963 32.1708 76.4268 -0.00225516 0.000917688 0.0035099 71
21163 23 C 41.7675 31.9086 75.2281 -0.00103406 -0.00241436 -0.000379715 71
21164 24 C 41.5504 31.4268 73.8935 0.000703165 0.00371587 -0.000569297 71
21165 25 C 41.2087 32.3137 72.8486 -0.000727191 0.00383335 -0.00359199 71
21166 26 C 40.7637 31.8085 71.6204 -0.00412988 0.00393005 -0.0033469 71
21167 27 C 40.5418 30.455 71.4634 -0.000823457 0.00104073 3.71481e-05 71
21168 28 C 40.8662 29.5348 72.4974 0.000998631 0.00261414 -0.00296051 71
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21623 181 H 41.8319 34.9131 60.6903 0.00473262 -0.0159673 -0.00536583 72
21624 182 H 39.4545 33.1096 59.9755 0.0114353 -0.0126118 0.00544638 72
21625 183 H 40.1138 34.4878 59.1365 -0.012313 0.000817355 0.00293421 72
21626 184 H 42.3621 33.1648 58.9207 0.00801518 -0.0171872 0.0179975 72
21627 185 H 41.4533 31.8076 59.6177 0.00341564 -0.00629218 -0.0147369 72
21628 186 H 41.5516 31.6446 57.1915 0.00733276 -0.00363424 0.012964 72
21629 187 H 39.8867 31.9243 57.641 0.00893591 -0.00706144 -0.00913089 72
21630 188 H 39.7447 34.0883 56.7159 0.00150488 0.00713869 -0.00948784 72
21631 189 H 41.4277 34.4326 56.9859 -0.00121042 0.00257611 0.00601509 72
21632 190 H 41.3492 34.1778 54.6613 -0.00402325 0.002508 0.00830978 72
21633 191 H 41.9746 32.641 55.1531 -0.000245982 0.00573275 0.00120692 72
21634 192 H 39.6986 31.6457 55.0232 -0.00576953 -0.00553176 -0.00317913 72
21635 193 H 39.0388 33.1792 54.4429 -0.0105112 -0.0142742 -0.0109807 72
21636 194 H 41.3406 31.675 53.0227 -0.00111543 -0.0115542 0.00257233 72
21637 195 H 39.6212 31.3226 52.7062 -0.00959487 0.0167226 -0.0145668 72
21638 196 H 39.2687 33.5977 51.9271 0.00195495 -0.00466949 -0.00368483 72
21639 197 H 40.9108 34.0871 52.3476 -0.00378169 0.00235861 0.00853789 72
21640 198 H 40.5135 33.8529 50.0288 0.0101217 0.00835411 0.00942637 72
21641 199 H 41.6851 32.5305 50.4318 1.44992e-05 -0.00640108 0.00333017 72
21642 200 H 39.8811 31.7069 48.8538 0.00646247 -0.00228456 0.00267215 72
21643 201 H 39.8873 30.8856 50.4104 -0.0094009 -0.00599364 0.000527351 72
21644 202 H 38.6916 32.1587 50.0237 -0.00310126 0.00134198 -0.0156733 72
21645 203 H 43.4749 40.4236 63.4579 0.00598814 -0.00404993 0.013426 72
21646 204 H 44.3549 38.8683 63.2117 -0.00166074 0.00292093 -0.00433457 72
21647 205 H 43.2933 38.431 61.1732 -0.00196671 0.00243886 -0.00485416 72
21648 206 H 42.0457 39.6749 61.4453 0.000371341 0.00235219 0.0114653 72
21649 207 H 43.1903 41.3888 60.5113 0.0101416 0.011686 -0.00141639 72
21650 208 H 44.7156 40.9292 61.2591 -0.015999 0.0232705 0.00135542 72
21651 209 H 45.3419 40.4987 59.1449 -0.00604818 0.00983938 -0.000406338 72
21652 210 H 44.6668 38.9552 59.3618 -0.0179249 -0.00124443 -0.0129344 72
21653 211 H 42.5026 39.6931 58.3514 0.00334031 -0.00406963 -0.0106628 72
21654 212 H 43.2422 41.3398 58.1492 0.0182385 0.00304214 -0.00242276 72
21655 213 H 44.9591 40.4025 56.6709 -8.59978e-05 -0.00238181 -0.0146918 72
21656 214 H 44.1439 38.7818 56.8869 -0.0238023 -0.00322523 -0.00656644 72
21657 215 H 42.1419 39.9114 55.7331 -0.00748989 0.00723976 -0.022845 72
21658 216 H 43.1591 41.3032 55.417 0.0178445 -0.00236501 0.00585146 72
21659 217 H 44.846 39.6458 54.2562 -0.000550217 -0.00848832 0.00851979 72
21660 218 H 43.5843 38.4201 54.3358 -0.00638704 -0.000330724 -0.0103067 72
21661 219 H 42.1367 39.5148 52.868 0.00154383 -0.00620163 0.0100581 72
21662 220 H 42.9721 41.076 52.9886 -0.00722168 -0.000973619 -0.00359103 72
21663 221 H 44.8735 40.3842 51.8728 -0.00453828 0.00487081 -0.00169055 72
21664 222 H 44.5109 38.6527 51.9839 -0.0151739 -0.00850376 0.00326679 72
21665 223 H 42.6623 39.035 50.2177 0.00723094 -0.0052033 0.00164428 72
21666 224 H 43.052 40.7768 50.29 -0.000383292 -0.00277693 0.00839059 72
21667 225 H 45.2888 38.7541 49.5848 -0.0021371 -0.000269356 -0.00404049 72
21668 226 H 44.0899 39.2492 48.4109 -0.00226374 0.00555732 -0.00238284 72
21669 227 H 45.1416 40.4643 49.234 0.0167126 -0.00974518 0.00391144 72
21670 228 H 40.7684 39.6122 81.3134 0.00221359 0.0160882 0.0146504 72
21671 229 H 41.0876 37.9559 81.8647 0.00107225 0.00102922 0.00390399 72
21672 230 H 42.0819 39.1452 84.0216 0.00591135 0.0199275 0.00960664 72
21673 231 H 41.5048 40.6197 83.3386 -0.00412439 -0.00171982 -2.90167e-05 72
21674 232 H 39.1157 39.7201 83.3862 0.00657348 0.00164074 -0.0194659 72
21675 233 H 39.6739 38.2356 84.0133 -0.00109731 0.00208479 0.00903906 72
21676 234 H 39.9953 40.8712 85.5627 0.00507617 -0.000111677 0.0205277 72
21677 235 H 38.7464 39.6408 85.7318 0.00292736 0.00279015 0.00921788 72
21678 236 H 40.2414 38.0154 86.4924 -0.00357134 0.00207174 -9.25125e-05 72
21679 237 H 41.6481 39.1234 86.2966 0.00635931 -0.000223606 0.00242008 72
21680 238 H 40.8216 40.5878 88.0447 0.000539639 -0.00372871 0.00598397 72
21681 239 H 39.2384 39.8487 88.0228 0.00266487 0.00109983 0.000657277 72
21682 240 H 40.3367 37.7605 88.9963 0.00529311 -0.00035827 -0.0042703 72
21683 241 H 41.8293 38.7121 89.2244 0.00367602 -0.00446367 0.0173929 72
21684 242 H 40.354 40.4318 90.4747 0.00268044 -0.00339126 0.012685 72
21685 243 H 39.0969 39.2289 90.4694 0.000618468 -0.0170968 0.0080055 72
21686 244 H 40.7175 37.6696 91.7414 -0.00691964 0.000410749 -0.0029471 72
21687 245 H 41.7529 39.1051 91.9488 -0.00247779 0.0110054 -0.012975 72
21688 246 H 39.8341 40.3127 93.0484 -0.00602451 0.000401944 -0.00799666 72
21689 247 H 38.8436 38.8453 92.8899 0.00195273 -0.0109002 -0.00589862 72
21690 248 H 40.6851 37.7013 94.1926 0.00407651 0.000380611 -0.00235216 72
21691 249 H 41.4202 39.255 94.5693 -0.00158037 -0.00585282 0.0137849 72
21692 250 H 39.4815 40.0013 95.9706 -0.00784919 0.000517742 0.00301686 72
21693 251 H 38.4921 38.8039 95.2994 0.00548135 -0.000873763 0.00158521 72
21694 252 H 39.7545 38.2787 96.4104 0.00832824 0.00371931 0.00071533 72
21695 253 H 48.3363 41.4384 82.5263 -0.0097774 -0.00292811 0.00040534 72
21696 254 H 48.5267 42.7494 81.3156 0.00493539 -0.00861931 -0.00521052 72
21697 255 H 48.3014 44.0995 83.0768 0.00643104 -0.00398888 -0.00997904 72
21698 256 H 46.6516 43.9391 82.5782 -0.00700421 -0.0135769 -0.00414637 72
21699 257 H 46.0537 43.3076 84.6148 0.000864546 0.0110338 -0.00964839 72
21700 258 H 46.9491 41.8501 84.5879 0.00838186 0.00124261 -0.00605518 72
21701 259 H 48.7969 42.5228 85.7512 -0.00470311 -0.000776333 -0.00522844 72
21702 260 H 48.5681 44.2373 85.3352 0.000794335 0.00697662 0.0164588 72
21703 261 H 46.9454 44.5585 87.059 -0.00148193 -0.00828015 -0.00229449 72
21704 262 H 46.7159 42.8059 87.2982 -0.00237685 -0.00578761 -0.0104798 72
21705 263 H 49.0132 42.6431 88.1907 0.0147172 0.00768671 -0.000361765 72
21706 264 H 49.3234 44.3338 87.7839 0.00637323 0.00748909 0.01714 72
21707 265 H 48.7938 44.8925 89.8555 -0.00822693 0.00850819 -0.000426538 72
21708 266 H 47.1175 44.5279 89.5219 0.00809613 0.00935728 -0.0124841 72
21709 267 H 47.4532 42.219 90.4568 0.00339554 0.00455412 -0.00729252 72
21710 268 H 49.1914 42.4119 90.5032 -0.00924441 -0.00691204 0.00796372 72
21711 269 H 49.0879 44.212 92.1494 0.000321014 -0.00579608 -0.00351769 72
21712 270 H 47.3055 44.1744 92.0889 -0.00504922 -0.00495291 0.000907554 72
21713 271 H 47.6224 41.7466 92.9891 0.00115502 0.00286439 -0.00304065 72
21714 272 H 49.3093 42.1933 93.1896 -8.4949e-05 -0.00407337 0.0023202 72
21715 273 H 46.9865 43.6477 94.5422 -0.00570307 -0.00640862 -0.000410997 72
21716 274 H 47.8083 42.2825 95.2837 0.00582999 -0.0018775 -0.0016184 72
21717 275 H 50.0555 43.7214 95.2142 -0.00173824 0.00152406 -0.0134341 72
21718 276 H 49.0982 45.0291 94.5738 -0.0107782 0.00230191 0.000677456 72
21719 277 H 48.7518 44.4198 96.174 -0.00109106 0.00194836 -0.00172368 72
21720 278 H 45.9468 36.7562 83.8128 0.00321752 0.0142322 -0.00461138 72
21721 279 H 45.7777 35.5252 82.5398 -0.0111961 0.00695229 0.00310845 72
21722 280 H 48.6593 35.9367 83.4082 -0.00443199 0.00408058 -0.0158572 72
21723 281 H 47.7237 34.5135 83.1581 0.00915536 0.00576229 -0.0093031 72
21724 282 H 46.4867 34.8289 85.3095 0.0108338 -0.0109975 0.00157247 72
21725 283 H 47.336 36.3211 85.6422 0.010516 0.00125425 -0.00369322 72
21726 284 H 49.4105 35.2172 86.0097 -0.000171317 -0.000461131 -0.00117864 72
21727 285 H 48.8669 33.8275 85.0608 0.0146924 0.00959341 0.00253904 72
21728 286 H 48.7891 32.9351 87.3061 -0.00118893 -0.00466153 -0.00331645 72
21729 287 H 47.1579 33.5017 87.0532 -0.00535275 0.000545781 -0.000960839 72
21730 288 H 47.562 35.4646 88.4317 -0.00158198 -0.00664063 -0.0169308 72
21731 289 H 49.2962 35.2388 88.2632 0.00207014 0.00141776 -0.00356263 72
21732 290 H 49.3139 33.2269 89.6613 -0.00945218 -0.00433371 -0.000613601 72
21733 291 H 47.5547 33.208 89.6703 0.00374876 -0.0133698 0.00508661 72
21734 292 H 47.4564 35.2485 90.9776 0.0039224 0.00147727 -0.00781417 72
21735 293 H 49.1615 35.5998 90.6739 0.00145168 0.00176911 0.00343278 72
21736 294 H 49.9223 33.6935 92.0363 -0.00670301 -0.0130909 0.0108055 72
21737 295 H 48.1816 33.2153 92.315 -0.00811737 0.00843509 0.00239092 72
21738 296 H 47.8061 35.2166 93.5822 0.00252172 0.00118668 0.00249419 72
21739 297 H 49.4785 35.7979 93.3145 -0.0126302 0.00847279 -0.0044991 72
21740 298 H 50.3711 33.8096 94.6112 0.00066686 0.00328738 -0.0146543 72
21741 299 H 48.8446 33.1549 94.8123 -0.00469454 -0.000205119 -0.00400494 72
21742 300 H 48.0652 35.343 96.0436 0.00167911 0.00929471 -0.00113219 72
21743 301 H 49.7889 35.8435 96.0514 -0.0040881 0.000649882 0.0117526 72
21744 302 H 49.3068 34.3799 96.898 0.0162899 0.00293587 -0.00473113 72
ITEM: TIMESTEP
102000
ITEM: NUMBER OF ATOMS
21744
ITEM: BOX BOUNDS pp pp pp
0.0000000000000000e+00 4.7073061717199998e+01
0.0000000000000000e+00 4.0766467281007898e+01
0.0000000000000000e+00 9.6958885940000002e+01
ITEM: ATOMS id type element xu yu zu vx vy vz mol
1 1 C 1.7424 6.71019 31.6649 -0.000329345 0.000197383 0.00236204 1
2 2 C 1.82337 6.64743 30.2622 -0.00156841 -0.00280178 -3.94031e-07 1
3 3 C 1.39468 5.50477 29.6388 0.00337809 0.000199104 -0.00312934 1
4 4 C 0.823171 4.47203 30.3834 0.000967066 -0.00216675 0.00355455 1
5 5 C 0.679014 4.54554 31.7895 0.00174918 -0.00380292 0.000556599 1
6 6 C 1.18846 5.70674 32.4563 -0.000391998 0.00326135 -0.000968874 1
7 7 C -3.75937 3.15153 31.2052 -0.00115999 0.00110176 0.0012419 1
8 8 C -3.5618 3.03356 29.8157 0.0022118 -0.00167267 -5.36458e-05 1
9 9 C -2.25729 3.02328 29.2867 0.00029074 9.6346e-05 -0.00323805 1
10 10 C -1.18 3.18019 30.1819 -0.00297602 0.000147134 0.000474851 1
11 11 C -1.37122 3.22647 31.5985 0.00150081 -0.00364701 0.00114772 1
12 12 C -2.6736 3.29282 32.1187 0.00280224 -0.00252303 -0.00375127 1
13 13 C 1.84183 -0.105063 32.0152 0.00188756 0.00262237 -0.00169525 1
14 14 C 2.0898 -0.091692 30.6515 0.00349578 0.00285455 0.00173652 1
15 15 C 1.62368 0.967231 29.877 -0.00187494 -0.000167823 0.00354549 1
16 16 C 0.92892 2.02173 30.5037 -0.00171841 -0.00098353 -0.0022117 1
17 17 C 0.281101 3.18678 29.7358 -0.00227556 -0.00021982 -0.00213757 1
18 18 O 1.01923 0.798465 34.1067 0.00324226 -0.00132395 0.00122938 1
19 19 O -2.928 3.50863 33.4731 0.00462726 0.00200492 0.000348508 1
20 20 O 1.04102 5.92883 33.8258 -0.00515512 0.00161396 0.00194229 1
21 21 C 1.16513 0.926246 32.7037 -0.000330588 0.00099964 -0.000730869 1
22 22 C 0.582006 3.12407 28.2957 -0.0023066 0.00141425 -0.00495808 1
23 23 C 1.03819 3.15742 27.1704 -0.00298715 -0.000508827 -0.00578685 1
24 24 C 1.79513 3.26697 25.9742 0.00107121 -0.00190245 0.000611366 1
25 25 C 1.29697 4.05283 24.9225 -0.00124692 0.000790182 0.00111731 1
26 26 C 2.01633 4.15836 23.7137 0.00281645 0.000138259 0.00339705 1
27 27 C 3.26599 3.54732 23.6136 0.000761975 -0.00213525 0.00549353 1
28 28 C 3.81182 2.80447 24.7168 -0.00151374 0.00361711 0.00318616 1
29 29 C 3.06889 2.67914 25.9108 0.00269728 -6.6233e-05 -0.00390513 1
30 30 C 4.00446 3.66533 22.3896 -0.00151242 0.00239663 0.00144074 1
31 31 C 4.5865 3.65793 21.3295 -0.00204806 -0.00100318 -0.00344864 1
32 32 C 3.33017 0.130001 19.1471 -0.00110414 0.0044743 0.00537356 1
33 33 C 3.51714 0.115216 17.7518 -0.00153542 -0.00486853 -0.00311909 1
34 34 C 4.12187 1.18637 17.1131 -0.00622208 -0.00230052 -0.000560482 1
35 35 C 4.6237 2.26623 17.8493 -0.00200274 0.000387383 -0.00121045 1
36 36 C 4.43922 2.30954 19.2405 0.0023174 -0.00169081 0.00420761 1
37 37 C 3.83291 1.19933 19.9007 0.00516547 0.0029491 0.00227581 1
38 38 C 4.97986 3.57221 19.9384 0.00300858 0.000742509 -0.00283004 1
39 39 C 8.82602 3.72564 19.8378 -0.00321491 -0.00152517 0.000809362 1
40 40 C 9.07425 3.70597 18.4559 0.00283631 0.00288114 0.00133617 1
41 41 C 7.96946 3.68163 17.5986 0.000821489 -0.0007017 -0.000552638 1
42 42 C 6.68487 3.58525 18.1493 -0.00454182 -0.00197598 -0.00185514 1
43 43 C 6.44062 3.55575 19.5581 0.00191593 -0.00146639 -0.00175536 1
44 44 C 7.55767 3.63366 20.4332 -0.00328746 -0.00276861 -0.00311993 1
45 45 C 3.29401 6.87266 18.7744 0.000462646 -0.000919454 -0.00453113 1
46 46 C 3.47048 6.76438 17.4054 0.00259051 -0.00469243 0.000793999 1
47 47 C 4.16756 5.66277 16.857 0.000807334 -5.09264e-05 -0.00432192 1
48 48 C 4.64359 4.69092 17.7598 0.00195152 0.00520831 0.000701622 1
49 49 C 5.4058 3.47451 17.3285 -0.000463774 0.000921265 0.00377506 1
50 50 C 4.45404 4.7872 19.1388 0.00289796 0.000902262 0.00029059 1
51 51 C 3.82502 5.90899 19.6625 -0.00266699 -0.00303835 -0.00106801 1
52 52 O 8.03107 3.6033 16.235 0.00127071 0.000442275 0.000377008 1
53 53 O 4.134 1.28732 15.7293 -4.43948e-05 -0.000279161 -0.000517214 1
54 54 O 4.37287 5.54804 15.464 0.00386577 0.000259932 -0.00136598 1
55 55 C -0.0779628 3.32748 32.4035 0.0032369 -0.0011233 -0.00230966 1
56 56 C 0.728202 2.06884 31.9376 0.000887729 0.00226015 -0.000923102 1
57 57 C 9.20776 3.78422 15.4432 0.000185555 -0.00317742 0.00210455 1
58 58 C 9.03633 2.92157 14.1579 -0.00112566 0.00172963 -0.00335833 1
59 59 C 8.12069 3.63432 13.1357 -0.00596085 0.0015561 0.000162672 1
60 60 C 8.02675 2.80212 11.8768 0.00568935 -0.0011174 0.00142986 1
61 61 C 7.24805 3.42139 10.6678 0.0029292 0.0064889 0.00465435 1
62 62 C 7.06727 2.47414 9.51791 -0.00285181 0.00519752 0.000991965 1
63 63 C 6.95193 3.24604 8.18509 0.0017414 0.00399903 -0.00192202 1
64 64 C 6.63203 2.36367 6.94961 0.00255674 0.00205434 -0.00187275 1
65 65 C 7.03454 3.07132 5.67566 0.00398574 0.00245571 0.00174508 1
66 66 C 6.79932 2.20626 4.4002 -0.00426241 -0.00338924 0.000228086 1
67 67 C 7.10542 3.03204 3.1373 0.0002796 0.00396149 0.000664082 1
68 68 C 6.86537 2.23691 1.86955 -0.00241982 0.000501821 -0.00174756 1
69 69 F 1.59952 4.99211 22.7226 0.000785435 -0.000437797 -0.00169955 1
70 70 C 5.31334 1.19549 14.953 0.00264675 -0.00186814 0.000368096 1
71 71 C 5.52714 -0.306321 14.5568 0.00103746 -0.00234041 -0.00498954 1
72 72 C 6.23352 -0.294616 13.1332 0.00152712 0.00111634 -0.00457777 1
73 73 C 6.41484 -1.74152 12.511 0.00539372 -0.00560531 0.00162832 1
74 74 C 5.76607 -1.94594 11.1435 -0.00130489 -0.00527376 -0.00417255 1
75 75 C 6.62484 -1.47334 9.93504 -0.00358077 -0.000948883 -0.00338955 1
76 76 C 6.12425 -2.15505 8.62165 -0.00440865 -0.00460933 0.004339 1
77 77 C 6.70728 -1.56455 7.30263 -0.00102344 0.00400311 0.00370422 1
78 78 C 6.76996 -2.65173 6.18372 -0.00118831 0.0036119 -0.00258981 1
79 79 C 7.25555 -2.08891 4.81387 -0.00040827 0.000611546 0.00243056 1
80 80 C 6.16929 -1.41676 3.95238 -0.00104247 -0.00115976 0.00100888 1
81 81 C 6.64091 -1.36538 2.47613 -0.00125095 0.00190256 0.00134723 1
82 82 C 3.23813 5.75566 14.5835 0.000702857 -0.000482572 -0.0014305 1
83 83 C 2.97979 4.4633 13.7538 0.00104206 0.00225022 0.00204544 1
84 84 C 3.82144 4.37893 12.4259 0.00301141 -0.00253789 -0.000119431 1
85 85 C 3.14716 5.03176 11.199 -0.00309621 -0.000673231 -0.000295285 1
86 86 C 3.95448 4.78356 9.87236 0.00527174 0.00293487 -0.000770892 1
87 87 C 3.19964 5.33652 8.6229 0.00377753 -0.00116885 0.0029303 1
88 88 C 3.78212 4.88708 7.28368 0.00392317 0.0030552 0.00328303 1
89 89 C 3.05157 5.54272 6.08319 -0.00634037 0.00388286 -0.00141464 1
90 90 C 3.44884 4.87223 4.74173 0.000721136 -0.000910567 0.00150797 1
91 91 C 2.90926 5.62109 3.49647 0.00363621 -0.00258233 -0.00221224 1
92 92 C 3.14972 4.82583 2.19202 0.00370747 -0.00203535 0.00373829 1
93 93 C 3.05903 5.69215 0.942265 -0.00395833 0.00291029 0.00234576 1
94 94 C -4.10692 4.19445 33.9685 -0.000258915 -0.0010542 -0.000936258 1
95 95 C -5.19094 3.16833 34.3657 0.00108365 0.00247559 0.00165211 1
96 96 C -6.12756 3.51444 35.5497 0.00186719 0.00174835 -0.000516348 1
97 97 C -5.36487 3.60986 36.9108 0.000967545 -0.00134462 0.000935138 1
98 98 C -6.27855 3.76827 38.1575 -0.00189721 0.00139252 0.00130284 1
99 99 C -5.45966 3.52516 39.432 -0.00385538 0.00109074 -0.00124529 1
100 100 C -6.17307 3.86538 40.7273 0.0016913 0.00106886 0.00213619 1
101 101 C -5.60478 3.19241 42.0088 0.0032005 0.00318446 0.00484981 1
102 102 C -6.23156 3.77443 43.2943 0.000604812 -0.00374593 -0.00065025 1
103 103 C -5.52104 3.2077 44.5466 -0.00215237 -0.00142769 0.00291943 1
104 104 C -6.07967 3.88328 45.8381 0.00393151 -0.00204423 0.0013544 1
105 105 C -7.47109 3.3549 46.2356 0.001404 0.00242483 0.000122699 1
106 106 C 1.98612 6.69666 34.6125 0.000590265 0.000267276 0.00398182 1
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1026 120 C 14.2826 5.59069 36.6364 0.00417712 -0.000153597 -7.53426e-05 4
1027 121 C 13.8946 5.14558 38.0499 0.00161379 0.00244555 0.000228346 4
1028 122 C 13.9341 6.18784 39.1383 -0.00108854 0.000647154 0.00397367 4
1029 123 C 13.9428 5.36832 40.4836 0.00631832 -0.00160759 0.00168198 4
1030 124 C 13.9276 6.18376 41.7727 -0.00243415 0.000458541 -0.00453239 4
1031 125 C 14.0323 5.33411 43.0519 0.0055334 0.00198183 0.00160843 4
1032 126 C 13.8959 6.17444 44.3497 -0.00343178 0.000850763 0.00430777 4
1033 127 C 13.9795 5.24838 45.5554 -0.00653099 0.00102159 0.00603178 4
1034 128 C 13.8857 5.90989 46.9355 0.000289767 -0.000581501 0.000771462 4
1035 129 C 12.4609 6.40617 47.2742 0.00153403 -0.00212824 4.43447e-05 4
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1093 187 H 13.5839 6.80985 9.62638 0.000833075 0.00642321 0.00239077 4
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1098 192 H 13.9811 9.13711 5.90406 0.00462208 0.00265857 0.00367385 4
1099 193 H 15.7099 9.27731 6.15715 0.0104238 -0.0110605 0.0175913 4
1100 194 H 16.1305 7.3389 4.66099 0.000123176 -0.00532632 -0.0113857 4
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1103 197 H 15.9729 9.48702 3.4956 0.00191423 -0.00385823 0.0174408 4
1104 198 H 16.0592 7.31919 2.19204 0.00233853 -0.00348417 -0.0135863 4
1105 199 H 14.3532 7.24662 2.10484 0.00309122 0.000431656 -0.0126629 4
1106 200 H 14.2338 9.34594 0.762473 -0.000648545 -0.00655262 0.000558721 4
1107 201 H 16.0086 9.47756 0.791449 -0.00470846 0.0100301 0.00387972 4
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1113 207 H 18.8653 14.9974 12.8755 -0.0111902 -0.000268591 0.00297534 4
1114 208 H 19.485 13.3843 12.5365 0.000751547 0.00194346 0.009625 4
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1116 210 H 17.7616 15.1152 10.6773 -0.0152574 -0.0123885 0.00157359 4
1117 211 H 20.3114 15.2504 10.945 -0.00688023 -0.0068453 0.0072663 4
1118 212 H 20.3815 13.6841 10.1092 -0.000435902 0.000756316 0.00696743 4
1119 213 H 18.8389 16.0342 9.07863 0.00304831 0.00125537 0.0120519 4
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1122 216 H 18.5079 14.0377 7.78577 6.86069e-05 0.00791733 0.0155196 4
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1127 221 H 18.1887 16.0322 3.88299 0.00996229 0.0129493 0.0132453 4
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1139 233 H 5.40875 9.17876 35.2481 -0.00391268 0.00348161 0.00458017 4
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1147 241 H 6.55586 8.8409 40.4511 0.00301266 0.00522412 0.00302789 4
1148 242 H 7.11292 10.8722 41.6983 -0.00316417 0.0124746 0.0035338 4
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1155 249 H 6.34911 8.76262 45.5664 0.00536497 0.00333607 0.00198785 4
1156 250 H 7.29083 10.8694 46.8874 -0.000306087 0.00563252 0.0257178 4
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1163 257 H 15.0248 15.3527 35.2746 -0.000402978 0.00865799 9.62331e-05 4
1164 258 H 13.5216 16.0274 35.5645 -0.000732535 -0.00587247 -0.0135321 4
1165 259 H 14.7723 13.9314 37.4201 0.00819201 0.00823797 0.00621012 4
1166 260 H 15.0357 15.7525 37.5515 0.00884007 -0.00277685 0.00666288 4
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1169 263 H 12.5245 14.3896 40.2332 -0.00104413 0.00509315 0.00684489 4
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1171 265 H 15.4839 15.0107 39.848 0.00276516 0.00457051 0.00446686 4
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1174 268 H 15.8328 14.2681 41.9285 -0.00387708 0.00244531 0.00660344 4
1175 269 H 14.1371 15.8352 42.9894 0.00207722 0.00447351 -0.00671275 4
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1193 287 H 14.8654 6.76418 39.076 0.00323901 -0.00684902 -0.000676892 4
1194 288 H 14.8051 4.69133 40.5228 0.00555218 -0.00195113 0.0126044 4
1195 289 H 13.0781 4.6934 40.4698 -0.00743076 0.0159454 0.00501664 4
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1198 292 H 14.9904 4.80413 43.12 0.00413124 0.000366205 0.00899652 4
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1202 296 H 14.9337 4.71359 45.4727 -0.00302684 0.00918131 -0.00645262 4
1203 297 H 13.1861 4.49119 45.5315 0.000575152 -0.00660459 0.0114829 4
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1210 2 C 17.808 6.44068 29.9029 -0.000292359 0.00443873 -0.00216063 5
1211 3 C 17.3939 5.25319 29.284 -0.0013394 0.000146693 0.00364093 5
1212 4 C 16.7343 4.27175 30.0344 -0.0048692 -0.00385868 0.00134392 5
1213 5 C 16.5075 4.44524 31.438 0.000635148 -0.00317872 0.00379737 5
1214 6 C 17.0249 5.60512 32.0703 -0.00210512 -0.000512939 0.00236222 5
1215 7 C 11.9905 3.22528 30.7358 0.000857511 -0.00167647 -0.00120607 5
1216 8 C 12.1987 3.18497 29.3371 0.00238785 -0.000743758 -0.00107117 5
1217 9 C 13.4859 3.0886 28.8618 0.001234 -0.00205548 -0.00202252 5
1218 10 C 14.5742 3.13187 29.7667 0.00345872 -0.00264948 -0.000466658 5
1219 11 C 14.3689 3.23041 31.1763 -0.0027572 0.00217014 0.00628881 5
1220 12 C 13.0607 3.30485 31.6831 0.000123232 -0.000959998 0.00177292 5
1221 13 C 17.5591 -0.132039 31.8001 0.00440601 0.00653912 -0.00229156 5
1222 14 C 17.7498 -0.241087 30.4392 0.00033809 -0.0038803 0.00475999 5
1223 15 C 17.3069 0.806746 29.6392 0.00014958 -0.00377729 -0.0011329 5
1224 16 C 16.6064 1.86393 30.1855 0.00203787 0.00693998 0.00331007 5
1225 17 C 16.0782 3.0677 29.3802 -0.000772397 6.03292e-05 -0.0062822 5
1226 18 O 16.7162 0.956892 33.7813 -0.000752868 -0.00411972 -0.00376261 5
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1228 20 O 16.918 5.85495 33.4543 -0.00567105 -0.00173719 -0.000694185 5
1229 21 C 16.8872 0.959978 32.4061 0.0015928 -0.00264178 0.000239964 5
1230 22 C 16.3431 2.94807 27.9383 -0.00443424 -0.00203735 -0.0040979 5
1231 23 C 16.8152 2.86799 26.8493 -0.00222564 0.00143565 0.000635451 5
1232 24 C 17.5279 2.94369 25.6312 -0.00470018 0.00320144 0.00218148 5
1233 25 C 18.5696 2.0084 25.3596 0.00201113 0.00269527 -0.00144078 5
1234 26 C 19.4489 2.2526 24.3059 -0.00187804 0.00122428 0.00158597 5
1235 27 C 19.1833 3.34299 23.4657 0.00228532 0.00250435 0.00403408 5
1236 28 C 18.1806 4.24415 23.7484 -0.00547446 -0.00481177 0.00167102 5
1237 29 C 17.3332 4.0765 24.8282 0.00356471 0.00191202 0.00356351 5
1238 30 C 19.9768 3.60871 22.287 -0.000856185 -0.00131677 5.77271e-05 5
1239 31 C 20.416 3.68214 21.1812 0.00421954 0.00236079 -0.000562469 5
1240 32 C 18.9571 0.352904 19.0066 -0.00385647 -6.18013e-05 -0.00489637 5
1241 33 C 19.1368 0.31522 17.5981 -0.00799207 0.00123097 3.12176e-05 5
1242 34 C 19.8321 1.34857 16.9559 -0.00172929 -0.00166539 -0.00151687 5
1243 35 C 20.3299 2.39374 17.7232 0.0018586 0.00362816 0.00552438 5
1244 36 C 20.141 2.4319 19.1236 0.00232218 0.00131577 6.51496e-05 5
1245 37 C 19.487 1.38239 19.7632 -0.00200612 0.00023433 -0.00190887 5
1246 38 C 20.7294 3.68097 19.7526 -0.00544156 -0.00113822 -0.00281517 5
1247 39 C 24.6543 3.47295 19.5081 -0.00136572 0.00273225 -0.00230168 5
1248 40 C 24.7923 3.63219 18.1308 -0.00377178 -1.50771e-07 -0.00200792 5
1249 41 C 23.6281 3.78333 17.3242 -0.000409509 -0.000838419 -0.00292698 5
1250 42 C 22.3672 3.72277 17.936 -0.00477871 -0.00559172 -0.0012371 5
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1252 44 C 23.3867 3.54265 20.1208 0.000809445 -1.89001e-05 0.00199108 5
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1524 14 C 21.6414 6.53605 30.4551 -0.00130943 0.00334056 6.30436e-06 6
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1703 193 H 21.3441 7.66573 6.57965 0.00217171 -0.0241733 0.00352202 6
1704 194 H 22.7473 9.53654 5.56013 0.0135136 0.00385317 0.00308264 6
1705 195 H 24.158 8.45821 5.63103 -0.00168836 -0.00808438 0.00206781 6
1706 196 H 23.122 6.81695 4.14857 -0.0131163 -0.00440024 0.000638029 6
1707 197 H 21.5889 7.75574 4.18006 0.00160402 0.0044271 -0.0032988 6
1708 198 H 22.7267 9.63982 3.08819 0.00367106 0.00203439 -0.00902752 6
1709 199 H 24.2664 8.73315 3.03237 0.00284369 -0.00482177 -0.0118435 6
1710 200 H 23.5028 7.17491 1.57101 0.00551303 0.00198358 0.00362077 6
1711 201 H 21.7944 7.53959 1.7527 0.0102544 -0.00832456 0.0274461 6
1712 202 H 22.7821 8.70214 0.873813 0.00869121 -0.00516578 -0.00654448 6
1713 203 H 25.6462 14.3346 16.6622 -0.00443052 -0.0184962 0.0179636 6
1714 204 H 26.1771 12.8707 15.7636 -0.0107453 -0.0078115 0.0122728 6
1715 205 H 24.2732 14.8676 14.6183 -0.00184572 -0.00676545 -0.00449947 6
1716 206 H 25.9551 15.3868 14.7697 -0.00564454 0.00162226 0.00041921 6
1717 207 H 26.8277 13.824 13.2314 -0.00224268 -0.0156234 0.0104832 6
1718 208 H 25.3377 12.875 13.1994 -0.0259296 0.00731637 0.00813137 6
1719 209 H 24.3156 14.5771 11.7094 0.000199955 -0.0165933 0.00171581 6
1720 210 H 25.5318 15.7936 12.1541 -0.00453028 -0.00294484 0.0114571 6
1721 211 H 27.297 14.5964 11.0638 0.00227347 -0.00716698 0.0114549 6
1722 212 H 26.1979 13.2496 10.576 0.0080952 0.00362267 -0.00187373 6
1723 213 H 25.0209 14.9962 9.18748 -0.00276969 0.010434 0.00733521 6
1724 214 H 26.3363 16.1502 9.61712 -0.00251987 0.00701847 -0.0152535 6
1725 215 H 28.0177 14.7991 8.47747 -0.00116021 0.00725503 0.00743349 6
1726 216 H 26.769 13.5814 8.06307 -0.0011199 -0.00299957 0.00792196 6
1727 217 H 25.4115 14.9718 6.80703 0.00174067 -0.011595 -0.00106761 6
1728 218 H 26.4804 16.3945 7.02726 -0.00514154 0.00406942 -0.00298507 6
1729 219 H 28.2384 15.1777 5.89858 -8.1393e-05 -0.00667747 -0.00118933 6
1730 220 H 27.2277 13.7162 5.75531 -0.00436061 0.00136576 0.00834788 6
1731 221 H 25.5536 14.8608 4.40465 0.000457864 0.00207331 0.00151669 6
1732 222 H 26.4872 16.3312 4.39168 0.00643524 0.000700516 -0.00887655 6
1733 223 H 28.2989 15.2632 3.00163 -0.00465961 0.00457979 0.00732922 6
1734 224 H 27.656 13.6815 3.43254 -0.0110805 -0.00289726 0.000293653 6
1735 225 H 27.2819 14.2853 1.09474 0.00672862 -0.0130371 0.00899604 6
1736 226 H 25.7587 13.9788 1.96136 -0.000113363 -0.000914682 0.00626487 6
1737 227 H 26.3639 15.6916 1.59614 0.00222174 0.00156426 0.0114198 6
1738 228 H 15.1058 11.6327 33.5208 0.00463169 -0.0035395 -0.000316348 6
1739 229 H 14.5378 9.98172 33.1598 -0.0086865 0.0179464 -0.00975505 6
1740 230 H 15.3917 9.0782 35.1188 0.000505662 0.000462979 -0.0114871 6
1741 231 H 15.8973 10.7339 35.6937 -0.000506281 -0.0013552 0.0127011 6
1742 232 H 13.1241 11.053 35.0746 -0.000718802 0.00931213 0.0052541 6
1743 233 H 13.2172 9.3754 35.609 0.00549665 -0.00177723 0.00196602 6
1744 234 H 14.3686 11.687 37.236 -0.000863695 0.00161017 -0.000835931 6
1745 235 H 12.6735 11.3068 37.3045 0.00735355 0.00476294 0.00267072 6
1746 236 H 13.1806 9.06146 38.227 -0.00544226 0.00755446 -0.005658 6
1747 237 H 14.9445 9.32747 38.1318 -0.0054716 -0.00287146 -0.00276777 6
1748 238 H 14.7401 11.2449 39.7817 0.00958373 -0.00767964 -0.00602164 6
1749 239 H 12.9807 11.0872 39.6199 0.00557526 0.00473697 0.00322534 6
1750 240 H 12.8978 9.06477 40.7671 -0.00172717 0.00853203 -0.0126274 6
1751 241 H 14.6954 8.92088 40.8089 0.00617416 0.00754208 -0.00182003 6
1752 242 H 14.9968 10.8209 42.1585 -0.00110243 -0.00605894 0.0106682 6
1753 243 H 13.3377 11.352 42.1039 0.0015963 0.000967956 0.0023992 6
1754 244 H 12.588 9.37687 43.3801 0.0044347 -0.000168557 0.00102695 6
1755 245 H 14.2367 8.74051 43.238 -0.00679924 0.00094334 -0.00699603 6
1756 246 H 15.0741 10.6311 44.5816 -0.00154079 0.0036288 0.00996024 6
1757 247 H 13.4564 11.3634 44.676 0.0038112 -0.000634045 -0.0160439 6
1758 248 H 12.6451 9.73926 46.1586 -0.0018795 0.00958922 -0.0145157 6
1759 249 H 13.8204 8.52217 45.6807 0.00556555 -0.00476482 0.00571048 6
1760 250 H 14.4418 9.19177 47.9347 0.00174817 0.00170087 -0.000444457 6
1761 251 H 15.6661 9.76001 46.7766 -0.000190732 0.00737343 0.00249494 6
1762 252 H 14.5553 10.902 47.4656 -0.0096395 -0.00574899 0.00345362 6
1763 253 H 22.4489 13.3103 34.2603 0.00178332 0.000358844 -0.00663455 6
1764 254 H 21.246 14.5678 33.8955 0.0100409 0.00344482 0.010459 6
1765 255 H 19.9281 14.1383 35.6176 -0.000786973 -0.0091236 0.0102443 6
1766 256 H 20.504 12.5343 35.9959 0.00692936 0.000420391 0.0137983 6
1767 257 H 22.7854 13.6727 36.5933 -0.00229822 -0.00870395 -0.0148388 6
1768 258 H 21.8425 15.1827 36.6146 -0.0079119 0.00335058 0.0111829 6
1769 259 H 20.4023 13.8211 38.4294 0.00889798 0.0232259 0.00909857 6
1770 260 H 21.6312 12.6008 38.2764 0.000451951 -0.000392435 -0.0002447 6
1771 261 H 23.2388 14.8464 38.6492 0.00753063 -0.0182935 0.00169088 6
1772 262 H 21.7759 15.3776 39.4486 0.00521948 0.00125483 0.00605209 6
1773 263 H 23.0154 12.6704 40.0186 -0.00393047 -0.0067045 0.00150517 6
1774 264 H 23.6458 14.1182 40.8532 -0.00255308 -0.00502016 -0.00251472 6
1775 265 H 20.7026 13.9291 41.0604 0.00439262 0.0108862 0.00752173 6
1776 266 H 21.5088 12.5439 41.8175 0.000829336 -0.00091447 0.000137497 6
1777 267 H 23.0474 14.0312 42.9996 -0.00193138 -0.00736069 -0.00101777 6
1778 268 H 22.0683 15.455 42.5037 -0.00374242 0.00141664 -0.00754316 6
1779 269 H 20.1475 14.3729 43.7294 -0.00502628 -0.00331964 0.00753237 6
1780 270 H 21.1463 12.9252 43.9586 0.0151446 -0.00121223 -0.00886983 6
1781 271 H 22.6332 14.2261 45.4277 -0.00398188 -0.0066074 -0.0159628 6
1782 272 H 21.83 15.7143 45.0393 -0.0112637 0.00408651 -0.0121997 6
1783 273 H 19.6268 14.7262 46.0451 0.00216423 -0.00236288 -0.00582955 6
1784 274 H 20.6555 13.379 46.5967 -0.0037047 -0.00538089 -0.0134251 6
1785 275 H 22.0916 15.1703 47.8121 -3.97191e-05 -0.010085 -0.0123287 6
1786 276 H 20.8027 16.3703 47.4583 0.00713484 -0.00293959 -0.000671461 6
1787 277 H 20.4865 14.9634 48.4759 -0.0088126 -0.00180823 -0.00490819 6
1788 278 H 20.0676 6.59252 35.5733 -0.00723593 -0.0174894 -0.00152975 6
1789 279 H 20.1107 5.7376 34.0761 -0.000887756 -0.000721447 0.00318766 6
1790 280 H 22.7626 6.6697 34.7803 -0.00632301 0.00717609 -0.0104051 6
1791 281 H 22.2925 5.08054 34.2677 0.00115138 0.0014905 0.00167254 6
1792 282 H 23.1033 4.72959 36.4895 -0.00353712 -0.0161415 -0.00182359 6
1793 283 H 21.3563 4.71969 36.726 -0.00514415 0.00786794 0.00312435 6
1794 284 H 21.3896 7.03478 37.4466 0.0112464 0.0271032 -0.00334516 6
1795 285 H 23.1422 7.09854 37.2203 0.00270228 -0.0142664 -0.0108428 6
1796 286 H 22.927 6.72793 39.536 -0.0164774 -0.00338718 0.0127603 6
1797 287 H 23.3586 5.15934 38.8481 0.00128886 0.000255748 0.0122565 6
1798 288 H 21.3085 4.25511 39.4131 0.00816909 -0.00113837 -0.00876378 6
1799 289 H 20.4474 5.69724 38.9567 -0.00828362 -0.000859528 0.00942727 6
1800 290 H 20.0551 5.50227 41.3866 -0.000170947 -0.00447225 -0.0162293 6
1801 291 H 21.2027 6.82286 41.1269 -0.0283963 0.00222217 -0.00176487 6
1802 292 H 23.0691 5.21116 41.7943 0.000920755 0.00623466 0.00558117 6
1803 293 H 21.8888 3.99022 41.9708 0.00557087 -0.000367908 -0.0141928 6
1804 294 H 20.5336 5.56784 43.5164 -0.00138256 -0.00435764 -0.00369939 6
1805 295 H 21.9612 6.64604 43.5312 -0.0125416 -0.000685269 0.0252068 6
1806 296 H 23.3638 4.88019 44.4682 0.00031517 0.0113397 -0.00580187 6
1807 297 H 22.0214 3.70625 44.3227 0.00756591 0.00282081 -0.00641677 6
1808 298 H 20.7534 4.85197 46.0609 0.00106158 -0.0014241 -0.00592306 6
1809 299 H 21.7369 6.27923 45.9941 -0.00346129 -0.00151476 -0.0100079 6
1810 300 H 22.6287 3.51574 46.9805 -0.0144549 0.00121077 -0.011479 6
1811 301 H 22.3213 4.88301 48.0313 0.0113962 0.00831256 0.00604593 6
1812 302 H 23.7256 4.92885 46.9366 -0.00644502 0.00540547 0.000924509 6
1813 1 C 25.4978 6.54831 30.921 -0.00168055 -0.00187841 -0.000156308 7
1814 2 C 25.5941 6.52175 29.5461 0.00121657 0.00221545 0.000226502 7
1815 3 C 25.115 5.45658 28.7951 -0.00668625 -0.00152254 -0.00108058 7
1816 4 C 24.497 4.38824 29.5271 -0.00266924 0.00296124 0.00245951 7
1817 5 C 24.3449 4.41816 30.9688 0.000705764 0.00425537 0.00323548 7
1818 6 C 24.8493 5.57422 31.6781 0.00248927 -0.00136157 0.00180562 7
1819 7 C 19.8545 3.0143 30.4737 -0.00234071 0.00042703 0.00130097 7
1820 8 C 20.0026 3.07454 29.0938 0.00126036 -0.00050285 -0.002809 7
1821 9 C 21.276 3.15236 28.5155 0.000536733 0.00165864 0.0034545 7
1822 10 C 22.3927 3.17709 29.3509 0.00289923 -0.0025422 0.00289075 7
1823 11 C 22.3003 3.11252 30.7682 -0.00520879 -0.000299762 0.00114386 7
1824 12 C 20.9803 3.10089 31.3413 0.00395024 -0.00297506 -0.00334836 7
1825 13 C 25.5214 -0.235036 30.8001 -0.00106823 -0.000593497 -0.00316812 7
1826 14 C 25.5033 -0.220148 29.3916 0.00285145 -0.00246661 -0.00140197 7
1827 15 C 24.9753 0.886417 28.75 -0.000621556 -0.00249241 -0.00322567 7
1828 16 C 24.4473 1.94047 29.4995 -0.00361634 0.000411961 -0.00457694 7
1829 17 C 23.8285 3.18012 28.8559 -0.00168884 -0.000340881 0.00029367 7
1830 18 O 24.8454 0.74592 32.9515 0.00340034 -0.00262132 0.000991724 7
1831 19 O 20.7956 3.14114 32.7401 -0.00332774 3.14412e-05 -0.00111931 7
1832 20 O 24.785 5.71148 33.0915 -0.000568709 -0.00282916 -0.00121993 7
1833 21 C 24.9307 0.796462 31.5818 0.000588001 0.00312982 -0.00210131 7
1834 22 C 24.0438 3.24777 27.3978 -0.00538349 -0.00522166 0.00253985 7
1835 23 C 24.5099 3.25257 26.2646 0.00239139 0.00432777 0.00082082 7
1836 24 C 25.4169 3.21002 25.1187 0.00493506 -0.00051891 0.00209194 7
1837 25 C 25.6459 2.03438 24.4161 -0.000491088 -0.00391351 -8.35183e-05 7
1838 26 C 26.583 2.01574 23.395 -0.00120506 0.00239407 -0.00413849 7
1839 27 C 27.3418 3.16963 23.1595 -0.00454358 -0.00228541 0.00243609 7
1840 28 C 27.1064 4.36442 23.8716 0.000394112 0.00395502 0.00294743 7
1841 29 C 26.1361 4.3722 24.8459 0.00391145 0.00119206 -0.00142468 7
1842 30 C 28.1218 3.2823 21.9744 0.000786987 -0.000233245 -0.00156097 7
1843 31 C 28.5516 3.41109 20.852 -0.000210159 0.00154363 -0.000614529 7
1844 32 C 27.2713 0.12752 18.5057 -0.000494866 0.00302513 0.00214883 7
1845 33 C 27.508 0.135048 17.1258 0.00160129 0.00178734 -0.00207394 7
1846 34 C 28.0118 1.29799 16.4892 -0.00338093 0.0035467 0.00146053 7
1847 35 C 28.354 2.39407 17.2506 -0.00413512 0.00123293 0.00234278 7
1848 36 C 28.2338 2.33989 18.6783 -0.00100986 0.00101863 0.000320685 7
1849 37 C 27.6121 1.21054 19.2748 0.000598101 0.000612622 -5.46067e-05 7
1850 38 C 28.7864 3.5683 19.4075 5.96494e-05 0.0024234 0.0015986 7
1851 39 C 32.6435 3.51789 19.0085 -2.83067e-05 -0.00204673 -0.00621799 7
1852 40 C 32.7 3.68726 17.6453 0.00125092 -2.82668e-06 -0.000860299 7
1853 41 C 31.546 3.83365 16.8488 -0.000485168 0.00341755 -0.00210465 7
1854 42 C 30.2967 3.78804 17.4689 0.00271779 -0.00675338 -0.000516119 7
1855 43 C 30.2217 3.64607 18.8781 -0.00143136 -0.00143732 0.000772051 7
1856 44 C 31.4081 3.49812 19.6456 -0.00557113 -0.00282299 0.002364 7
1857 45 C 26.6048 6.76451 18.7693 -0.000710396 7.1814e-05 0.000370319 7
1858 46 C 26.758 6.80933 17.3711 -0.000551078 0.000383476 0.00195452 7
1859 47 C 27.5047 5.85887 16.6584 -0.00108756 0.00782975 0.00165618 7
1860 48 C 28.138 4.81118 17.3361 0.000272558 0.00858395 -0.00313773 7
1861 49 C 28.9749 3.70014 16.7095 -0.00480131 4.00753e-05 -0.00146653 7
1862 50 C 28.0294 4.77427 18.776 0.00180107 -0.00117731 -0.000256328 7
1863 51 C 27.2583 5.763 19.486 0.000992441 0.00202646 0.00351742 7
1864 52 O 31.5663 4.13278 15.5089 0.000610653 0.00350995 -0.000533674 7
1865 53 O 28.3009 1.3191 15.1534 -0.00143605 0.00345943 0.00278662 7
1866 54 O 27.5813 5.97865 15.2916 0.00248116 0.00156382 0.00136759 7
1867 55 C 23.6449 3.1345 31.5137 0.00249326 0.00145989 -0.0027239 7
1868 56 C 24.3747 1.9176 30.9014 0.0028826 -0.000327563 -0.00163952 7
1869 57 C 31.8441 3.0701 14.5827 -0.00291581 0.000894093 0.000212653 7
1870 58 C 31.8777 3.63677 13.1514 -0.000562919 0.00431948 0.00258708 7
1871 59 C 30.5991 3.69785 12.3205 -0.00189446 0.00157286 -0.00228471 7
1872 60 C 30.5682 2.79376 11.0805 -0.00212069 0.000998307 -0.000272038 7
1873 61 C 30.88 3.52825 9.78338 -0.00173117 0.00299103 0.00182204 7
1874 62 C 30.4352 2.78052 8.53718 0.00471539 -0.00141609 0.00212116 7
1875 63 C 30.5594 3.63315 7.27793 -0.00309562 0.000749516 -0.00100606 7
1876 64 C 30.2267 2.87757 5.98162 0.00248216 0.000347234 0.00337449 7
1877 65 C 30.4008 3.75251 4.73836 -0.000123669 -0.000130324 0.00227516 7
1878 66 C 30.2403 2.85644 3.46681 0.00257142 0.00042661 0.00120075 7
1879 67 C 30.274 3.71843 2.17656 0.00522853 0.000249121 0.00267182 7
1880 68 C 30.6173 2.80474 1.00203 0.00279567 0.000563442 0.000467137 7
1881 69 F 26.6423 0.886087 22.6276 0.001355 0.00314487 -3.38389e-05 7
1882 70 C 28.7041 0.0897722 14.5176 0.000327042 0.00784133 0.00115025 7
1883 71 C 29.3019 0.411481 13.1186 -0.000193373 -8.48031e-06 0.000542278 7
1884 72 C 29.6862 -0.896922 12.3371 0.00355781 0.00118541 0.00101117 7
1885 73 C 29.862 -0.747329 10.8014 -0.000710713 0.00367707 -0.00176803 7
1886 74 C 30.6147 -1.89899 10.1588 0.00355134 -0.000962206 0.00230692 7
1887 75 C 31.2215 -1.50638 8.81969 5.11572e-05 0.00291792 0.00400698 7
1888 76 C 30.1925 -1.22633 7.69455 0.00075115 -0.00138357 0.00031404 7
1889 77 C 30.9568 -0.780368 6.44983 -0.00283523 0.00201556 0.000792174 7
1890 78 C 30.1615 -0.599333 5.19118 -0.000207225 -0.00216107 -0.000673802 7
1891 79 C 29.6996 -1.9421 4.55462 3.8815e-05 -0.000839262 -0.00211685 7
1892 80 C 28.8509 -1.7943 3.2585 -0.00262292 0.00407514 0.00189969 7
1893 81 C 29.6578 -1.08465 2.11483 0.00068559 0.000731587 -0.00414553 7
1894 82 C 26.8606 5.05636 14.4309 1.28041e-05 -0.00123992 -0.0057625 7
1895 83 C 27.4117 5.32117 13.0202 -0.000787722 -5.63041e-05 0.00415192 7
1896 84 C 27.0431 4.18086 12.037 -0.00169631 0.00124106 0.00155013 7
1897 85 C 27.6006 4.5449 10.609 0.00148137 -0.000742743 0.00150535 7
1898 86 C 26.5624 5.32427 9.76921 -0.00173467 0.00233167 0.00260729 7
1899 87 C 26.9977 5.44596 8.2881 -0.000455694 -0.00288343 -0.00446574 7
1900 88 C 25.8867 5.99155 7.37844 -0.00340577 0.00374647 -0.003367 7
1901 89 C 26.2662 6.27409 5.90357 -0.000197958 -0.0027444 -0.000372198 7
1902 90 C 26.7891 5.02648 5.23557 -0.00092922 -0.000583952 -0.000615209 7
1903 91 C 27.2122 5.24628 3.74224 -0.00528491 0.000722297 -0.00102583 7
1904 92 C 26.055 5.77385 2.8707 -7.05893e-05 0.00364291 0.0042247 7
1905 93 C 26.4419 5.85964 1.39631 0.00100854 -0.00334741 -0.000748052 7
1906 94 C 19.46 3.25686 33.2984 0.00156707 0.000107095 0.00295243 7
1907 95 C 19.5526 3.17082 34.8303 3.43701e-05 -0.00262028 0.000990914 7
1908 96 C 18.3261 3.61596 35.6189 -0.000723302 0.00326378 0.00431662 7
1909 97 C 18.5465 3.44512 37.164 -0.00501756 0.0027581 0.000743248 7
1910 98 C 17.443 4.03129 38.0705 -0.00542232 0.000427057 -6.15145e-05 7
1911 99 C 17.7698 4.07311 39.5841 -0.000616338 -1.18547e-06 0.00248407 7
1912 100 C 17.9139 2.68945 40.2594 -0.000926483 -0.00165273 -0.0018854 7
1913 101 C 18.6718 2.69177 41.6422 -0.000613013 0.00325392 -0.000181987 7
1914 102 C 17.8289 3.13479 42.8939 -0.00305645 -0.00388243 -0.000748493 7
1915 103 C 18.6101 2.97631 44.2147 0.00374237 -0.00127859 0.00169751 7
1916 104 C 17.7341 3.02745 45.4364 0.000596295 -0.00141141 0.00193125 7
1917 105 C 18.5098 2.85353 46.7766 -0.000760372 6.87145e-06 0.00353634 7
1918 106 C 25.5115 6.84495 33.6958 0.00181423 -0.00132464 0.00376237 7
1919 107 C 25.6651 6.90344 35.1931 0.00175536 0.00316197 -0.00116578 7
1920 108 C 26.5175 8.12471 35.5851 -0.000937775 -0.000125707 0.00109348 7
1921 109 C 26.2005 8.76563 36.9642 -0.00278587 -0.00205763 0.00155634 7
1922 110 C 26.0149 7.78961 38.1817 -0.00135408 -0.00249274 -0.00262617 7
1923 111 C 25.8714 8.53662 39.5695 -0.00100401 0.00108997 0.00222587 7
1924 112 C 25.6983 7.59194 40.7913 0.00399861 -0.00189619 0.00316948 7
1925 113 C 25.7427 8.32253 42.15 -0.00132003 8.04007e-07 0.00404403 7
1926 114 C 25.4788 7.36038 43.3609 0.000341475 -0.00108377 -0.0019237 7
1927 115 C 25.3184 8.17971 44.6535 0.0010687 -0.00178572 0.00282327 7
1928 116 C 25.3293 7.34526 45.9189 -0.000978179 0.00473463 0.000236638 7
1929 117 C 25.3479 8.17344 47.2207 -0.00663877 -0.00336557 -0.000241409 7
1930 118 C 25.2755 -0.508295 33.5562 0.000607801 0.0057696 -0.00223444 7
1931 119 C 25.3664 -0.465608 35.0659 -0.00277229 -0.000434107 0.00466319 7
1932 120 C 26.1409 -1.70007 35.616 -0.002512 0.00149979 -0.00397031 7
1933 121 C 25.9795 -1.93666 37.1773 0.000156538 0.00377444 0.00111237 7
1934 122 C 25.946 -0.702235 38.0899 -0.00080682 -0.00139103 0.00299131 7
1935 123 C 25.9117 -1.19469 39.5583 -0.00494288 -0.000400502 -0.00731253 7
1936 124 C 25.587 -0.0486916 40.5082 0.00202718 6.68844e-05 -0.00108127 7
1937 125 C 25.2072 -0.485852 41.9212 0.000285258 -0.000961988 0.00155454 7
1938 126 C 26.3267 -1.01004 42.815 -0.000307319 0.00330809 0.00194507 7
1939 127 C 25.761 -1.5261 44.1435 -0.000899329 0.000403308 -0.00165808 7
1940 128 C 25.5563 -0.443969 45.148 -0.00312138 -0.00238965 -0.0024092 7
1941 129 C 25.1313 -0.950533 46.5109 -0.000754229 -0.0012343 -0.00131092 7
1942 130 F 24.9475 0.903143 24.7177 -0.000113326 -0.0023833 0.00161218 7
1943 131 H 25.9057 7.42788 31.4102 0.00152877 0.00254388 -0.0108157 7
1944 132 H 26.056 7.35583 29.0261 -0.00356571 0.00425613 -0.00075472 7
1945 133 H 25.2143 5.47397 27.7138 -0.00734454 0.00299227 -0.00106649 7
1946 134 H 18.8427 2.88725 30.847 -0.00160162 0.0123905 0.00732575 7
1947 135 H 19.1668 3.04064 28.4012 0.00424789 -0.0134032 -0.00579561 7
1948 136 H 21.4137 3.218 27.4403 0.000247034 -0.00827669 0.00281849 7
1949 137 H 25.8656 -1.16418 31.2446 -0.00866255 0.00197297 0.00806719 7
1950 138 H 25.8874 -1.05287 28.8099 0.00300666 -0.00923572 0.008385 7
1951 139 H 25.0168 0.934426 27.6659 -0.0141178 0.0159575 -0.00294054 7
1952 140 H 27.7095 5.24803 23.6848 -0.00625824 0.00683006 -0.00484418 7
1953 141 H 25.9442 5.30291 25.3716 0.0017357 0.00077032 -0.00147359 7
1954 142 H 26.8184 -0.72014 19.0114 -0.0205775 0.00833064 -0.00691666 7
1955 143 H 27.3178 -0.771621 16.5591 -0.000466909 0.00143459 -0.000812233 7
1956 144 H 27.4947 1.09756 20.3485 0.000862023 -0.00641976 -0.000759674 7
1957 145 H 33.5499 3.50046 19.6065 -0.00836401 -0.0220499 0.00579663 7
1958 146 H 33.6892 3.75041 17.2015 -0.000827502 0.00510324 -0.00475602 7
1959 147 H 31.3657 3.39872 20.7262 0.00811142 0.00566807 0.00368402 7
1960 148 H 26.0208 7.50692 19.3053 0.00218499 -0.00542872 0.0111489 7
1961 149 H 26.3267 7.64939 16.8347 -3.61532e-05 0.00116217 0.00275718 7
1962 150 H 29.1266 3.73403 15.6235 0.00817361 -0.0145426 -0.000140438 7
1963 151 H 27.1995 5.75279 20.5703 -0.00608255 0.0100507 0.0032025 7
1964 152 H 23.519 3.03263 32.5986 0.00222906 -0.00730203 -0.00356115 7
1965 153 H 32.8218 2.64137 14.8348 0.0029905 0.0174781 0.00562329 7
1966 154 H 31.0139 2.36325 14.7034 -0.000721251 -0.000257821 0.00856565 7
1967 155 H 32.5989 3.01946 12.6016 -0.00533003 0.0108054 -0.0109474 7
1968 156 H 32.2535 4.66715 13.1288 -0.0120277 0.0086646 0.010195 7
1969 157 H 30.4367 4.75552 12.0789 0.00111621 0.00538929 0.0122641 7
1970 158 H 29.7472 3.4452 12.9638 0.00579948 -0.0183385 5.06982e-05 7
1971 159 H 29.5495 2.39862 10.9825 -0.00476752 0.00629021 0.0059077 7
1972 160 H 31.2271 1.93483 11.258 -0.00940423 -0.00812826 -0.0174754 7
1973 161 H 31.964 3.68091 9.71268 -0.00119078 -0.00148855 0.000441588 7
1974 162 H 30.3937 4.51149 9.79695 0.00118779 0.0043848 0.00552629 7
1975 163 H 29.3964 2.44075 8.63096 0.00308311 0.00219714 -0.00289746 7
1976 164 H 30.9881 1.83777 8.44274 -0.00284703 -0.00537405 -0.0028063 7
1977 165 H 31.5789 4.03064 7.2007 0.00326729 -0.0128744 0.0129132 7
1978 166 H 29.8466 4.46635 7.31089 -0.00951509 -0.00428433 -0.0117322 7
1979 167 H 29.1701 2.59777 6.0752 0.00253359 -0.00281197 -0.00569406 7
1980 168 H 30.8277 1.96521 5.88291 -0.00436229 -0.00311941 -0.0063206 7
1981 169 H 31.4216 4.15247 4.77503 -0.00292858 0.00684317 0.00402219 7
1982 170 H 29.6757 4.57572 4.73138 0.00740589 0.00640064 -0.00905364 7
1983 171 H 29.3163 2.2663 3.50578 0.0107181 -0.0125979 -0.00284695 7
1984 172 H 31.0559 2.12295 3.45947 0.00232762 0.000137421 0.0029515 7
1985 173 H 31.054 4.4866 2.24603 0.00697809 -0.00323959 0.0215237 7
1986 174 H 29.315 4.22659 2.01667 0.0128761 0.0119598 -0.00592321 7
1987 175 H 29.8842 1.99878 0.873898 0.00249106 -0.00148796 0.0150564 7
1988 176 H 31.5788 2.28762 1.10943 0.000695226 -0.00482755 -0.00655388 7
1989 177 H 30.7177 3.41182 0.0938507 0.0257763 0.0032975 0.00480917 7
1990 178 H 29.4308 -0.461213 15.1273 -0.0149635 -0.00965952 0.00356764 7
1991 179 H 27.8112 -0.541503 14.4306 -0.000320717 0.00900798 -0.000661655 7
1992 180 H 28.5965 1.0326 12.5529 -0.00328596 -0.00473262 -0.000793063 7
1993 181 H 30.216 1.0018 13.2579 0.00322417 -0.0050171 -0.000619549 7
1994 182 H 30.5523 -1.37447 12.8117 0.0124977 0.00637881 -0.0101087 7
1995 183 H 28.8575 -1.58546 12.5432 0.0120421 -0.00471369 0.0155028 7
1996 184 H 28.8811 -0.624551 10.3259 0.000938406 -0.00663393 -0.00781607 7
1997 185 H 30.388 0.190104 10.5824 -0.00119652 0.00602391 0.00709297 7
1998 186 H 31.4027 -2.16628 10.8737 0.00404132 0.00295332 0.00323741 7
1999 187 H 29.9667 -2.7804 10.078 0.00309057 0.000356805 -0.0082484 7
2000 188 H 31.8263 -0.591892 8.85582 -0.000156899 0.00330413 -0.00173568 7
2001 189 H 31.8592 -2.33134 8.47887 -0.000576919 -0.00163874 0.0138861 7
2002 190 H 29.6027 -2.11819 7.44953 -0.00638985 0.00195361 0.00535936 7
2003 191 H 29.4701 -0.440256 7.94677 -0.00327751 -0.00552025 0.00167252 7
2004 192 H 31.4254 0.178152 6.70491 -0.00221439 0.00226896 -0.00130769 7
2005 193 H 31.7328 -1.53367 6.26577 0.00863282 0.0137242 0.00135781 7
2006 194 H 29.3028 0.0717762 5.31663 -0.00351295 -0.0067079 0.00100709 7
2007 195 H 30.8443 -0.0965184 4.49527 -0.00181767 -0.00171109 -0.00192657 7
2008 196 H 30.5007 -2.64083 4.28366 3.4524e-06 -0.00133232 -0.000943488 7
2009 197 H 29.0906 -2.45366 5.31022 0.00603777 0.00283276 0.00521283 7
2010 198 H 28.5268 -2.77325 2.88432 0.00697448 0.00509661 -0.00911779 7
2011 199 H 27.9089 -1.27783 3.48041 -0.000399249 0.00965973 -0.00168392 7
2012 200 H 30.6008 -1.63596 2.01411 0.00265864 0.00414059 -0.0042884 7
2013 201 H 29.1355 -1.12505 1.15099 -0.00284226 0.00355158 -0.00235182 7
2014 202 H 29.8898 -0.0222282 2.25919 0.019253 -0.00311474 -0.00562311 7
2015 203 H 27.0464 4.01328 14.7153 0.00150558 0.00625449 0.0207372 7
2016 204 H 25.7863 5.27617 14.4603 -0.00226846 -0.0115491 -0.0121126 7
2017 205 H 27.0425 6.30076 12.6924 -0.00479751 -0.000954672 0.00597449 7
2018 206 H 28.5013 5.43028 13.0858 -0.00070643 -0.00121192 0.00471696 7
2019 207 H 27.4312 3.21868 12.3934 -0.0128576 -0.00432697 -0.00129937 7
2020 208 H 25.9574 4.04757 11.9532 -0.00149847 -0.000672091 0.00203527 7
2021 209 H 28.57 5.05634 10.6536 -0.00562622 0.0122551 0.00616847 7
2022 210 H 27.811 3.62208 10.0544 -0.00718801 0.00121333 -0.00504554 7
2023 211 H 25.5808 4.84563 9.87305 -0.00431698 0.00486009 -0.0103108 7
2024 212 H 26.4972 6.33367 10.1938 0.00658598 -0.00126926 0.0124718 7
2025 213 H 27.8681 6.10875 8.20769 0.00467215 -0.00981737 -0.00619282 7
2026 214 H 27.3812 4.4779 7.94293 0.0118906 0.00208501 -0.00475425 7
2027 215 H 25.0415 5.29489 7.44051 0.00739672 -0.00947151 -0.0046172 7
2028 216 H 25.5271 6.93387 7.80995 0.00895688 0.00604107 0.00192713 7
2029 217 H 25.3835 6.66854 5.38528 0.00361906 0.010338 0.00304961 7
2030 218 H 27.0124 7.07732 5.86643 0.000924689 -0.0041646 -0.00836239 7
2031 219 H 27.6231 4.60593 5.81098 -0.00823268 -0.00959643 0.00342736 7
2032 220 H 26.0343 4.23726 5.3393 -0.0125061 0.00988412 -0.00549292 7
2033 221 H 28.0275 5.97133 3.62794 -0.00661549 0.00187147 -0.00327317 7
2034 222 H 27.5898 4.28424 3.37437 0.00705193 0.00295027 0.00578817 7
2035 223 H 25.1366 5.1831 2.97536 0.000478392 -0.00031454 -0.0133706 7
2036 224 H 25.7165 6.75289 3.23166 -0.0122167 0.00101093 3.20184e-05 7
2037 225 H 26.8061 4.90171 1.00498 0.00568801 0.0016684 -0.0086939 7
2038 226 H 25.5847 6.07066 0.745187 0.00209183 -0.00604542 -0.00306165 7
2039 227 H 27.2282 6.61891 1.30293 -0.00678957 0.00346443 -0.0108376 7
2040 228 H 18.9415 4.14784 32.9232 0.012229 0.00626261 0.00287453 7
2041 229 H 18.9018 2.36796 32.9795 0.013679 -0.00310963 -0.00930062 7
2042 230 H 19.8485 2.1595 35.1354 -0.0120291 -0.00545271 0.0033079 7
2043 231 H 20.4023 3.8347 35.0317 -0.00587136 0.00522026 0.000112037 7
2044 232 H 18.0747 4.64591 35.337 0.000256681 0.00312742 0.00294544 7
2045 233 H 17.4656 3.02474 35.2819 0.00233253 -0.000214108 0.00260429 7
2046 234 H 18.6299 2.37041 37.3676 0.00311227 0.00147582 -0.00934185 7
2047 235 H 19.4881 3.93021 37.4496 -0.00443552 -0.0017376 0.00645329 7
2048 236 H 17.2117 5.06436 37.783 0.00167365 0.00595088 0.0140853 7
2049 237 H 16.4993 3.53225 37.8177 -0.00467487 -0.00349565 0.00496805 7
2050 238 H 18.6979 4.6463 39.7006 -0.00474801 0.00639456 0.00387849 7
2051 239 H 16.9522 4.614 40.0764 0.00691936 0.00442883 0.0100978 7
2052 240 H 16.9017 2.29164 40.4031 0.00426437 -0.0145017 -0.000911404 7
2053 241 H 18.4028 1.93626 39.6293 0.00148206 -0.00161319 -6.64828e-05 7
2054 242 H 19.1163 1.70122 41.7992 0.00611173 0.0080303 0.0109601 7
2055 243 H 19.5538 3.34286 41.6034 0.00599602 -0.00502111 0.0108058 7
2056 244 H 17.5899 4.19421 42.7394 -0.00485425 -0.0040329 0.00102987 7
2057 245 H 16.8888 2.57299 42.9569 -0.00109398 -0.00679115 0.00260767 7
2058 246 H 19.0999 1.99475 44.222 -0.00193417 -0.00408577 0.00464056 7
2059 247 H 19.4249 3.71003 44.1804 0.00707058 -0.00523299 -0.00455637 7
2060 248 H 17.0703 3.90083 45.4283 0.0123671 0.00749099 -0.000489227 7
2061 249 H 17.1036 2.13286 45.3614 0.000524131 -0.00195553 0.00901324 7
2062 250 H 17.8765 3.0001 47.6603 0.000255825 0.00139658 0.00403572 7
2063 251 H 18.9061 1.83446 46.8653 0.0013768 -0.000392675 -0.0107058 7
2064 252 H 19.3184 3.58975 46.8636 -0.00542823 0.00431475 0.0105156 7
2065 253 H 26.547 6.82914 33.334 0.00355997 0.0106326 0.00823345 7
2066 254 H 25.0269 7.77852 33.3843 -0.0197445 -0.00734296 0.0192424 7
2067 255 H 24.6741 6.87672 35.6628 6.81248e-05 -0.000544226 -0.00491886 7
2068 256 H 26.168 6.0314 35.629 0.00241996 -0.00757791 -0.0235221 7
2069 257 H 27.566 7.80832 35.6477 -3.62902e-05 0.00153833 -0.00564986 7
2070 258 H 26.5517 8.91085 34.8208 0.00131097 -0.000515854 0.000787299 7
2071 259 H 26.9947 9.46844 37.2447 0.00105181 -0.0056076 -0.000418986 7
2072 260 H 25.2779 9.35171 36.8708 0.000859633 0.00515799 0.0108772 7
2073 261 H 25.2003 7.07559 38.0084 -0.00668787 0.000617626 0.00968294 7
2074 262 H 26.9571 7.22796 38.1975 0.00319984 0.00550475 0.0103128 7
2075 263 H 26.7822 9.13829 39.6778 0.00779788 -0.0103044 -0.00826532 7
2076 264 H 25.0361 9.24768 39.5824 0.00191065 0.00448245 0.00419354 7
2077 265 H 24.7306 7.07868 40.7318 0.0122216 -0.0171221 0.000796356 7
2078 266 H 26.4771 6.82207 40.7271 0.00839965 0.00240994 0.00496416 7
2079 267 H 26.6965 8.83219 42.3343 0.001058 0.00158236 -0.0128086 7
2080 268 H 24.9661 9.09736 42.1478 0.0023274 0.00360859 -0.00996099 7
2081 269 H 24.5668 6.7624 43.2419 0.00542202 -0.00979043 0.00281181 7
2082 270 H 26.3422 6.69302 43.4733 -0.000215655 -0.00371137 -0.0132931 7
2083 271 H 26.1427 8.88332 44.8231 0.00427824 -0.00715114 0.00961024 7
2084 272 H 24.3886 8.76072 44.6155 -0.00295974 -0.00809728 0.00485547 7
2085 273 H 24.429 6.71911 45.8905 -0.00335753 0.00858388 -0.00939811 7
2086 274 H 26.2019 6.68064 45.9315 -0.00302172 0.00218188 0.0075246 7
2087 275 H 25.3762 7.48324 48.0729 -0.00621021 0.000768481 0.00308892 7
2088 276 H 26.2438 8.79461 47.3426 -0.00809848 -1.27301e-06 -0.00671082 7
2089 277 H 24.5245 8.89638 47.2733 -0.00584829 -0.00338814 0.0123583 7
2090 278 H 24.5797 -1.28424 33.2139 0.00389508 0.0016265 0.000484257 7
2091 279 H 26.2835 -0.757391 33.2022 0.00122056 0.0095436 -0.00314761 7
2092 280 H 24.3677 -0.44058 35.5193 -0.00225833 0.00221799 0.00564683 7
2093 281 H 25.8886 0.457072 35.3475 0.00258129 -0.00130675 -0.00237486 7
2094 282 H 27.2124 -1.71312 35.3812 -0.0030244 0.00662295 -0.00654753 7
2095 283 H 25.8028 -2.63001 35.1425 -0.0086791 0.0095758 -0.0153693 7
2096 284 H 26.7547 -2.64917 37.4852 0.000849173 -0.00256224 -0.0152054 7
2097 285 H 25.0484 -2.49481 37.3352 -0.000663562 -0.00189455 -0.0236289 7
2098 286 H 25.0165 -0.137044 37.9484 -0.00311584 -0.0059221 0.000106401 7
2099 287 H 26.767 -0.0153564 37.85 0.00257957 -0.0102534 -0.0108675 7
2100 288 H 26.8867 -1.61904 39.8281 -0.0082832 -0.00733057 -0.00614563 7
2101 289 H 25.1783 -2.00852 39.6142 -0.00996521 0.00587978 0.0173086 7
2102 290 H 24.7352 0.499781 40.0874 0.000478676 -0.00558002 -0.00533312 7
2103 291 H 26.4856 0.579446 40.5451 -0.00501289 0.0102991 -0.00438453 7
2104 292 H 24.4232 -1.24939 41.8448 0.00235058 -0.00209061 -0.00832622 7
2105 293 H 24.7702 0.378012 42.4371 0.00532829 0.00083822 0.00281745 7
2106 294 H 27.1032 -0.261187 43.0139 0.00766716 -0.00328335 -0.00440164 7
2107 295 H 26.8003 -1.8899 42.3623 0.00675198 0.00588823 0.00431047 7
2108 296 H 26.4954 -2.20905 44.588 0.00359877 0.010098 0.00585753 7
2109 297 H 24.8119 -2.03388 43.932 -0.00371945 0.00349032 0.00358145 7
2110 298 H 24.7324 0.188893 44.7958 -0.00366162 -0.00260529 -0.00153718 7
2111 299 H 26.4718 0.151421 45.2519 -0.00282478 -0.00153168 -0.00994716 7
2112 300 H 24.7976 -0.128197 47.1558 -0.0038521 0.00303305 -0.00835513 7
2113 301 H 25.9687 -1.48776 46.9729 0.0017625 0.00348772 -0.000387115 7
2114 302 H 24.2683 -1.62009 46.4093 -0.000265889 -0.00123763 -0.00544008 7
2115 1 C 28.9818 13.6095 30.7969 0.00245797 0.00268516 0.00320569 8
2116 2 C 29.073 13.5168 29.3982 0.00177184 0.00209247 -0.00115005 8
2117 3 C 28.7923 12.3311 28.7736 0.00583142 -0.00117197 0.00202886 8
2118 4 C 28.2579 11.2361 29.4992 0.000954885 0.000117679 0.000885924 8
2119 5 C 28.1528 11.3234 30.9214 0.00110652 -0.00257111 0.00100591 8
2120 6 C 28.5467 12.5155 31.5905 -0.00136285 0.00454816 -0.000207523 8
2121 7 C 23.7492 9.81785 30.4109 0.00233581 -0.0011498 0.000759394 8
2122 8 C 23.9162 9.76999 29.0088 0.00301479 -0.00248232 -0.00207291 8
2123 9 C 25.1927 9.79457 28.4534 0.00207587 0.00220514 0.00273551 8
2124 10 C 26.3017 9.88687 29.2912 -0.00184975 0.000836943 9.35027e-05 8
2125 11 C 26.1394 9.98155 30.696 -0.00359318 0.00479218 0.00125288 8
2126 12 C 24.8678 9.9238 31.2679 -0.00187394 -0.0025752 0.00407754 8
2127 13 C 29.1293 6.62038 31.1459 -0.00239946 -0.000351009 -0.00179306 8
2128 14 C 29.2569 6.54313 29.7321 0.000750388 -0.00307567 0.000646584 8
2129 15 C 28.9626 7.6664 28.952 0.00107696 -0.00297707 -0.000595401 8
2130 16 C 28.3752 8.77807 29.5862 -0.00337397 -0.00546303 0.00264001 8
2131 17 C 27.7476 9.9326 28.8445 0.000628926 0.000598482 0.000232076 8
2132 18 O 28.6437 7.88365 33.1605 -0.0013356 0.00319296 0.00194869 8
2133 19 O 24.7256 9.94351 32.6417 0.000596587 0.00146145 0.000318172 8
2134 20 O 28.4695 12.6527 32.9822 -0.00201356 -0.000498088 0.000161974 8
2135 21 C 28.6874 7.81039 31.8057 -0.000504899 -0.000759918 0.000138629 8
2136 22 C 28.0055 9.84833 27.414 -0.0048452 0.000317434 0.00536752 8
2137 23 C 28.4341 9.76836 26.2771 -0.000132093 -0.00493704 0.000999988 8
2138 24 C 29.1724 9.78445 25.0415 -0.000559098 -0.000688056 -0.00381115 8
2139 25 C 29.0838 10.9021 24.169 -0.000998472 0.00135749 -0.00164241 8
2140 26 C 29.9072 10.948 23.077 -0.00365083 0.00173057 0.000728861 8
2141 27 C 30.8858 9.98209 22.8964 0.00134892 0.00122654 -0.00276037 8
2142 28 C 30.98 8.89153 23.7831 0.00129562 -0.00291563 0.00180952 8
2143 29 C 30.0696 8.7495 24.8208 0.00598251 -0.00045244 -4.84696e-05 8
2144 30 C 31.6334 9.97088 21.6658 8.28226e-05 -0.000767351 -0.00120961 8
2145 31 C 32.186 10.0238 20.6005 0.00123694 0.00360191 0.00581441 8
2146 32 C 30.5996 7.10065 17.8678 0.00418046 -0.00365737 0.00287903 8
2147 33 C 30.8983 7.17634 16.5034 0.00471442 0.00283092 -0.0062849 8
2148 34 C 31.7016 8.24674 16.0318 0.000566625 -0.00309422 0.00256079 8
2149 35 C 32.1419 9.25658 16.955 0.0039041 0.00189185 -0.00435637 8
2150 36 C 31.9081 9.0642 18.3132 0.00135409 0.000264855 0.00385661 8
2151 37 C 31.1013 8.02085 18.7775 -0.00151437 0.00489984 0.00202015 8
2152 38 C 32.5552 10.1481 19.1915 0.00258936 0.00407873 0.0041318 8
2153 39 C 36.4 10.1255 19.2028 0.00202575 0.000245343 0.00249985 8
2154 40 C 36.635 10.2275 17.8187 -0.00119986 -0.00103338 0.000715105 8
2155 41 C 35.5735 10.2736 16.929 0.000301927 0.0014442 0.00248922 8
2156 42 C 34.2768 10.2116 17.4279 0.000594934 0.000951703 -0.00238253 8
2157 43 C 34.0459 10.0865 18.821 9.83087e-05 -0.00100436 -0.00219305 8
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2377 263 H 30.1195 13.5404 40.075 0.0125598 0.00120343 0.0144579 8
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2543 127 C 33.9717 -0.900736 44.4915 0.00225969 0.00108231 0.00467529 9
2544 128 C 33.852 -1.1815 46.0224 0.00250566 -0.00363388 -0.000643859 9
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2670 254 H 32.6449 7.91951 33.3858 -0.00176329 0.00630534 0.00464019 9
2671 255 H 32.1496 7.39319 35.718 0.00968372 0.00314759 0.0100379 9
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2675 259 H 34.7828 9.66393 37.2632 0.0101109 -0.00825266 0.00195144 9
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2677 261 H 33.2394 7.17117 38.1042 0.00172836 -0.00105385 -0.0113237 9
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2686 270 H 34.7269 9.68535 42.5045 0.00420185 0.00187715 0.00435953 9
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2701 285 H 32.8317 0.52747 38.1582 -0.00786103 0.000779483 -0.00872737 9
2702 286 H 34.975 -0.960642 38.6111 0.00310166 0.0113672 0.00141333 9
2703 287 H 33.8605 -2.10135 39.3536 0.0161884 -0.000420178 0.00505798 9
2704 288 H 34.0272 0.924342 40.0406 0.00133069 0.00527844 0.00953806 9
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2706 290 H 32.0578 -0.267996 41.0552 0.00582137 -0.00488887 -0.0018918 9
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2708 292 H 34.3395 -1.99485 42.0982 0.00273621 0.00328495 -0.00665478 9
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2720 2 C 37.2219 13.3187 29.7941 -5.4172e-05 -0.00299959 0.00145269 10
2721 3 C 36.6501 12.2268 29.142 0.00273174 0.00342362 -0.00108449 10
2722 4 C 36.045 11.1938 29.9165 0.00564628 -5.57029e-05 0.000998694 10
2723 5 C 35.915 11.3047 31.3424 -0.00162095 0.00341785 -0.00219433 10
2724 6 C 36.577 12.4256 31.9889 0.000718705 0.00180588 -0.00312059 10
2725 7 C 31.3841 10.1595 30.7382 0.000253495 -0.00251209 0.0024559 10
2726 8 C 31.5439 10.141 29.338 -0.000539428 0.00102521 0.00364003 10
2727 9 C 32.8576 10.0669 28.8883 0.000363816 0.00377784 -0.0013021 10
2728 10 C 33.9479 10.0269 29.7889 -0.00121973 -0.0013758 -0.000713008 10
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2730 12 C 32.4637 10.1732 31.682 -0.00254131 -0.000693766 0.00272671 10
2731 13 C 37.1624 6.73592 31.499 -0.00414508 0.000396609 0.000708568 10
2732 14 C 37.1859 6.62501 30.1191 2.83585e-05 -0.000447416 -0.00488297 10
2733 15 C 36.6902 7.69238 29.3882 -0.00104388 -0.000218846 -0.00277558 10
2734 16 C 36.0256 8.75732 30.0596 0.00144275 -0.003407 0.00176647 10
2735 17 C 35.4015 9.93677 29.3086 0.000902528 0.000782923 -0.000821089 10
2736 18 O 36.5063 7.60651 33.6061 0.000197342 -0.00412614 0.000431766 10
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2738 20 O 36.5297 12.6366 33.3647 0.000649633 0.00288062 0.00197877 10
2739 21 C 36.5228 7.74361 32.2279 0.00177071 -0.00456588 -0.000630023 10
2740 22 C 35.6326 9.83047 27.8461 -0.00237822 -0.00259171 0.00155718 10
2741 23 C 36.0922 9.85409 26.7398 0.001776 -0.00775054 -0.00223951 10
2742 24 C 36.7895 9.87949 25.4783 0.000388414 0.00144333 0.000302399 10
2743 25 C 36.4974 9.01438 24.3913 -0.0011064 0.00169819 0.00405113 10
2744 26 C 37.3202 9.07399 23.2576 -0.000506355 -0.00217285 -0.00119815 10
2745 27 C 38.3245 10.0572 23.1822 -0.00308263 -0.00349131 0.00363207 10
2746 28 C 38.6129 10.9436 24.2381 0.00189832 -0.000376865 0.000146079 10
2747 29 C 37.833 10.8377 25.4053 0.00319285 -0.00191296 -0.00110919 10
2748 30 C 39.1317 10.2094 22.0121 0.00335629 -0.00249936 -0.000657139 10
2749 31 C 39.7319 10.2337 20.9627 0.00325195 -0.00127883 -0.00395345 10
2750 32 C 38.4592 6.92592 18.6035 -0.000382311 0.00349439 -0.00213034 10
2751 33 C 38.6567 6.96529 17.239 -0.00413814 0.00165704 0.00148891 10
2752 34 C 39.3893 8.04509 16.6152 0.000248585 -0.00290438 -0.00206581 10
2753 35 C 39.9537 9.0145 17.4203 -0.00139393 -0.000621606 -0.000551711 10
2754 36 C 39.6995 8.99684 18.8119 0.000998385 -0.00159571 -0.00237205 10
2755 37 C 39.0356 7.90524 19.4013 -0.00122897 -0.00411865 0.00505881 10
2756 38 C 40.2136 10.2592 19.5508 0.00261036 0.00148929 0.000197454 10
2757 39 C 44.0643 10.2854 19.74 -0.000484575 0.000844267 -0.00189759 10
2758 40 C 44.3543 10.324 18.3595 -0.000367507 0.00145511 -0.00099574 10
2759 41 C 43.3455 10.2288 17.4002 -0.00049853 0.00149013 0.000975156 10
2760 42 C 42.0354 10.1875 17.8693 0.00146073 0.00517205 -0.00112341 10
2761 43 C 41.7297 10.226 19.2722 -0.000631913 0.0046946 -6.97297e-05 10
2762 44 C 42.7637 10.3023 20.2161 0.00450767 0.00340497 -0.000785987 10
2763 45 C 38.7472 13.6413 18.4193 0.00101354 -0.00163285 -0.000282763 10
2764 46 C 39.1942 13.6223 17.087 -0.00128071 0.00147036 0.00604346 10
2765 47 C 39.7384 12.4581 16.5258 -0.00158897 0.00144762 -0.0014225 10
2766 48 C 40.0034 11.3764 17.3765 -0.00109506 0.00294081 -0.00207094 10
2767 49 C 40.8208 10.1624 16.9635 -0.00108325 0.00051366 0.00372497 10
2768 50 C 39.6484 11.4292 18.7389 -0.00170481 0.00149929 -5.02873e-05 10
2769 51 C 38.9774 12.5245 19.2759 -0.00249972 0.00225749 -0.000348715 10
2770 52 O 43.603 10.2034 16.0189 -0.00221944 0.000250594 -0.00096818 10
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2773 55 C 35.1734 10.1031 31.9617 -0.000880927 -0.00300666 -0.00389576 10
2774 56 C 35.9209 8.80443 31.4742 -0.000988506 -0.00297967 0.000633392 10
2775 57 C 44.8136 9.67055 15.5117 -0.000462222 0.000969675 0.000118848 10
2776 58 C 44.8144 9.8725 13.983 -0.00254311 -0.000692041 0.00111466 10
2777 59 C 44.0921 8.73943 13.1685 -0.00173622 -0.000550693 0.00555294 10
2778 60 C 42.5925 8.95062 12.8558 -0.000463473 0.000660862 0.00494221 10
2779 61 C 42.1939 9.90095 11.714 0.00165687 0.000731662 -0.00216015 10
2780 62 C 42.6899 9.40639 10.3433 -0.00097266 0.00107636 0.000320895 10
2781 63 C 41.951 10.1951 9.24578 0.000362189 -0.00548332 -0.00176352 10
2782 64 C 42.6216 10.2018 7.85466 -0.00439148 0.00121175 -0.00528157 10
2783 65 C 41.5439 10.4649 6.78159 0.000504099 -0.00332857 0.000828924 10
2784 66 C 42.0806 10.9154 5.36839 0.00426926 -0.0028557 0.00539289 10
2785 67 C 42.501 9.78443 4.45284 0.000674772 -0.00145081 0.000195061 10
2786 68 C 42.7083 10.2676 3.02114 0.00266137 0.00544515 0.000820602 10
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2788 70 C 39.1158 7.22104 14.2748 -0.00232899 -0.000264023 9.0914e-05 10
2789 71 C 39.1293 7.93136 12.9233 -0.000850943 -0.000701433 -0.00133603 10
2790 72 C 38.7745 7.03056 11.7078 0.00158804 0.000228649 0.00248852 10
2791 73 C 38.8298 7.79229 10.3913 0.00167223 0.00146973 0.00324487 10
2792 74 C 38.4198 6.9517 9.18389 0.00392972 0.000405373 0.00140938 10
2793 75 C 38.3442 7.79447 7.89645 0.000695448 -0.00160007 0.00183203 10
2794 76 C 38.0299 6.94539 6.64881 -0.000356118 4.23359e-05 0.000267381 10
2795 77 C 38.2716 7.7116 5.30626 0.00331271 0.00234671 -0.00595662 10
2796 78 C 38.4636 6.7419 4.09221 -0.00014435 -0.000197161 0.000747507 10
2797 79 C 38.9617 7.44606 2.7767 -0.00141231 0.00274916 -0.0028045 10
2798 80 C 37.8287 8.09935 1.96479 -0.000623022 -0.00118625 0.00327011 10
2799 81 C 36.8786 7.08176 1.27946 -0.0035074 0.00176559 0.000709446 10
2800 82 C 40.5731 13.5159 14.4752 0.00420173 -0.00223944 -0.00148933 10
2801 83 C 41.0889 13.021 13.1185 0.00207661 -0.000765375 -0.00138747 10
2802 84 C 41.4188 14.2315 12.1784 -0.00164093 0.000367472 -0.000118942 10
2803 85 C 41.7652 13.9962 10.7121 0.00593378 -0.00159159 -0.00163025 10
2804 86 C 42.1369 15.3075 9.97137 -0.00436277 0.00356749 0.00274303 10
2805 87 C 42.4415 15.1704 8.47664 -0.00101415 -0.000474392 -0.000410181 10
2806 88 C 41.4801 14.2127 7.70648 -0.00128344 0.00074141 -0.00283627 10
2807 89 C 41.469 14.3813 6.18224 -0.000809861 0.0021913 0.00579166 10
2808 90 C 42.8424 14.6057 5.51154 -0.000530664 -0.000880195 0.0059193 10
2809 91 C 42.7463 14.1942 4.00386 -0.00151023 -0.000822457 -0.00211076 10
2810 92 C 41.5704 14.7362 3.19754 -0.000115833 0.00167221 0.00317215 10
2811 93 C 41.5802 14.0489 1.79567 -0.00173894 -0.00524744 0.00161597 10
2812 94 C 30.882 10.4013 33.5859 0.00324123 -0.00174279 -0.00179395 10
2813 95 C 30.9681 10.4977 35.105 0.00182919 0.000734226 -0.00224541 10
2814 96 C 29.7129 10.2132 35.9795 -0.00102809 -0.0012573 0.00108511 10
2815 97 C 30.3131 9.99024 37.4255 -0.00268135 0.00267424 5.33059e-05 10
2816 98 C 29.405 9.97127 38.6576 -0.000184765 -0.000405359 0.00561671 10
2817 99 C 30.3419 9.6242 39.8371 -0.000222738 0.00187122 0.00261133 10
2818 100 C 29.6211 9.4986 41.1683 -0.00050191 0.0045067 0.00180549 10
2819 101 C 29.4085 10.8576 41.8612 0.00271643 0.0041674 0.00155048 10
2820 102 C 29.774 10.7628 43.3603 -0.00153427 0.000699744 -0.000215013 10
2821 103 C 28.6867 10.0431 44.1618 0.00166444 0.00167829 -0.00388955 10
2822 104 C 28.8439 10.2172 45.6915 -0.000414431 0.00253337 0.00105717 10
2823 105 C 30.0992 9.53632 46.2047 0.00143945 -0.000864781 -0.00158539 10
2824 106 C 37.1076 13.8779 33.8457 0.00134588 -0.00202492 -0.00377402 10
2825 107 C 36.9896 14.129 35.3736 -0.00173805 -0.00137118 0.00100523 10
2826 108 C 37.6855 15.4268 35.9354 0.00148686 0.00301689 -0.00136692 10
2827 109 C 37.2873 15.8185 37.4326 -0.00016374 0.00123199 -0.00249817 10
2828 110 C 37.3356 14.6185 38.3586 -0.0025049 0.00210621 -0.00096555 10
2829 111 C 36.682 14.8445 39.7494 -0.0028595 -0.00236653 -0.00361692 10
2830 112 C 37.4875 15.705 40.6712 -0.000192848 0.000386483 -0.00387625 10
2831 113 C 36.8419 15.8241 42.0374 -0.000120207 -0.00270755 -4.08592e-05 10
2832 114 C 37.0513 14.5695 42.9035 -0.00106993 -0.0024899 0.00188346 10
2833 115 C 36.5966 14.67 44.3354 -0.00246668 -0.00097057 0.00124834 10
2834 116 C 37.6021 15.4382 45.23 0.00193087 -0.000598285 0.00260449 10
2835 117 C 37.2254 15.3584 46.7226 0.00169678 0.000967623 -0.00458037 10
2836 118 C 37.0769 6.46543 34.2467 -0.000767943 -0.00132717 -0.00250963 10
2837 119 C 36.9036 6.5079 35.8033 -0.00623149 0.000914236 0.00203063 10
2838 120 C 37.7589 5.38796 36.5077 0.00292826 -0.00386902 -0.000307129 10
2839 121 C 37.462 5.30696 38.0311 -0.00158423 0.0032414 0.000998344 10
2840 122 C 37.9689 6.53974 38.7743 0.00258267 -0.000997866 0.00141733 10
2841 123 C 37.4922 6.72695 40.1982 -0.0054326 0.000541809 0.00137778 10
2842 124 C 37.7839 5.53991 41.088 -0.00430636 0.00372609 0.00297921 10
2843 125 C 37.0061 5.50913 42.405 -0.000230231 0.0022209 4.756e-05 10
2844 126 C 37.5747 6.40763 43.5812 -0.000998207 0.0026096 -0.0069173 10
2845 127 C 36.8199 6.02542 44.874 -0.000846976 -0.0009184 -0.00092581 10
2846 128 C 36.9478 6.9759 46.0534 0.000295657 -0.00283135 0.00169012 10
2847 129 C 38.3872 7.12416 46.494 0.000310725 0.00131941 0.00516435 10
2848 130 F 35.5318 8.0402 24.512 -0.00385905 -0.0018163 -0.00194772 10
2849 131 H 37.6841 14.2567 31.6185 0.000261595 0.00112915 -0.0104017 10
2850 132 H 37.6991 14.0391 29.1364 0.0137331 0.00479753 0.0201129 10
2851 133 H 36.6239 12.1784 28.0574 0.0122803 0.00704495 -0.00145796 10
2852 134 H 30.3849 10.2902 31.1432 -0.00606353 -0.0105473 -0.0106188 10
2853 135 H 30.713 10.228 28.6441 -0.0034729 0.00794243 0.00801259 10
2854 136 H 33.0689 10.0142 27.8244 0.00890794 0.00746498 0.000199098 10
2855 137 H 37.6367 5.89289 31.9926 0.0129762 -0.000304096 -0.0169458 10
2856 138 H 37.6765 5.79799 29.6144 0.00092237 1.22482e-05 -0.00476828 10
2857 139 H 36.7153 7.59435 28.3069 0.00150864 -0.00219883 -0.00253639 10
2858 140 H 39.3441 11.7447 24.1826 -0.00361263 0.0050167 0.00495363 10
2859 141 H 38.029 11.4599 26.2736 -0.00220898 0.00275056 -0.00323599 10
2860 142 H 38.0125 6.07447 19.1083 0.000720312 0.00187552 -0.00388168 10
2861 143 H 38.2015 6.17403 16.6507 0.00138295 -0.00508593 0.00627864 10
2862 144 H 38.924 7.85036 20.4801 -0.00378139 -0.00453174 0.00477238 10
2863 145 H 44.9129 10.351 20.4146 0.00331644 -0.00435354 -0.00616115 10
2864 146 H 45.3803 10.3124 18.0036 0.00260008 -0.0154923 0.00809997 10
2865 147 H 42.5443 10.3934 21.2758 -3.44359e-05 0.015442 -0.00275039 10
2866 148 H 38.2578 14.5204 18.8281 -0.0128911 -0.00265555 -0.0147076 10
2867 149 H 39.1539 14.5645 16.5484 -0.0154245 -0.00116706 0.00250249 10
2868 150 H 41.0685 10.0824 15.8978 0.000942195 0.0144613 0.00316285 10
2869 151 H 38.7498 12.6023 20.335 -0.0127209 0.0062864 -0.00284508 10
2870 152 H 35.0355 10.2458 33.0406 0.00557305 0.00717993 -0.00440679 10
2871 153 H 45.6814 10.2198 15.8975 -0.00121127 0.00310727 -0.00123713 10
2872 154 H 44.8938 8.61096 15.7842 -0.00610882 -7.15451e-05 -0.00226047 10
2873 155 H 45.8697 9.90962 13.6858 -0.004444 -0.00397499 -0.00604701 10
2874 156 H 44.3395 10.8127 13.6765 -0.0178858 -0.0102094 -0.00437956 10
2875 157 H 44.2511 7.79497 13.7034 -0.00016695 0.00117723 0.00814764 10
2876 158 H 44.6033 8.61015 12.2065 -0.00771105 0.00155604 0.00209382 10
2877 159 H 42.0687 9.23159 13.7779 -0.00596486 0.00777711 -0.000357414 10
2878 160 H 42.2275 7.94645 12.6071 -2.1681e-06 -0.00308055 0.0193244 10
2879 161 H 42.5842 10.9063 11.915 -0.000746488 0.00102497 0.00105626 10
2880 162 H 41.1038 10.0237 11.7141 0.00120259 -0.00333077 -0.0030437 10
2881 163 H 42.4451 8.34159 10.2449 0.00274598 0.000178267 0.000836495 10
2882 164 H 43.7727 9.56017 10.2569 -0.00129819 0.00543654 0.0039309 10
2883 165 H 41.7674 11.2252 9.5754 -0.00277675 -0.00565319 -0.00297037 10
2884 166 H 40.9327 9.79212 9.1805 0.00290523 -0.0128186 0.00391536 10
2885 167 H 43.1322 9.27285 7.57215 0.00181088 -0.000585794 0.0119577 10
2886 168 H 43.4133 10.9605 7.82442 -0.00234552 2.53012e-05 0.0187391 10
2887 169 H 40.889 11.274 7.12779 0.00547573 -0.00209725 0.00734981 10
2888 170 H 40.9552 9.54347 6.6934 -0.0067373 0.00223303 -0.00875017 10
2889 171 H 42.8857 11.6489 5.49912 0.00240179 0.00211485 -0.0110603 10
2890 172 H 41.2292 11.3894 4.86445 0.00441938 -0.0133777 -0.00477362 10
2891 173 H 41.7449 8.98961 4.4462 -0.0108736 0.00957272 -0.00454888 10
2892 174 H 43.4472 9.40016 4.85346 0.000448114 0.00999665 0.0117615 10
2893 175 H 43.0222 9.47489 2.33083 -0.0152479 0.0020306 -0.00342704 10
2894 176 H 43.4684 11.0579 2.98901 0.00334117 0.0044609 -0.00724486 10
2895 177 H 41.7464 10.6047 2.61557 0.00330356 -0.008661 -0.0124966 10
2896 178 H 39.8599 6.41506 14.2636 0.00669878 0.00802547 0.00301294 10
2897 179 H 38.1344 6.78017 14.4891 -0.00837751 0.00682999 -0.0130922 10
2898 180 H 38.5073 8.83464 12.8981 -0.0023518 -0.00171006 -0.000299434 10
2899 181 H 40.1412 8.32446 12.7655 -0.00236135 0.00148619 -0.00559043 10
2900 182 H 39.5027 6.21019 11.6954 0.00858078 0.00638373 0.00553218 10
2901 183 H 37.7766 6.59101 11.8282 0.00635065 -0.011916 -0.00234777 10
2902 184 H 38.0586 8.57202 10.4156 -0.000779156 -0.0010504 0.00624601 10
2903 185 H 39.8043 8.24389 10.1678 0.00172586 -0.00254288 -0.00472023 10
2904 186 H 39.1627 6.15085 9.0831 0.00196645 -0.00147983 0.00193306 10
2905 187 H 37.4456 6.4965 9.40103 0.0064062 -0.0011784 0.00923822 10
2906 188 H 37.5863 8.58245 7.98621 0.00278097 -0.000664763 0.0111887 10
2907 189 H 39.3439 8.21578 7.73335 0.000855455 -0.00790694 -0.0136462 10
2908 190 H 38.6463 6.03899 6.60501 -0.00922147 -0.00560248 -0.00820453 10
2909 191 H 36.9881 6.60301 6.61988 -0.00108926 0.00282341 -0.00685528 10
2910 192 H 37.4929 8.46224 5.1227 -0.00492929 -0.00387533 0.00359385 10
2911 193 H 39.2179 8.2595 5.39365 0.00241341 0.00470286 -0.0110095 10
2912 194 H 39.2236 6.00945 4.39101 -0.00633291 -0.0149544 -0.0197689 10
2913 195 H 37.5243 6.19143 3.95729 -0.00537422 0.0100021 -0.0044602 10
2914 196 H 39.7598 8.17899 2.94748 -0.00139442 0.00265604 -0.00249073 10
2915 197 H 39.4111 6.66542 2.15059 0.000201643 5.49982e-05 0.00171047 10
2916 198 H 37.2482 8.78367 2.59575 0.00191888 0.0107611 -0.00734419 10
2917 199 H 38.2641 8.70143 1.15773 -0.00043459 0.00198201 0.00573794 10
2918 200 H 37.4296 6.36828 0.654395 -0.00321405 0.00273016 -0.000131504 10
2919 201 H 36.3765 6.53299 2.08583 -0.01129 0.00865421 0.000557876 10
2920 202 H 36.0994 7.58759 0.69598 0.00547077 0.00914894 -0.00486645 10
2921 203 H 39.6451 14.0799 14.3199 0.00343328 -0.000614989 0.00900057 10
2922 204 H 41.3729 14.0839 14.9663 0.00298105 -0.00839943 0.00763361 10
2923 205 H 42.0081 12.4615 13.3314 0.00134119 -0.00065185 0.00209089 10
2924 206 H 40.3567 12.34 12.6674 -5.8439e-05 0.000975778 -0.0005572 10
2925 207 H 40.5054 14.839 12.1688 -0.00046133 0.00201655 -0.00755006 10
2926 208 H 42.1963 14.8348 12.663 -0.00477276 0.00827152 -0.00494317 10
2927 209 H 42.5282 13.2124 10.6285 0.0113512 0.00418318 -0.00608631 10
2928 210 H 40.8949 13.5158 10.2483 0.00404775 -0.00590664 0.0063456 10
2929 211 H 41.3513 16.0625 10.0988 -0.00765416 -3.06027e-05 0.0037316 10
2930 212 H 42.9925 15.7159 10.5231 -0.00204121 -0.00627268 0.00645018 10
2931 213 H 42.3562 16.1575 8.00572 0.00214125 0.00322045 0.00678678 10
2932 214 H 43.4827 14.8601 8.3243 -0.00138708 -0.000219666 -0.00348627 10
2933 215 H 41.8398 13.2054 7.95006 -0.00100897 -0.00106979 -0.0107507 10
2934 216 H 40.4288 14.281 8.01232 -3.29671e-05 -0.0101097 0.00387036 10
2935 217 H 41.0705 13.4569 5.7464 0.00677185 -0.00485072 0.0137931 10
2936 218 H 40.7395 15.1663 5.9473 0.00430659 0.0053285 0.000451076 10
2937 219 H 43.184 15.6406 5.63708 0.0170698 -0.00418153 -0.0147504 10
2938 220 H 43.5634 13.9075 5.95429 0.000424731 -0.00856666 -0.00769256 10
2939 221 H 43.6847 14.4834 3.51479 0.000298932 0.00127761 0.00259119 10
2940 222 H 42.7042 13.0999 3.93948 0.00458173 -0.00242571 0.0210031 10
2941 223 H 40.6335 14.4481 3.6902 0.00437006 0.01242 0.017935 10
2942 224 H 41.6498 15.8282 3.13039 -0.00285974 0.00136772 -0.00494821 10
2943 225 H 42.5437 14.1693 1.28511 -0.00380463 0.0107516 0.001495 10
2944 226 H 41.4131 12.968 1.87953 -0.00337304 -0.0055557 -0.0056522 10
2945 227 H 40.8186 14.5103 1.15505 0.00387892 0.00333806 0.00110098 10
2946 228 H 30.5121 11.3495 33.1764 0.000504968 -0.00499899 -0.0068346 10
2947 229 H 30.2864 9.55143 33.2305 -0.00886763 0.00284627 0.00758543 10
2948 230 H 31.7489 9.77273 35.3661 0.0129414 0.00572073 -0.0215443 10
2949 231 H 31.3703 11.4651 35.4302 -0.00644978 0.00584879 -0.00727111 10
2950 232 H 28.9897 11.0357 35.9168 -0.00773245 -0.00550703 0.0230635 10
2951 233 H 29.1563 9.3244 35.6577 -0.0150902 0.00463613 0.00912641 10
2952 234 H 30.8699 9.04989 37.3299 0.00289605 0.00639199 -0.00418669 10
2953 235 H 31.0433 10.7926 37.5877 0.00551513 -0.00314541 -0.00804002 10
2954 236 H 28.9403 10.9571 38.7819 -0.000972919 -0.000180782 0.000910424 10
2955 237 H 28.6429 9.18951 38.5506 0.0134688 -0.0122617 -0.00505061 10
2956 238 H 30.8593 8.66889 39.6852 -0.00873392 -0.00256145 0.00154696 10
2957 239 H 31.1409 10.3707 39.9255 0.00412275 -0.00327461 0.00681127 10
2958 240 H 28.6505 9.02346 40.9795 0.00459766 -0.00185796 -0.00845096 10
2959 241 H 30.173 8.76811 41.7726 -0.00422357 0.00389467 0.00446339 10
2960 242 H 29.9969 11.6458 41.3753 0.00344887 0.00740857 0.00769479 10
2961 243 H 28.3848 11.194 41.6554 0.00794632 0.0132811 -0.00968355 10
2962 244 H 30.7681 10.3098 43.4596 -0.000905707 0.0050807 0.0133703 10
2963 245 H 29.8297 11.7768 43.775 -0.011342 -0.00508339 0.0152694 10
2964 246 H 27.7522 10.4922 43.8034 0.00093828 0.00342418 0.000219195 10
2965 247 H 28.6386 8.99536 43.8404 5.29653e-05 -0.00267107 0.010614 10
2966 248 H 28.9208 11.2887 45.914 0.0161516 -0.000316931 0.0090614 10
2967 249 H 27.9463 9.82856 46.188 0.00590931 -0.0112907 0.00164814 10
2968 250 H 30.2327 9.63756 47.2888 0.00185908 -0.0141786 -0.000377548 10
2969 251 H 30.0943 8.45702 46.0085 -0.00829476 -0.00124744 0.000782017 10
2970 252 H 30.9953 9.97603 45.7497 0.000565716 0.0129137 0.00998503 10
2971 253 H 38.1799 13.8707 33.6146 -0.000341696 0.000915647 -0.0116817 10
2972 254 H 36.6362 14.7024 33.2967 0.00846871 0.00361262 -0.00141537 10
2973 255 H 35.9321 14.1871 35.6594 -0.00266961 -0.00687311 -0.00132531 10
2974 256 H 37.3809 13.274 35.9386 -0.0018946 0.00256896 0.00709886 10
2975 257 H 38.7732 15.3523 35.814 0.00228889 0.00937569 0.00194176 10
2976 258 H 37.3753 16.2729 35.3097 -0.0103565 0.00186075 0.00290344 10
2977 259 H 37.9693 16.6045 37.7797 -0.00272703 0.00316975 -0.00186038 10
2978 260 H 36.2488 16.1694 37.4752 -0.00416979 -0.0113043 0.00373879 10
2979 261 H 36.8458 13.7423 37.9162 0.00417109 -0.00937107 0.0143079 10
2980 262 H 38.3846 14.3301 38.4989 -0.00518195 -0.00457569 0.00535339 10
2981 263 H 35.6854 15.275 39.5922 0.00675168 0.020919 -0.000684961 10
2982 264 H 36.5046 13.873 40.2271 -0.00322631 -0.000876663 -0.000723225 10
2983 265 H 38.4923 15.3012 40.8467 -0.00676489 -0.00928694 0.011587 10
2984 266 H 37.6177 16.6831 40.1918 -0.0201964 0.00565138 0.00146985 10
2985 267 H 37.2974 16.6747 42.5594 0.00382044 -0.00936891 0.0073908 10
2986 268 H 35.7619 15.9785 41.9225 0.00090284 0.00446788 4.6401e-05 10
2987 269 H 36.4206 13.775 42.4858 0.0117107 -0.0105202 -0.00212377 10
2988 270 H 38.0834 14.1997 42.8675 -0.00348114 -0.0103617 0.0131907 10
2989 271 H 35.6294 15.1875 44.3416 -0.00497212 -0.00550086 -0.0108407 10
2990 272 H 36.4377 13.6349 44.6621 0.00115481 -0.00460154 -0.00842876 10
2991 273 H 38.5794 14.9426 45.1797 0.00563685 0.00687127 0.00100328 10
2992 274 H 37.7549 16.4693 44.8879 -0.0101211 -0.00279508 -0.00936049 10
2993 275 H 37.1559 14.294 46.9787 0.00976356 0.0009283 -0.00256441 10
2994 276 H 38.0229 15.8131 47.3232 -0.000583489 0.015428 -0.0124902 10
2995 277 H 36.2837 15.8717 46.9533 -0.00321893 -0.00968902 -0.000957967 10
2996 278 H 36.6737 5.523 33.8559 -0.0104531 0.00575933 -0.00952972 10
2997 279 H 38.1354 6.35467 33.981 0.00388835 -0.000216641 0.0156704 10
2998 280 H 35.86 6.24819 36.0195 -0.00955683 0.00500787 -0.00909767 10
2999 281 H 37.1629 7.49066 36.216 0.0148006 -0.00576672 0.00480006 10
3000 282 H 38.8379 5.53367 36.3742 0.0030373 -0.0018195 0.00281651 10
3001 283 H 37.56 4.41437 36.043 -0.0132249 0.00387977 -0.00962178 10
3002 284 H 37.9783 4.40591 38.3845 0.000581648 0.00477291 0.00174148 10
3003 285 H 36.3785 5.21716 38.1772 -0.00208216 0.013239 0.00344162 10
3004 286 H 37.6775 7.46695 38.2656 -0.00785428 -0.00808383 -0.0054571 10
3005 287 H 39.0592 6.60356 38.6712 0.00207334 -0.00996236 -0.00950119 10
3006 288 H 36.4027 6.85489 40.202 -0.00465082 0.00706552 0.0063144 10
3007 289 H 37.9219 7.66983 40.5584 0.0104365 -0.00897482 0.00728014 10
3008 290 H 38.8435 5.60186 41.3651 -0.00209725 0.00705448 -0.00623664 10
3009 291 H 37.6018 4.59193 40.5669 0.0153256 -0.000155229 0.00316595 10
3010 292 H 37.0207 4.49868 42.8318 -0.0032836 0.00175423 -0.000956396 10
3011 293 H 35.9515 5.74646 42.2184 -0.00068756 -0.00233626 -0.00315869 10
3012 294 H 37.443 7.46158 43.3069 -0.000514681 0.00548229 0.00394171 10
3013 295 H 38.6486 6.24492 43.7353 -0.00112253 0.00430404 -0.00425541 10
3014 296 H 37.1488 5.03455 45.2107 -0.0143585 -0.0017601 0.00980072 10
3015 297 H 35.7527 5.942 44.6344 -0.00260773 0.000177301 0.00654278 10
3016 298 H 36.3176 6.65136 46.8907 -0.00769798 0.00897963 0.000277956 10
3017 299 H 36.4981 7.93885 45.7816 0.0127991 -1.08076e-06 -0.00887545 10
3018 300 H 38.9536 7.68236 45.7384 -0.00505169 -0.00217828 -0.00144413 10
3019 301 H 38.9007 6.15938 46.5887 -0.0020592 -0.000786678 -0.0034028 10
3020 302 H 38.4192 7.6419 47.4607 -0.00521008 0.00914068 0.00115812 10
3021 1 C 41.0346 6.6042 31.083 0.00342893 -0.00117999 -0.00232843 11
3022 2 C 41.3116 6.45616 29.7101 0.00354612 0.0025549 0.00344526 11
3023 3 C 40.8307 5.34645 29.0393 0.00112823 0.00089291 0.000491664 11
3024 4 C 40.1705 4.3445 29.7474 -0.00207725 -0.00414207 0.000643641 11
3025 5 C 39.9612 4.43828 31.1641 0.00106211 -9.55739e-05 -0.00679555 11
3026 6 C 40.3938 5.60267 31.8501 -0.00435072 0.000499105 0.00299863 11
3027 7 C 35.4907 3.31557 30.2904 0.00114261 -2.35336e-05 0.0049436 11
3028 8 C 35.8046 3.22394 28.9395 0.000350284 0.000356354 0.00347266 11
3029 9 C 37.1026 3.07235 28.4624 0.00205834 0.00304776 0.000856805 11
3030 10 C 38.1245 3.15396 29.4353 -0.00189909 -0.000581953 -1.45694e-05 11
3031 11 C 37.8759 3.25835 30.8259 -0.00038507 -0.00250364 -0.000783303 11
3032 12 C 36.5114 3.41077 31.2537 -0.00226328 -0.00846171 0.000229216 11
3033 13 C 41.0171 -0.187127 31.5548 0.000461852 -0.00148356 8.86585e-05 11
3034 14 C 41.335 -0.212592 30.1848 -0.00288872 0.00367344 -5.38018e-05 11
3035 15 C 40.9202 0.832922 29.3646 -0.00222698 0.000710068 -0.000251032 11
3036 16 C 40.1774 1.87634 29.9468 -0.00263309 0.000236181 0.00288898 11
3037 17 C 39.6305 3.05553 29.1293 -0.00564435 -0.00115539 -0.00155031 11
3038 18 O 40.0758 0.867082 33.5156 0.000157091 0.00135688 0.000701967 11
3039 19 O 36.2105 3.58513 32.6179 0.00385704 0.00492669 -0.000540646 11
3040 20 O 40.2056 5.81405 33.2377 -0.00705942 -0.00439407 0.00174091 11
3041 21 C 40.2931 0.893989 32.1314 0.00078799 -0.00198495 -0.00229595 11
3042 22 C 39.9763 2.92461 27.7114 -0.00241838 -0.00154059 0.000526403 11
3043 23 C 40.5185 2.94386 26.6273 -0.000951797 -0.00458336 0.00419851 11
3044 24 C 41.2656 3.07799 25.4344 -0.000827515 -0.00152243 -0.00272775 11
3045 25 C 40.9275 4.04627 24.4521 -0.00370438 -0.00147261 0.000824347 11
3046 26 C 41.6746 4.17878 23.2824 -0.004761 0.00147682 -0.00383318 11
3047 27 C 42.8403 3.43179 23.0776 0.00143676 -0.00227693 -0.00410766 11
3048 28 C 43.2071 2.44647 24.0536 -0.000535347 0.00276722 -0.00234976 11
3049 29 C 42.3993 2.2781 25.1978 0.00452462 0.000372808 -0.00197986 11
3050 30 C 43.5983 3.50385 21.8643 0.000383871 -0.00201799 -0.00130841 11
3051 31 C 44.1236 3.57457 20.7546 0.00212864 0.00261478 -0.00201939 11
3052 32 C 42.8497 -0.03643 18.8897 -0.00126068 -0.00120367 0.003596 11
3053 33 C 43.1341 -0.195661 17.5223 -0.0028829 0.00355781 -0.000578893 11
3054 34 C 43.7227 0.823065 16.7634 0.00047633 -0.000729069 -0.000505869 11
3055 35 C 44.043 2.03856 17.3972 0.000323185 -0.00647386 -0.00130512 11
3056 36 C 43.8642 2.18052 18.7713 0.000919419 -0.000592495 0.0025572 11
3057 37 C 43.2371 1.13992 19.5176 -0.00154595 0.00113622 0.00550753 11
3058 38 C 44.437 3.48355 19.3326 0.000302981 -0.00753182 0.00870994 11
3059 39 C 48.3374 3.6028 19.1914 -0.0030641 0.000609723 -0.00574886 11
3060 40 C 48.4737 3.59705 17.787 -0.00416014 -0.00233161 0.00104329 11
3061 41 C 47.3678 3.43548 16.9504 -0.00368303 -0.00321966 -0.000588501 11
3062 42 C 46.1023 3.31103 17.5056 0.00145248 0.00269294 -0.00135478 11
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3064 44 C 47.0491 3.5823 19.7526 0.00169961 0.000247682 0.00365721 11
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3067 47 C 43.4759 5.42252 16.2137 -0.00438358 -0.00307024 -0.000407484 11
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3110 90 C 42.0655 6.10417 4.22894 -0.00211189 -0.00473368 0.000301659 11
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3112 92 C 42.6299 6.50811 1.74319 -0.00111876 -0.0047991 0.00183543 11
3113 93 C 42.2904 5.10657 1.18 0.000527367 0.00190135 0.00168821 11
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3118 98 C 33.8462 3.5732 37.8639 -0.00193242 -0.000953784 0.00375093 11
3119 99 C 33.1367 4.02079 39.1448 -0.00105799 0.00157676 -0.00226178 11
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3121 101 C 33.2336 4.07052 41.6711 -0.00028586 0.00291123 0.000610472 11
3122 102 C 33.9293 3.53842 42.9184 -0.000708204 0.00145717 -0.000666708 11
3123 103 C 33.2111 4.00896 44.2038 0.000400207 -0.00347002 -0.000623962 11
3124 104 C 33.8099 3.4577 45.479 -0.000842007 0.000372824 -0.00197566 11
3125 105 C 33.1722 4.06237 46.7138 -0.00205868 0.00612608 0.000119408 11
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3127 107 C 40.6117 7.21588 35.3798 -0.000347135 0.00145366 0.00292408 11
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3129 109 C 41.2129 8.59444 37.5456 -0.00369397 -0.000863831 0.00116774 11
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3131 111 C 42.2364 7.94782 39.8236 0.00239395 -5.24891e-05 0.00141289 11
3132 112 C 40.901 7.93577 40.5818 -0.00313848 -0.00510162 -0.000533794 11
3133 113 C 41.0298 7.81086 42.1115 -0.000937922 -0.00332747 -0.00598622 11
3134 114 C 41.7866 8.97722 42.7867 -0.00228868 -0.000543548 0.000468999 11
3135 115 C 41.6027 9.06668 44.3092 0.000266288 -0.000255665 0.00162348 11
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3137 117 C 41.7785 8.0833 46.6596 0.00215514 0.00221347 0.00273263 11
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3140 120 C 40.7121 -1.00442 36.8494 -0.000205199 -0.0023794 0.00401647 11
3141 121 C 40.9078 -0.329129 38.2326 0.000759562 -0.00653202 0.00164923 11
3142 122 C 41.3683 -1.26526 39.3809 0.00130173 -0.00633357 -0.00377111 11
3143 123 C 41.4869 -0.391962 40.6841 -0.00301149 -0.00229681 -0.00576001 11
3144 124 C 41.8418 -1.20298 41.9574 0.000957306 -0.00376203 -0.00273084 11
3145 125 C 41.6208 -0.400411 43.2926 0.00138735 0.00396173 0.000200211 11
3146 126 C 41.8931 -1.21968 44.5918 -0.00192603 0.00100819 -0.00252603 11
3147 127 C 41.0008 -0.701284 45.7593 0.00106909 -0.000178395 -0.00219265 11
3148 128 C 41.4759 -1.30033 47.098 0.00264204 -0.00335501 0.00306162 11
3149 129 C 40.7621 -0.604691 48.239 -0.00164014 0.000363155 -0.00027424 11
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3211 191 H 45.4283 -0.00829991 8.1966 0.00985772 0.00220798 -0.00301967 11
3212 192 H 47.0761 -1.03089 6.66638 -0.00348163 0.00815302 0.000203252 11
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3214 194 H 44.1857 -1.03385 5.53347 0.000405445 -0.000374622 0.0050562 11
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3217 197 H 46.8688 -0.241406 4.28376 0.00053092 -0.00642364 0.0150121 11
3218 198 H 46.7383 -2.58357 3.6691 -0.000331282 0.00562169 0.0146604 11
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3221 201 H 46.1043 -2.54585 1.26307 -0.00722636 -0.00488413 0.0122221 11
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3224 204 H 42.0345 6.09741 13.8787 0.00288056 0.00746213 0.00735912 11
3225 205 H 44.1592 5.60909 12.502 0.00135109 0.00222741 0.00982151 11
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3227 207 H 41.6809 4.35102 11.2572 0.00134671 -0.00447813 -0.00759353 11
3228 208 H 41.9217 6.09982 11.4165 -0.00707116 -0.00684754 0.0110555 11
3229 209 H 43.8318 6.26514 10.1182 -0.00477696 -0.00112051 0.0170758 11
3230 210 H 44.0927 4.53499 10.0443 0.00493191 0.000877247 0.0148276 11
3231 211 H 43.2428 4.68202 8.04519 -0.00601673 -0.00413552 0.00196059 11
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3233 213 H 41.2365 6.83723 8.80303 -0.00259376 0.00453832 -0.00182205 11
3234 214 H 42.7903 7.18112 8.1215 -0.00264134 -0.00215483 0.0254074 11
3235 215 H 40.7757 5.43083 6.59991 -0.0069259 0.00463812 0.0103376 11
3236 216 H 40.8675 7.17614 6.44173 -0.0133458 -0.00108043 0.0157363 11
3237 217 H 43.1322 7.13473 5.85662 0.0144543 -0.00426925 -0.011423 11
3238 218 H 43.2792 5.39699 5.90912 -0.00547303 -0.0124923 -0.0162536 11
3239 219 H 41.725 5.06476 4.14456 -0.00117108 -0.00467265 -0.0041329 11
3240 220 H 41.2065 6.7676 4.06944 0.00653351 0.00624431 -0.000545878 11
3241 221 H 43.5492 7.435 3.44268 0.0147779 -0.00598296 -0.0072462 11
3242 222 H 43.9959 5.72824 3.28761 0.00184254 -0.00236887 0.000523205 11
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3244 224 H 43.3172 7.01899 1.05755 -0.00783833 -0.00172622 -0.00262572 11
3245 225 H 41.9024 5.08618 0.154108 0.00300834 0.00230108 0.000743318 11
3246 226 H 43.1323 4.40324 1.17874 -0.00535263 -0.0051644 0.00750398 11
3247 227 H 41.5123 4.65978 1.81106 -0.0131525 0.00581712 -0.0124151 11
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3249 229 H 34.7954 2.21909 33.1948 -0.0135205 -0.000927165 0.00540085 11
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3251 231 H 34.3838 4.98237 34.4455 0.00393559 -0.00149801 -0.00722185 11
3252 232 H 32.7714 2.95071 34.59 -0.00440773 -0.00282603 0.00486849 11
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3256 236 H 34.1734 2.54104 38.0399 0.0185326 0.00528635 0.00225339 11
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3261 241 H 34.8699 4.66278 40.342 0.00114178 -0.00231386 -0.0143546 11
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3263 243 H 32.2427 3.61015 41.5734 0.00420232 -0.00465769 -0.00917022 11
3264 244 H 33.9003 2.44302 42.8668 0.00212995 0.000521191 0.0177303 11
3265 245 H 34.9856 3.8333 42.9478 0.00391858 -0.0158911 0.00736809 11
3266 246 H 33.3101 5.10091 44.2393 -0.00613929 -0.0023762 -0.015975 11
3267 247 H 32.1303 3.82194 44.1855 -0.00048263 0.00111077 0.00413219 11
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3269 249 H 34.8869 3.66237 45.439 -3.97098e-05 -0.00152087 0.0104835 11
3270 250 H 33.5291 3.4576 47.5566 -0.00432608 -0.00851539 -0.00938528 11
3271 251 H 33.4649 5.1144 46.8187 0.00823175 0.00379173 -0.00515723 11
3272 252 H 32.0775 3.99074 46.7112 -0.000486726 -0.0168481 -0.021235 11
3273 253 H 41.8548 6.9958 33.6903 0.00181537 0.00936992 -0.00613002 11
3274 254 H 40.333 7.86044 33.3564 -0.00573495 0.000322496 0.00994547 11
3275 255 H 39.525 7.33162 35.4754 0.000290585 -0.000877925 0.0127236 11
3276 256 H 40.9306 6.33633 35.9526 0.00834258 0.00225707 -0.000694431 11
3277 257 H 42.3401 8.4193 35.6695 -0.00431344 0.0128126 -0.00383784 11
3278 258 H 40.9219 9.36808 35.4832 0.00674073 0.00903809 -0.000579207 11
3279 259 H 41.3936 9.63617 37.8381 -0.00506253 0.00104987 -0.00478484 11
3280 260 H 40.1736 8.45675 37.8686 -0.000567405 -0.0103993 0.00712404 11
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3282 262 H 43.088 7.61881 37.8649 0.00437608 0.00404427 0.00466686 11
3283 263 H 42.8411 7.17241 40.3099 0.00961007 0.0113577 0.0106369 11
3284 264 H 42.7619 8.89968 39.9695 0.0158439 -0.00626402 -0.00645371 11
3285 265 H 40.2916 8.79783 40.2836 -0.00609529 -0.0105496 -0.0103025 11
3286 266 H 40.3226 7.05955 40.2639 -0.0112923 -0.00340893 0.00960901 11
3287 267 H 40.0423 7.77364 42.5878 0.00297559 -0.0130963 0.00139008 11
3288 268 H 41.5349 6.88074 42.3998 0.00332721 0.000171969 -0.00213664 11
3289 269 H 42.8443 8.90177 42.5056 0.00146523 0.012358 0.0111745 11
3290 270 H 41.4294 9.90736 42.3277 -0.0135277 -0.00647506 -0.00282225 11
3291 271 H 42.178 9.90948 44.7119 0.000816613 -0.000298962 0.000923019 11
3292 272 H 40.5597 9.33516 44.5177 0.00581816 0.0140555 0.0110418 11
3293 273 H 41.2996 7.00546 44.8009 -0.000951827 -0.00116344 -0.000416824 11
3294 274 H 42.9803 7.53207 44.939 -0.00208699 0.00109156 -0.00875825 11
3295 275 H 40.8194 8.52442 46.9578 0.0011491 -0.00199734 0.00575205 11
3296 276 H 41.8324 7.13021 47.2001 0.0131223 0.00543874 0.00731885 11
3297 277 H 42.5927 8.7119 47.0409 -0.0082349 0.0140798 0.00533324 11
3298 278 H 39.3221 -0.973458 34.1258 0.00353007 0.00599427 -0.0157635 11
3299 279 H 41.0743 -0.913713 34.1666 0.000967299 0.00597763 0.00125952 11
3300 280 H 39.3101 0.438543 36.1691 0.00963404 0.016214 0.00379785 11
3301 281 H 40.9872 0.923275 35.9478 0.000634505 -0.00258411 -0.00339249 11
3302 282 H 41.6232 -1.49231 36.4817 0.0088441 0.0164501 0.00149906 11
3303 283 H 39.9404 -1.78229 36.9022 -0.010827 0.00906376 0.0171998 11
3304 284 H 39.9475 0.127295 38.5025 0.0103478 0.00837733 0.0105261 11
3305 285 H 41.623 0.498161 38.1457 0.00888562 -0.0135618 0.00159615 11
3306 286 H 42.3171 -1.7223 39.0738 0.00744605 0.00832149 -0.00666318 11
3307 287 H 40.5963 -2.03379 39.5104 0.0120534 -0.0152554 0.00713473 11
3308 288 H 40.551 0.131318 40.9157 -0.00102935 -0.00213533 0.00192982 11
3309 289 H 42.2588 0.370247 40.521 -0.0031974 -0.00219467 -0.00616132 11
3310 290 H 42.8931 -1.51205 41.9053 -0.00250727 -0.016333 0.00199309 11
3311 291 H 41.2451 -2.12148 41.8961 0.0001451 -0.00429419 0.0137801 11
3312 292 H 40.5745 -0.0709856 43.2896 -0.000344849 -0.00152065 0.000299126 11
3313 293 H 42.2733 0.480885 43.3249 0.0100136 -0.0027201 0.00881255 11
3314 294 H 42.9615 -1.14592 44.8297 2.90262e-05 -0.000668282 -0.0107667 11
3315 295 H 41.6788 -2.2934 44.5238 0.00277797 0.000632857 -0.0110033 11
3316 296 H 39.9697 -1.02793 45.5758 0.00791483 -0.0209798 -0.00383984 11
3317 297 H 41.0466 0.392006 45.8369 -0.00608506 0.00010482 -0.00202939 11
3318 298 H 42.5647 -1.20194 47.1887 0.00503762 -0.00397351 -0.0248396 11
3319 299 H 41.1496 -2.34609 47.1554 0.00582945 -0.00482729 -0.00590074 11
3320 300 H 41.0296 -0.94243 49.2479 -3.91072e-05 -0.00529438 -0.00260947 11
3321 301 H 39.6715 -0.707587 48.1799 -0.000556203 -0.000941089 -0.0174864 11
3322 302 H 40.9782 0.470811 48.2439 0.0045419 -0.000889435 0.00165297 11
3323 1 C 44.9632 13.4186 31.1294 0.00419999 0.00545916 -0.000652227 12
3324 2 C 45.016 13.3292 29.7287 -0.000425865 -0.00223069 0.00119517 12
3325 3 C 44.4316 12.2493 29.096 -0.00296598 -0.000129107 -0.00159481 12
3326 4 C 43.8947 11.209 29.8405 0.000239745 0.00280654 0.000598121 12
3327 5 C 43.8147 11.2943 31.2468 0.0020749 -0.00073612 -0.00143779 12
3328 6 C 44.3423 12.4276 31.9269 -0.00150204 -0.00106027 -0.00168107 12
3329 7 C 39.3303 10.1518 30.9227 -3.48964e-05 -0.00126217 0.0016235 12
3330 8 C 39.4122 9.97941 29.536 -0.00366336 -0.00119166 0.000516496 12
3331 9 C 40.6757 9.91903 28.9397 -0.000452732 0.000403861 0.00161277 12
3332 10 C 41.8387 9.98757 29.7041 -0.0013736 -0.00532319 0.00411228 12
3333 11 C 41.7343 10.0851 31.1012 0.00104132 -0.00132344 -0.00201464 12
3334 12 C 40.4703 10.1453 31.7342 -3.93879e-05 0.00344961 -0.00228365 12
3335 13 C 44.9471 6.68747 31.4621 0.00535055 -0.00560978 0.0034302 12
3336 14 C 45.0894 6.65798 30.0966 0.00463279 0.000255054 0.00491931 12
3337 15 C 44.5885 7.75453 29.3583 0.00595482 -0.000336939 6.16268e-05 12
3338 16 C 43.8866 8.79261 29.9775 0.00290387 -0.00103603 -0.00240777 12
3339 17 C 43.2507 9.95844 29.2344 -0.00096566 -0.000208821 -6.71024e-05 12
3340 18 O 44.2478 7.61167 33.5436 0.00142006 0.000163132 0.00129649 12
3341 19 O 40.3898 10.2597 33.1191 -0.00134237 0.000534096 -0.00239885 12
3342 20 O 44.2218 12.6343 33.2927 -0.00151703 0.00109421 -0.00263765 12
3343 21 C 44.3274 7.72505 32.1669 0.000515045 0.000800268 0.00196612 12
3344 22 C 43.5114 9.85225 27.7832 -2.02861e-05 -0.00262686 -0.00625468 12
3345 23 C 43.9485 9.79743 26.6524 -0.00285518 0.0021004 -0.00236793 12
3346 24 C 44.7781 9.85751 25.5206 -0.00114145 0.000728894 0.00643155 12
3347 25 C 44.6476 10.9457 24.6569 0.00174822 0.00338422 -0.000702119 12
3348 26 C 45.5616 11.1187 23.6205 0.0049502 -0.00401696 -0.00258753 12
3349 27 C 46.5914 10.1747 23.4065 0.000657191 -0.00104091 -0.00164111 12
3350 28 C 46.6872 9.07055 24.2497 -0.000271425 -0.000911413 -0.00106853 12
3351 29 C 45.8033 8.90611 25.3223 0.0010362 -0.00394135 -0.000926957 12
3352 30 C 47.4257 10.2289 22.2478 0.00126104 -0.00104444 -0.000317577 12
3353 31 C 47.9362 10.2481 21.1395 0.000675926 -0.00436898 0.000886923 12
3354 32 C 46.4064 6.9249 18.771 -0.00362195 0.0040224 -0.00177481 12
3355 33 C 46.6971 6.87406 17.3708 -0.0053305 -0.000423034 -0.00207727 12
3356 34 C 47.3919 7.92468 16.7686 -0.00075673 -0.0042103 -0.000565527 12
3357 35 C 47.7624 9.01028 17.5722 -0.00358093 -0.00450507 0.00348762 12
3358 36 C 47.5843 9.0161 18.9635 -0.00115323 -0.00266205 0.00319931 12
3359 37 C 46.8558 7.99421 19.5552 0.000323174 0.00296714 -0.000454601 12
3360 38 C 48.2007 10.2457 19.679 0.00367213 0.00328081 0.000254169 12
3361 39 C 52.102 10.3473 19.4749 0.00461072 0.00130544 0.000121337 12
3362 40 C 52.2606 10.2423 18.064 0.00452122 -0.00264772 0.000305243 12
3363 41 C 51.1201 10.1819 17.2652 -0.000607111 0.00245272 -0.00151785 12
3364 42 C 49.8428 10.1965 17.8654 -0.000823482 -0.00325436 0.00156403 12
3365 43 C 49.678 10.2782 19.2536 -0.0022979 0.00228338 -0.00227021 12
3366 44 C 50.8036 10.3693 20.0592 -7.76719e-05 0.00159775 0.000961626 12
3367 45 C 46.4511 13.6185 18.6962 0.00165631 0.00285628 0.00207101 12
3368 46 C 46.7217 13.5841 17.3155 0.000855384 0.00163298 -0.00259928 12
3369 47 C 47.4489 12.554 16.7257 0.00366805 0.000708378 0.00437632 12
3370 48 C 47.8529 11.4917 17.532 0.00362349 0.000396726 0.00424845 12
3371 49 C 48.5586 10.2243 17.0643 0.00384573 0.00106067 0.00131051 12
3372 50 C 47.5995 11.4876 18.9247 -0.000370866 -0.00190495 -0.000743123 12
3373 51 C 46.9278 12.5644 19.5128 0.00238622 -0.00200809 -0.000688594 12
3374 52 O 51.1852 10.2766 15.9136 0.000676856 -0.00191713 0.00181764 12
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3376 54 O 47.62 12.5726 15.3748 0.00422575 -0.00243828 0.000659053 12
3377 55 C 43.0619 10.0997 31.8525 -0.000911253 -0.00723 -0.00225921 12
3378 56 C 43.8057 8.80754 31.3903 -0.00413763 0.00163076 -0.00239462 12
3379 57 C 52.2511 9.62964 15.2155 0.00113761 -0.00053934 -0.00201437 12
3380 58 C 51.7551 9.32701 13.769 -0.000626701 -0.00261407 -0.000790079 12
3381 59 C 50.4112 9.91878 13.4123 -0.00239031 -0.00132213 0.00253567 12
3382 60 C 49.857 9.58111 11.998 -0.00362769 0.000317544 -0.00215947 12
3383 61 C 50.6223 10.128 10.7813 0.00576039 0.00395152 0.00377192 12
3384 62 C 49.9303 9.65859 9.47391 -6.86254e-05 0.00232911 0.00256483 12
3385 63 C 50.7559 10.0022 8.19075 0.0025089 0.00230721 0.00305517 12
3386 64 C 49.9638 9.54665 6.91139 -0.00467816 0.00322557 0.000470677 12
3387 65 C 50.7384 9.82652 5.60671 -0.000934223 -0.00146233 -0.00307506 12
3388 66 C 49.9152 9.54409 4.33679 -0.0023221 -0.00148719 0.00220939 12
3389 67 C 50.6754 9.63772 2.98199 -0.00190301 0.00334561 -0.00426493 12
3390 68 C 49.7489 9.56333 1.74122 0.000857459 0.00086076 -0.0044908 12
3391 69 F 45.4407 12.2419 22.8659 0.00194678 0.0014721 -0.00255099 12
3392 70 C 47.0645 7.11253 14.5126 0.00123157 -0.00134043 -0.00309993 12
3393 71 C 47.6182 7.53617 13.1209 -0.001059 -0.000513418 0.000703143 12
3394 72 C 46.9384 6.75548 11.9746 0.000234085 -0.000543311 0.00313497 12
3395 73 C 47.378 7.3902 10.6265 -0.00438217 -0.000915068 0.00387246 12
3396 74 C 46.3872 7.10817 9.49804 0.00078278 -0.00173921 0.000169984 12
3397 75 C 46.9443 7.40828 8.0783 0.00396435 -0.00132567 -0.000312523 12
3398 76 C 45.7662 7.21436 7.05869 0.00235361 0.00472384 -0.00105724 12
3399 77 C 46.1707 7.28071 5.55731 -0.0037934 0.00095496 -9.93422e-05 12
3400 78 C 46.3986 8.71531 5.02465 0.00474848 0.000202664 0.00193333 12
3401 79 C 46.2651 8.84477 3.47845 0.00117001 -0.00325427 -0.00275029 12
3402 80 C 46.8511 7.64942 2.65252 -0.00275474 0.0011457 0.00687427 12
3403 81 C 46.6001 7.90725 1.14354 -0.00400772 0.00178305 0.00135001 12
3404 82 C 48.8354 13.0067 14.703 -0.00344516 -0.0034231 -0.00178558 12
3405 83 C 48.5508 13.0546 13.1734 -0.00085282 0.00394483 -0.00235953 12
3406 84 C 49.7002 13.6138 12.2956 -0.00185521 0.00167084 0.00462095 12
3407 85 C 49.2714 13.5425 10.8221 -0.000961822 -0.00151743 0.00506464 12
3408 86 C 50.3919 14.0902 9.86749 -5.49733e-05 0.000316354 -0.00135935 12
3409 87 C 50.0593 14.5812 8.43106 0.00113922 -0.00206272 -0.00154215 12
3410 88 C 50.2178 13.5778 7.29681 -0.000474556 -0.000147004 -0.00183468 12
3411 89 C 50.1806 14.302 5.9406 -0.00173296 -0.00423182 -0.000581798 12
3412 90 C 50.4199 13.3957 4.7227 -0.000638694 -0.00223437 0.000152475 12
3413 91 C 50.3409 14.1345 3.37223 -0.000169511 0.00172603 -0.00130201 12
3414 92 C 50.5038 13.1801 2.15349 0.00638465 -0.00122066 -0.00141735 12
3415 93 C 50.1932 13.8728 0.822589 -0.00406511 0.000750182 0.00348588 12
3416 94 C 39.3309 10.911 33.8408 0.0043654 -0.00117276 -0.00178005 12
3417 95 C 38.2203 9.93496 34.18 -0.0048621 0.00380041 -0.00339786 12
3418 96 C 37.4011 10.3214 35.4349 -0.000719686 0.00382671 0.00275527 12
3419 97 C 38.173 10.188 36.7529 0.00227276 -0.00154977 0.000702249 12
3420 98 C 37.5556 11.0088 37.8777 -0.00365777 0.0013383 0.000696811 12
3421 99 C 37.7439 10.3363 39.2246 0.00217486 -0.00457681 -0.000323887 12
3422 100 C 37.4535 11.2437 40.4589 0.00465025 -0.00234849 0.00162858 12
3423 101 C 37.5622 10.3412 41.7359 0.00210919 -0.0036822 0.00196739 12
3424 102 C 37.3887 11.1979 42.9628 -0.00132558 -0.00160128 0.0021826 12
3425 103 C 37.4791 10.4073 44.2907 0.000837018 -0.00440325 -0.00454456 12
3426 104 C 37.4806 11.2757 45.574 0.00383498 -0.000103806 -0.00211921 12
3427 105 C 37.7932 10.5459 46.8715 0.000669725 -0.0061252 0.00617902 12
3428 106 C 45.0459 13.6283 33.9789 0.00233969 0.00260259 0.000479431 12
3429 107 C 44.6859 13.7336 35.47 0.00346409 -0.00127446 -0.00229001 12
3430 108 C 45.7445 14.592 36.1468 0.00272614 0.00195803 0.0019653 12
3431 109 C 46.0437 14.2593 37.6213 0.00385392 -0.0035655 0.00564496 12
3432 110 C 45.1088 14.8066 38.6441 0.0010632 0.000599428 -0.000782986 12
3433 111 C 45.5092 14.4576 40.067 0.00155657 0.00168433 -0.00239803 12
3434 112 C 44.6074 15.1063 41.1195 0.000293176 0.0018606 0.00287972 12
3435 113 C 45.2186 15.2722 42.5309 0.00153818 0.00455033 0.0031555 12
3436 114 C 45.3545 13.9538 43.3018 -0.00270355 0.000607311 0.000109101 12
3437 115 C 44.938 13.9563 44.7836 0.00163271 0.00154122 -0.00092759 12
3438 116 C 45.9809 14.5053 45.8029 0.00162633 0.00153287 0.000390235 12
3439 117 C 46.2152 16.0174 45.6502 -0.0010107 0.00178375 0.00253956 12
3440 118 C 45.1432 6.75992 34.2818 -0.000125255 0.00451717 -0.00321914 12
3441 119 C 44.7505 6.70325 35.7585 0.000281891 -0.00126927 -0.00107706 12
3442 120 C 45.2595 5.41552 36.4768 0.00219837 -0.00096036 -0.000246798 12
3443 121 C 45.2857 5.61678 37.9772 -0.00130312 0.00091286 0.00311718 12
3444 122 C 45.7582 4.41942 38.8036 -0.00114139 -0.00485891 0.00165758 12
3445 123 C 46.5462 4.88543 40.0127 0.000936778 0.00289933 -0.000201484 12
3446 124 C 45.8179 5.79059 41.0288 0.000781343 -0.00138061 0.00120876 12
3447 125 C 44.7545 5.07599 41.8776 -0.000708721 0.000826021 0.00372624 12
3448 126 C 44.2672 5.9399 43.0643 -0.000116962 0.00581291 0.00188979 12
3449 127 C 45.2766 6.01212 44.1834 0.00294063 -0.000991481 0.00833846 12
3450 128 C 45.1946 4.93221 45.2933 -0.00154835 0.00285363 -0.00198434 12
3451 129 C 44.3603 5.4155 46.4859 0.00163335 -0.000711761 -0.000775313 12
3452 130 F 43.7001 11.9026 24.8365 -0.000138727 0.00193264 0.002086 12
3453 131 H 45.3897 14.321 31.5574 0.00607309 0.00214447 0.00446188 12
3454 132 H 45.4371 14.1728 29.1898 -0.00382918 -0.0122685 -0.0170746 12
3455 133 H 44.4756 12.2383 28.011 0.00177802 -0.00783148 -0.00132308 12
3456 134 H 38.3166 10.1382 31.3119 0.00380317 -0.00459136 0.0114363 12
3457 135 H 38.5337 9.77321 28.9317 0.00352918 0.00277195 -0.0112903 12
3458 136 H 40.776 9.82145 27.8627 -0.00535758 -0.00372008 0.0015377 12
3459 137 H 45.4067 5.8453 31.971 0.0105093 -0.00554772 -0.0011169 12
3460 138 H 45.6042 5.85746 29.5736 -0.0181917 -0.00536174 -0.0089651 12
3461 139 H 44.6589 7.65621 28.279 -0.00232781 -0.0255418 0.00176665 12
3462 140 H 47.4728 8.34288 24.0688 0.00698246 0.00598787 0.00266493 12
3463 141 H 45.9573 8.07882 26.0088 0.00405546 0.000120046 0.00329489 12
3464 142 H 45.7616 6.18653 19.2384 -0.00518407 0.00264016 -0.00610958 12
3465 143 H 46.3475 5.9915 16.8433 -0.0189661 -0.00121208 0.00820958 12
3466 144 H 46.601 7.99775 20.6109 -0.0139248 0.00338148 -0.00388363 12
3467 145 H 53.0201 10.5131 20.0308 0.00317611 -0.00233054 0.00354539 12
3468 146 H 53.2468 10.1747 17.6143 0.00604053 0.00551914 0.00244799 12
3469 147 H 50.7311 10.5595 21.1259 -0.00197911 -0.00506676 0.00200866 12
3470 148 H 45.9128 14.4279 19.1804 -0.00553789 0.000550895 -0.00209917 12
3471 149 H 46.2596 14.3735 16.7301 -0.00547754 -0.00120871 -0.00145806 12
3472 150 H 48.6954 10.2334 15.9759 0.00831219 0.00522928 0.00190661 12
3473 151 H 46.6774 12.5631 20.5695 0.00449545 -0.00286162 -0.000192515 12
3474 152 H 42.9382 10.1201 32.9423 -0.00684256 -0.0212071 -0.00265165 12
3475 153 H 53.1102 10.3084 15.2831 0.00336959 -0.00390284 0.00353803 12
3476 154 H 52.5075 8.70763 15.7517 0.00635791 0.00266619 0.00101199 12
3477 155 H 51.7045 8.23849 13.6425 -0.00643575 -0.0027524 0.00278961 12
3478 156 H 52.5218 9.68123 13.0689 -0.0175124 0.0220468 -0.00677137 12
3479 157 H 50.4945 11.0104 13.481 0.00376681 -0.00172594 0.00155156 12
3480 158 H 49.6052 9.52135 14.0416 -0.00411771 -0.0176234 -0.00986638 12
3481 159 H 48.8125 9.9074 11.9211 -0.00391572 0.000584216 0.00291735 12
3482 160 H 49.8444 8.4956 11.8402 0.00516387 -0.00110044 0.00697889 12
3483 161 H 51.6289 9.69276 10.7566 0.00303158 -0.00215484 -0.000846244 12
3484 162 H 50.6384 11.2238 10.828 -0.0223132 0.00516622 -0.0137256 12
3485 163 H 48.9611 10.1588 9.35586 -0.00319065 -0.00259527 0.00749178 12
3486 164 H 49.815 8.56773 9.46159 -0.00396504 0.00276424 0.00078959 12
3487 165 H 51.7122 9.46521 8.21365 -0.000453532 -0.00337381 -0.00605294 12
3488 166 H 50.9865 11.0746 8.18164 -0.00451279 0.00387901 0.0100917 12
3489 167 H 48.9874 10.0417 6.84098 -0.00658209 -0.00236894 -0.0124269 12
3490 168 H 49.7908 8.4681 7.01252 -4.11207e-05 0.00310738 0.00725392 12
3491 169 H 51.6293 9.18727 5.57509 0.00490634 0.00588725 0.0134763 12
3492 170 H 51.0284 10.8802 5.70191 0.00698039 -0.00417672 0.00291218 12
3493 171 H 49.1686 10.3442 4.26069 0.00689837 0.0073448 0.00439194 12
3494 172 H 49.3727 8.59691 4.4464 0.0130386 -0.00848902 0.0176267 12
3495 173 H 51.398 8.81313 2.94547 0.00252344 0.00702325 0.000124991 12
3496 174 H 51.299 10.5382 2.92116 0.00307316 0.000785555 0.00884327 12
3497 175 H 48.8445 10.18 1.81291 -0.00590449 -0.00943127 -0.00135466 12
3498 176 H 49.4666 8.53104 1.50022 -0.00232642 -0.00414868 0.0208274 12
3499 177 H 50.2647 9.92378 0.842653 0.00299953 0.0108927 0.00077249 12
3500 178 H 47.2974 6.05889 14.7101 0.000487817 -0.00183893 -0.00488013 12
3501 179 H 45.9765 7.24773 14.5493 0.00165146 0.00401442 -0.0101871 12
3502 180 H 47.4255 8.61003 13.0065 -0.00792118 -0.00134929 0.00439502 12
3503 181 H 48.7036 7.40593 13.0296 -0.00396577 -0.011699 -0.0181699 12
3504 182 H 47.2124 5.69394 12.0133 0.00126091 2.32049e-05 0.0114267 12
3505 183 H 45.8434 6.80117 12.0215 0.000389063 0.0143925 -0.00755611 12
3506 184 H 47.504 8.47446 10.7357 0.0144532 -0.00319336 0.00504386 12
3507 185 H 48.3699 7.05211 10.3019 -0.00340126 0.00208918 0.00372393 12
3508 186 H 46.1024 6.05148 9.57346 -0.00965226 0.00167038 0.00851381 12
3509 187 H 45.4742 7.70564 9.6115 -0.000156723 -0.000818519 -0.0120344 12
3510 188 H 47.294 8.44353 7.9816 -0.0226018 0.00804833 0.00360203 12
3511 189 H 47.7543 6.70934 7.83571 -0.00323461 -0.013062 0.00941721 12
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3513 191 H 44.9367 7.90259 7.26255 -0.00293538 -0.00543117 0.0117842 12
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3520 198 H 47.9309 7.66037 2.84597 -0.00420751 0.00920079 0.0146286 12
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3526 204 H 49.6345 12.268 14.8413 -0.00104164 5.614e-05 0.00281983 12
3527 205 H 48.2816 12.0449 12.8393 -0.00170679 0.00548547 -0.00632716 12
3528 206 H 47.6921 13.7022 12.9572 0.00734507 0.0175732 0.00592656 12
3529 207 H 49.9299 14.6678 12.4948 -0.0139781 0.00222607 0.0155992 12
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3535 213 H 49.0458 15.0004 8.45357 -0.00678849 -0.0202754 -0.0204113 12
3536 214 H 50.7627 15.4069 8.26708 0.00665396 -0.00321465 0.0160903 12
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3538 216 H 49.3867 12.8651 7.36653 0.00328848 -0.00304016 0.0134496 12
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3541 219 H 51.4365 13.0018 4.84385 0.0101944 0.021563 -0.0133628 12
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3543 221 H 49.3275 14.5404 3.2642 -0.00462146 -0.00531495 0.0139949 12
3544 222 H 51.1079 14.917 3.31862 0.0044789 -0.00223116 0.00733433 12
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3546 224 H 49.7451 12.3964 2.26992 0.00624209 0.000434604 0.00885105 12
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3551 229 H 38.9398 11.7828 33.3019 -0.00593364 -8.55309e-05 0.00743447 12
3552 230 H 37.5629 9.87372 33.3039 -0.00658296 0.00560802 -0.00223099 12
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3556 234 H 38.2964 9.1444 37.0676 -0.00188748 -0.00424617 -0.0066709 12
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3564 242 H 36.7912 9.56206 41.6916 0.00207378 -0.002727 -0.0145923 12
3565 243 H 38.5249 9.81533 41.7249 0.000647711 -0.00639254 0.00371949 12
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3568 246 H 36.6786 9.65981 44.353 -0.00973879 0.00756088 0.00281008 12
3569 247 H 38.3776 9.77796 44.2987 0.00726064 0.00491777 0.00603273 12
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3611 289 H 46.9754 4.01784 40.529 0.000274068 0.00939856 0.0112759 12
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3618 296 H 45.0908 6.96518 44.6938 0.0100981 0.00304311 0.00337362 12
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3626 2 C 1.86622 20.2671 29.3605 0.000476854 0.00102329 -0.000198629 13
3627 3 C 1.38196 19.1894 28.6542 -0.00320433 0.000227124 -0.0050278 13
3628 4 C 0.720217 18.1153 29.3627 0.000162387 0.000128389 0.00120201 13
3629 5 C 0.594121 18.1667 30.7737 -0.0038651 -0.00183725 3.981e-05 13
3630 6 C 1.05213 19.3371 31.4838 -0.000990577 0.00361536 0.00194513 13
3631 7 C -3.87464 16.7837 30.5436 -0.000130672 -0.00304142 -0.00139468 13
3632 8 C -3.81295 16.6992 29.1541 -0.000513067 -0.00480584 -0.000224592 13
3633 9 C -2.56397 16.768 28.4826 -0.000359016 0.00178103 0.00401903 13
3634 10 C -1.39091 16.8675 29.2597 -0.00249184 0.000532698 -0.00540635 13
3635 11 C -1.46694 16.9185 30.7028 9.45502e-05 -0.00145445 0.000692754 13
3636 12 C -2.72785 16.9127 31.3547 -0.00234205 -0.000219604 0.00170239 13
3637 13 C 1.77006 13.4854 30.8112 0.00632825 0.00481144 -0.00028604 13
3638 14 C 1.99149 13.6019 29.4177 -0.00139006 0.00449486 0.000440282 13
3639 15 C 1.39965 14.6524 28.7095 -0.000150442 -0.000843605 0.00104858 13
3640 16 C 0.710317 15.683 29.3952 -0.00559084 0.0040916 0.00391924 13
3641 17 C 0.0594471 16.8782 28.6929 -0.000295291 -0.000320859 -0.00273924 13
3642 18 O 0.971638 14.4122 32.9022 0.000401751 -0.000279319 0.000513828 13
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3644 20 O 0.981976 19.4882 32.8669 -0.000251515 -0.00252433 -0.0014708 13
3645 21 C 1.14559 14.5628 31.5216 -0.0023801 -0.00112357 -0.00122929 13
3646 22 C 0.262416 16.8545 27.2271 -5.29275e-06 -0.00155089 5.158e-05 13
3647 23 C 0.682465 16.8758 26.0979 0.00527658 -0.000287766 0.0013563 13
3648 24 C 1.50231 16.9741 24.9196 0.00212813 -0.000593695 0.00315155 13
3649 25 C 2.10074 15.7966 24.4332 0.00269049 -0.00192623 -0.00490769 13
3650 26 C 2.99606 15.9091 23.353 -0.00183118 -0.00263027 -0.00366741 13
3651 27 C 3.42608 17.1673 22.8744 0.000700662 -0.00339577 -0.000928612 13
3652 28 C 2.8318 18.3171 23.4112 0.00360366 0.00244967 0.000960577 13
3653 29 C 1.8637 18.2373 24.4603 0.00124796 0.00116795 -0.000369362 13
3654 30 C 4.1986 17.2665 21.6706 -0.00190453 -0.00343651 0.00406862 13
3655 31 C 4.66728 17.2672 20.5628 0.000489974 -0.00154536 -0.000784129 13
3656 32 C 3.55209 13.69 18.4552 -0.00365435 0.00442639 -0.000250498 13
3657 33 C 3.85434 13.6062 17.0959 0.00432839 0.0020632 -0.00118058 13
3658 34 C 4.40657 14.7044 16.3835 -0.000473525 0.0011645 -0.00193895 13
3659 35 C 4.67671 15.8743 17.0898 0.00251467 0.00082154 0.000121369 13
3660 36 C 4.50867 15.8824 18.5059 -0.000435208 0.00147325 0.000985807 13
3661 37 C 3.91547 14.8191 19.171 0.00279565 -0.00184967 -0.000953392 13
3662 38 C 4.99064 17.1695 19.1444 0.0021359 0.0035108 0.00340234 13
3663 39 C 8.89693 17.1976 19.1101 -0.0017918 0.00192019 -0.000651379 13
3664 40 C 9.08032 17.2007 17.7341 0.0010459 -0.0018821 0.00233338 13
3665 41 C 8.02545 17.2097 16.8383 0.000227666 0.000646841 0.00194515 13
3666 42 C 6.71906 17.1982 17.3394 0.000131349 -0.00285928 0.00275017 13
3667 43 C 6.49003 17.2246 18.744 -0.0041233 0.000595156 0.00191145 13
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3671 47 C 4.07749 19.2257 16.0571 0.000461652 -0.00258721 2.79683e-05 13
3672 48 C 4.55751 18.253 16.9498 0.00187357 -0.00159757 -0.00348786 13
3673 49 C 5.44661 17.094 16.5323 0.00122166 0.00184526 -0.00152327 13
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3692 68 C 6.7404 16.4434 1.73885 0.00288196 -0.00175753 -0.00233471 13
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3702 78 C 7.22402 11.0959 4.8081 -0.00129903 -0.00217331 -0.000662229 13
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3705 81 C 7.0916 11.0801 0.880885 -0.00543964 -0.0011636 0.000394845 13
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3707 83 C 4.26776 18.1726 12.5411 0.00373025 0.00181862 0.00195649 13
3708 84 C 3.39894 17.6071 11.4047 -0.000824002 0.00292488 -0.000418225 13
3709 85 C 2.48771 18.7165 10.8638 -0.000464586 0.00199598 -0.00083735 13
3710 86 C 2.94108 19.327 9.53208 -0.00165703 0.00273906 0.000310174 13
3711 87 C 2.9332 18.345 8.34749 -0.000702551 -0.00294012 0.00241453 13
3712 88 C 2.96679 19.0374 6.97742 -0.000605096 -0.00024852 -0.00202981 13
3713 89 C 3.09819 18.0418 5.81487 -0.00611338 0.000309729 0.000570485 13
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3715 91 C 3.02103 17.6458 3.29895 -0.00402167 -0.00053701 -0.00139205 13
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3717 93 C 3.66575 19.1037 1.33742 0.000376928 0.00123699 -5.71861e-05 13
3718 94 C -3.83642 16.4071 33.5441 0.00222195 0.00320583 -0.00166398 13
3719 95 C -5.02449 17.3768 33.8269 -0.000774645 0.000308341 -0.00335389 13
3720 96 C -5.80835 17.103 35.1169 0.00612947 -0.000508953 0.00345578 13
3721 97 C -4.96395 17.0397 36.4476 -0.00138039 2.47316e-05 0.00035792 13
3722 98 C -5.9285 17.0343 37.6422 -0.00610405 9.0594e-05 0.00267262 13
3723 99 C -5.2322 17.0031 38.974 -0.00044801 0.000345179 -0.000773425 13
3724 100 C -6.21628 16.5982 40.1023 0.00538093 -0.00394074 -0.00013322 13
3725 101 C -5.6352 16.7459 41.5032 -2.97461e-05 0.00535565 0.00328997 13
3726 102 C -6.66801 16.4262 42.5828 0.00279438 -0.00073748 -0.000688568 13
3727 103 C -6.33594 16.8454 44.0406 0.000166821 0.00108445 -0.00168995 13
3728 104 C -4.8756 16.9586 44.5033 -0.00148615 -0.00122779 0.000104712 13
3729 105 C -4.79181 17.2868 46.0215 0.000177958 -0.000825288 -0.000190813 13
3730 106 C 1.79119 20.4809 33.4975 0.000582744 -0.000807572 -0.00147167 13
3731 107 C 1.66439 20.5907 35.0191 0.000418752 0.000630042 -0.000249968 13
3732 108 C 2.18082 21.9327 35.6199 0.00180995 -0.00602432 0.000955848 13
3733 109 C 1.75358 22.0809 37.0656 -0.00123142 0.00149201 -0.0034035 13
3734 110 C 2.65296 21.4539 38.1278 0.00121144 0.000733328 0.000150796 13
3735 111 C 2.07099 21.8402 39.511 -0.00349655 0.00260266 -0.00272982 13
3736 112 C 2.84928 21.3612 40.7625 0.000343654 -0.00022185 -0.00132962 13
3737 113 C 2.2513 21.869 42.103 -0.00334112 -0.00207292 0.00289 13
3738 114 C 2.93862 21.2588 43.3206 -0.00277349 -0.0045765 0.00477198 13
3739 115 C 2.33519 21.7973 44.5885 -0.00380466 -0.000710515 -0.00239477 13
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3912 288 H 1.33999 13.2197 39.4365 0.000216044 0.00268069 -0.00382197 13
3913 289 H 3.09519 13.3806 39.287 0.00568864 0.00171622 0.00312996 13
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3928 2 C 5.97467 26.8596 29.9773 0.00265247 0.00223246 0.000244377 14
3929 3 C 5.49702 25.7734 29.2638 -0.000391101 -0.00267819 -0.00209551 14
3930 4 C 4.7492 24.7803 29.9267 -0.00315776 0.000294986 -0.000733912 14
3931 5 C 4.5028 24.8325 31.3516 -0.00266449 -0.000244789 0.000593713 14
3932 6 C 5.02044 25.9515 32.0573 0.000346858 0.00283984 -0.00453788 14
3933 7 C 0.133269 24.1092 30.6027 0.00298111 -0.00288493 0.000133302 14
3934 8 C 0.365381 24.0185 29.2173 -0.00222014 9.88288e-05 0.000336832 14
3935 9 C 1.6498 23.8069 28.7372 -0.00712334 -0.00196094 0.00259036 14
3936 10 C 2.65655 23.6624 29.6373 -0.00251605 0.00348213 0.00179981 14
3937 11 C 2.45456 23.7564 31.0619 -0.0016829 -0.000841807 0.000971469 14
3938 12 C 1.13479 23.9108 31.5422 -0.00401112 0.00269738 0.00235266 14
3939 13 C 5.67112 20.2684 31.5195 0.000641461 0.00278753 -0.00767661 14
3940 14 C 5.87324 20.233 30.1432 0.00117562 0.00234775 -0.000546906 14
3941 15 C 5.27502 21.1982 29.3565 -0.00163869 -0.000254024 -0.000375769 14
3942 16 C 4.6422 22.3145 29.9769 -0.000988658 -0.000256847 -0.00542564 14
3943 17 C 4.11509 23.5472 29.2455 0.000901739 -0.00188909 0.00170708 14
3944 18 O 4.89621 21.3702 33.5728 0.00416921 -0.00296279 -0.00212099 14
3945 19 O 0.752364 24.0411 32.8617 -0.000491676 -0.00014722 0.000868774 14
3946 20 O 4.87469 26.0574 33.4253 -0.00201667 -0.00125837 0.00227753 14
3947 21 C 5.0011 21.3399 32.1678 -0.0016362 0.000928358 -0.0045664 14
3948 22 C 4.46187 23.4756 27.8372 0.00514691 -0.00809547 0.00163109 14
3949 23 C 4.9311 23.4238 26.7374 -0.00193974 0.00315846 -0.00345284 14
3950 24 C 5.69441 23.4149 25.5553 0.00339007 0.00434309 -0.000994035 14
3951 25 C 6.93623 22.7305 25.5152 -0.00175552 -0.00666743 -8.48951e-06 14
3952 26 C 7.77617 22.9005 24.4434 0.00109898 0.00149078 -0.000746504 14
3953 27 C 7.30175 23.633 23.3169 -0.00296392 0.0024979 -0.00105563 14
3954 28 C 6.01715 24.2438 23.3103 -0.00254771 -0.000145937 0.000196949 14
3955 29 C 5.22969 24.1541 24.424 -0.000821306 -0.00118535 0.00207812 14
3956 30 C 8.04171 23.7747 22.1021 0.00341183 0.00576266 0.00105563 14
3957 31 C 8.52961 23.847 21.0108 -0.000525934 -0.0013128 -0.00104975 14
3958 32 C 6.99151 20.664 18.6721 -0.000360405 0.00211856 0.00185589 14
3959 33 C 7.19238 20.7227 17.2647 -8.86146e-05 -0.000787541 0.000736104 14
3960 34 C 7.97346 21.7449 16.675 -0.00228967 0.00454272 0.00210859 14
3961 35 C 8.45897 22.7781 17.453 0.00106686 0.004085 0.00103631 14
3962 36 C 8.26111 22.7225 18.8299 0.000533336 0.000322472 0.00245894 14
3963 37 C 7.52345 21.6677 19.4455 -0.000918491 -0.00673131 -0.00247037 14
3964 38 C 8.91451 23.8516 19.5901 0.00173034 -0.00413763 0.000549771 14
3965 39 C 12.8262 23.8863 19.4088 0.000246918 0.0029063 0.00318693 14
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4229 1 C 9.54303 20.1963 31.0073 -0.00309727 0.00194354 0.000938628 15
4230 2 C 9.66026 20.1197 29.6245 -0.00410205 0.00164353 0.00069707 15
4231 3 C 9.23199 18.9565 29.0041 0.00281831 -0.00337332 0.00193478 15
4232 4 C 8.64431 17.9361 29.7194 -0.00397894 -0.00519135 0.00120071 15
4233 5 C 8.45442 18.0375 31.1323 0.0030566 0.00256871 -0.00147217 15
4234 6 C 8.99816 19.1667 31.8039 0.00165463 -0.00572219 0.00273371 15
4235 7 C 4.0553 16.9112 30.2593 0.000607156 0.000195593 0.000121253 15
4236 8 C 4.33974 16.8104 28.8881 0.000675013 0.00195144 -0.0041078 15
4237 9 C 5.63788 16.7142 28.4634 0.000888061 0.000166241 0.00256668 15
4238 10 C 6.67952 16.6681 29.4264 -0.00343146 -0.000723989 -0.00173587 15
4239 11 C 6.42562 16.7548 30.829 2.72724e-05 -0.00218962 0.00141767 15
4240 12 C 5.07923 16.8685 31.2403 -0.00310219 0.00570077 -1.51312e-05 15
4241 13 C 9.743 13.4428 31.4619 -0.00223778 -0.00130906 0.000613135 15
4242 14 C 9.93478 13.3868 30.0833 -0.00352713 -0.00144698 -0.000689089 15
4243 15 C 9.36069 14.3884 29.2902 -0.000574018 0.00248133 0.000384051 15
4244 16 C 8.75032 15.5069 29.8927 0.00244211 -6.50513e-05 -0.00147916 15
4245 17 C 8.13406 16.6402 29.0532 -0.00136865 -0.00206374 -0.00336755 15
4246 18 O 8.86838 14.3938 33.4826 0.00129837 -0.00304834 0.00270557 15
4247 19 O 4.72487 16.9828 32.571 -0.00102125 -0.000668829 0.00231252 15
4248 20 O 9.07748 19.3325 33.2043 0.00219462 -0.00168516 0.00147574 15
4249 21 C 9.03534 14.4695 32.109 0.00103527 -4.16739e-05 -0.000256567 15
4250 22 C 8.48233 16.5494 27.6152 -0.00422391 0.00194277 -0.000118385 15
4251 23 C 9.04188 16.5699 26.542 0.00216353 -0.00225601 0.00123724 15
4252 24 C 9.79428 16.6582 25.3703 0.00148972 0.00316657 0.00363872 15
4253 25 C 10.3105 15.4797 24.757 0.00235794 0.00164355 0.00245322 15
4254 26 C 11.2441 15.6138 23.6928 -0.00549156 -0.000872452 0.00209216 15
4255 27 C 11.6329 16.9033 23.2253 0.0026223 0.000225783 -0.000373691 15
4256 28 C 11.0538 18.049 23.8363 -0.00172935 0.00107668 -0.000328187 15
4257 29 C 10.1573 17.931 24.901 0.00455041 -0.00182148 -0.00336538 15
4258 30 C 12.3294 17.023 21.9931 0.000181236 0.00159582 0.00020304 15
4259 31 C 12.6916 17.0997 20.8352 0.000637095 -0.00206527 -0.00524406 15
4260 32 C 11.2733 13.7855 18.49 -0.0021757 -0.00130628 -0.00145607 15
4261 33 C 11.5077 13.7479 17.1297 0.000151306 0.00342027 -5.93695e-05 15
4262 34 C 12.1606 14.7989 16.4932 -0.00212428 -0.00700084 -0.0025767 15
4263 35 C 12.4715 15.9466 17.2163 -0.000880859 -0.00129546 0.00694603 15
4264 36 C 12.2963 15.9212 18.645 -0.0017518 -0.00243752 0.000349819 15
4265 37 C 11.6993 14.853 19.2508 0.00330416 0.00564511 -0.00546389 15
4266 38 C 12.896 17.1119 19.3699 9.4096e-05 -0.0043529 0.00119933 15
4267 39 C 16.7732 17.1968 19.0344 -0.00091352 0.00215403 -0.00242784 15
4268 40 C 16.8488 17.3184 17.6377 -0.00177067 -0.00119136 -0.00381084 15
4269 41 C 15.6994 17.3757 16.8079 -0.00121593 0.00176251 0.00252519 15
4270 42 C 14.4482 17.2828 17.4545 -0.00583201 -0.00326036 -0.00441131 15
4271 43 C 14.3488 17.1964 18.8483 -0.0014314 -0.00249612 -0.00699352 15
4272 44 C 15.5163 17.131 19.636 -0.00242908 0.000105972 0.00141617 15
4273 45 C 10.9041 20.3603 18.7454 -0.000449161 -0.00184773 -0.00491159 15
4274 46 C 11.0392 20.4455 17.3277 0.00258945 -0.00425976 -0.00222871 15
4275 47 C 11.7383 19.4345 16.6431 -0.0044315 -0.0021903 -0.00316885 15
4276 48 C 12.2529 18.34 17.3712 -0.00225876 0.00266185 -0.00322319 15
4277 49 C 13.1119 17.2409 16.7421 0.001063 0.00600415 0.000214035 15
4278 50 C 12.1331 18.305 18.7882 -0.00302776 -0.0032229 -0.00299647 15
4279 51 C 11.4925 19.3298 19.4712 -0.00188748 0.00044677 -0.00275674 15
4280 52 O 15.821 17.6544 15.4513 -0.00147657 0.0019014 0.00176982 15
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4282 54 O 11.9618 19.5756 15.282 -0.00244936 -0.000618814 -0.00187147 15
4283 55 C 7.70178 16.8099 31.7137 0.00157042 0.000809007 0.00106532 15
4284 56 C 8.51158 15.5305 31.2948 -0.00364123 -0.00564149 -0.0020984 15
4285 57 C 15.4968 16.734 14.3826 -0.00178805 -0.00266696 -0.00285222 15
4286 58 C 15.6283 17.4153 12.9836 0.00160399 0.000840069 0.00283209 15
4287 59 C 14.9458 16.6092 11.851 -0.00282728 -0.00184757 0.00192351 15
4288 60 C 15.33 16.9998 10.4252 -0.0031307 0.00110027 -0.00280027 15
4289 61 C 14.5692 16.0605 9.3985 -0.00265148 -0.000121951 -0.000515475 15
4290 62 C 15.3451 15.8468 8.06559 0.00202203 0.000649674 0.00210184 15
4291 63 C 15.6418 17.1745 7.32057 0.00367453 0.0031772 0.0018583 15
4292 64 C 15.9549 17.0353 5.8057 0.00154026 -0.00184422 0.000673829 15
4293 65 C 14.7073 17.0111 4.90618 -0.00240723 -0.00238013 -0.00226049 15
4294 66 C 14.9761 16.7525 3.3835 -0.00051136 0.00368639 -0.0017678 15
4295 67 C 15.4848 17.9787 2.6354 0.00333878 8.95062e-05 -0.000243487 15
4296 68 C 15.6869 17.6273 1.15834 -0.00257393 0.00101756 -0.00434604 15
4297 69 F 11.6659 14.4451 23.1423 -0.00032492 0.00195853 -8.41274e-05 15
4298 70 C 13.0321 13.4223 14.6955 0.0011393 0.000666177 0.00171776 15
4299 71 C 13.892 13.6841 13.469 -0.00514354 -7.41949e-05 -0.00137855 15
4300 72 C 14.2207 12.4136 12.66 -0.000936097 -0.00154914 0.00286731 15
4301 73 C 14.4848 12.7259 11.1886 0.00315418 -0.00179522 0.00427477 15
4302 74 C 14.9341 11.4851 10.3936 0.00182407 -0.00559302 -0.00110213 15
4303 75 C 15.6022 11.7917 9.04329 0.0026866 0.00165815 -0.00058497 15
4304 76 C 14.6466 12.2405 7.91345 0.00191128 -0.00510778 -0.00200027 15
4305 77 C 15.4998 12.5296 6.65024 0.000138121 -0.00231185 0.000291139 15
4306 78 C 14.6436 12.7882 5.39301 0.00220367 -0.00391217 0.00347933 15
4307 79 C 15.5621 13.2367 4.23057 -0.00469551 4.39548e-05 -0.000618728 15
4308 80 C 14.8356 13.4131 2.87858 0.00142284 0.00223754 0.00234279 15
4309 81 C 14.4509 12.0863 2.21595 0.000699942 -0.00195266 -0.00465594 15
4310 82 C 11.1583 18.9409 14.3205 0.00121166 0.000696761 0.00151601 15
4311 83 C 11.8502 19.0177 12.962 0.00348411 0.00108372 -0.00151224 15
4312 84 C 10.9886 18.5055 11.7786 -0.00127041 -0.00172103 -0.00521213 15
4313 85 C 11.709 18.6606 10.4416 0.00351951 -0.00259273 -0.00425984 15
4314 86 C 10.8516 18.3111 9.25269 -0.00436723 -0.00109813 -0.00438232 15
4315 87 C 11.6241 18.5656 7.97429 0.00170386 0.00095094 0.000287097 15
4316 88 C 10.5894 18.4866 6.85765 0.00095796 0.000921493 0.00321776 15
4317 89 C 11.2657 18.5079 5.46788 0.00093203 0.000442365 -0.00663085 15
4318 90 C 10.1506 18.5965 4.39659 0.000441692 -0.00100974 0.000369006 15
4319 91 C 10.5087 18.1058 2.98299 -0.00194006 -0.00145872 -0.00220514 15
4320 92 C 11.5575 18.9776 2.33229 -0.000128899 0.00529853 -0.00069491 15
4321 93 C 11.9048 18.5452 0.918112 0.00150057 0.00719294 0.000817855 15
4322 94 C 3.31179 17.0423 32.9726 -0.000243086 -0.00306388 -0.00257142 15
4323 95 C 3.13547 16.9263 34.479 -0.00384209 0.00438677 -0.00186825 15
4324 96 C 1.70047 17.0145 34.9318 -0.00322245 -0.00281803 -0.00225238 15
4325 97 C 1.43301 16.596 36.3606 -0.000402767 -0.00160327 0.000389912 15
4326 98 C 2.18765 17.3304 37.4603 -0.002749 -0.00121635 -0.00156368 15
4327 99 C 1.88819 16.6111 38.7814 0.00205512 -0.00245249 -0.00296931 15
4328 100 C 2.33098 17.3974 40.0577 0.001837 0.0022428 0.00618881 15
4329 101 C 2.15352 16.4739 41.2899 0.000786372 -0.00156887 -0.00251172 15
4330 102 C 2.28404 17.2995 42.5861 -0.00105089 0.000986492 0.00807442 15
4331 103 C 2.35472 16.374 43.8206 0.00034831 0.000403679 0.00414147 15
4332 104 C 2.59647 17.1321 45.1643 0.000676506 -0.00455211 -0.00504541 15
4333 105 C 2.8512 16.1476 46.3219 -0.00236614 0.000243843 -0.00149757 15
4334 106 C 9.57316 20.5532 33.8382 0.00165617 0.00512636 -0.000377181 15
4335 107 C 9.7383 20.5203 35.3348 0.000964635 -0.000553799 0.00679845 15
4336 108 C 10.2233 21.8828 35.8638 -0.00248737 -0.00203631 -0.00110277 15
4337 109 C 9.92667 22.199 37.3606 -0.00137509 -0.00147564 -0.00133096 15
4338 110 C 10.4501 21.2895 38.4914 -0.00460675 0.001404 0.00175552 15
4339 111 C 10.5205 22.0231 39.8345 0.00113356 0.00307249 -0.00496422 15
4340 112 C 9.1848 22.0087 40.6093 0.00126055 -0.00210326 0.000753936 15
4341 113 C 8.83339 20.7929 41.5266 -0.000138126 0.00245445 -0.000132569 15
4342 114 C 9.85664 20.5054 42.632 -0.00304776 0.0033794 -0.00305673 15
4343 115 C 10.0693 21.7559 43.5206 -0.00162311 -0.000412728 0.00213969 15
4344 116 C 10.6788 21.4598 44.9269 -0.00412088 0.00161474 -0.00168856 15
4345 117 C 9.68106 20.7682 45.8929 0.00545417 0.00314553 0.00204373 15
4346 118 C 9.55642 13.3714 34.282 -0.00106433 -0.00193444 0.00155666 15
4347 119 C 8.93553 13.3545 35.7037 0.00320394 -0.00252267 0.000801378 15
4348 120 C 9.80246 12.6854 36.7655 -0.00139871 0.00300419 0.000525621 15
4349 121 C 9.21543 12.9009 38.1373 0.00527418 -0.00614199 0.00106274 15
4350 122 C 10.2589 12.63 39.2457 -0.00264035 0.00072204 -0.00339962 15
4351 123 C 9.59756 12.6493 40.6248 -0.00578378 0.00528135 0.00103829 15
4352 124 C 10.5808 12.3797 41.7869 0.0026809 -0.00343144 0.000320024 15
4353 125 C 9.78386 12.3426 43.1431 0.00180803 -0.00192043 0.00159428 15
4354 126 C 10.6978 12.0791 44.37 -0.00505653 -0.00189503 0.001705 15
4355 127 C 9.88699 12.0793 45.6943 -0.000693747 0.00300407 0.00158738 15
4356 128 C 10.5862 11.5983 46.9887 -0.000194682 -0.00175214 -0.00314956 15
4357 129 C 11.8575 12.3745 47.3085 -0.000979304 0.000624977 -1.13455e-06 15
4358 130 F 9.98902 14.2454 25.1985 -0.00148119 0.000686173 -0.000291604 15
4359 131 H 10.0234 21.0521 31.4723 0.00745964 -0.0067503 0.00609315 15
4360 132 H 10.1262 20.9447 29.0937 0.00441126 -0.00916939 -0.00857752 15
4361 133 H 9.36645 18.8833 27.9289 -0.00481676 0.00218477 0.000603726 15
4362 134 H 3.02257 17.0262 30.575 -0.0010025 -0.00350046 -0.00383502 15
4363 135 H 3.50312 16.7805 28.1963 -0.000860761 -0.012366 -0.00165054 15
4364 136 H 5.84509 16.5864 27.405 -0.00014837 -0.00951173 0.00352195 15
4365 137 H 10.2158 12.62 31.9901 0.00313682 -0.00663136 -0.0124399 15
4366 138 H 10.448 12.5399 29.6375 0.00266123 0.00216193 -0.000418016 15
4367 139 H 9.41725 14.2157 28.2195 -0.00849199 -0.0134613 0.00249622 15
4368 140 H 11.2886 19.0352 23.447 0.0156308 0.000750298 0.00930556 15
4369 141 H 9.71765 18.8361 25.3095 0.00933476 0.000702361 -0.00380599 15
4370 142 H 10.8171 12.929 18.9775 -0.00548877 0.00061261 -0.00118803 15
4371 143 H 11.2476 12.8543 16.57 0.0153145 -0.0022381 0.0019188 15
4372 144 H 11.5518 14.8066 20.3258 0.0158701 -0.00979977 -0.0044032 15
4373 145 H 17.7092 17.1702 19.5845 0.00176478 0.0172399 -0.00620798 15
4374 146 H 17.8358 17.31 17.1846 0.000722841 0.00552889 0.00150155 15
4375 147 H 15.4661 17.0329 20.7164 0.00172015 0.00906693 0.00242594 15
4376 148 H 10.3919 21.1358 19.3074 -0.00724116 -0.0168509 0.00961425 15
4377 149 H 10.6664 21.3107 16.7875 0.00134241 0.000865207 0.00683311 15
4378 150 H 13.1348 17.2998 15.647 -0.000635693 -0.00172634 -0.000244549 15
4379 151 H 11.4673 19.3753 20.556 -0.000616781 0.00376355 -0.00286325 15
4380 152 H 7.48384 16.8838 32.7863 0.00313159 0.00204337 0.0012969 15
4381 153 H 16.174 15.8727 14.4366 -0.00437181 -0.00371177 0.0129574 15
4382 154 H 14.4745 16.3551 14.5041 -0.00184733 -0.00543876 -0.0120323 15
4383 155 H 16.6908 17.4316 12.7114 0.00268421 0.00123547 0.007101 15
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4385 157 H 13.8586 16.6359 11.9947 -0.0039353 -0.0146315 -0.00404394 15
4386 158 H 15.2057 15.5537 11.9984 0.00600272 0.000322951 0.00182457 15
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4388 160 H 15.0701 18.053 10.2623 -0.0022431 -0.000419898 -0.0140342 15
4389 161 H 13.5635 16.4646 9.22942 -0.00421184 -0.000125487 0.00870459 15
4390 162 H 14.447 15.0832 9.8817 0.00044791 -0.00999427 -0.0197628 15
4391 163 H 14.7351 15.2087 7.41424 0.0131785 -0.00852006 0.000629436 15
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4393 165 H 16.4347 17.7319 7.83444 0.00849541 -0.0154609 0.0146264 15
4394 166 H 14.7079 17.7377 7.43853 -9.87124e-05 -0.00230015 -0.0017636 15
4395 167 H 16.5815 16.1596 5.59659 0.00308104 -0.00163096 0.00441812 15
4396 168 H 16.5366 17.8961 5.45356 -0.000872425 0.00409319 0.0112449 15
4397 169 H 14.1847 17.9735 4.97046 -0.00808967 -0.00609819 0.0070352 15
4398 170 H 14.0046 16.2749 5.31549 -0.000150985 -0.00604527 -0.00499517 15
4399 171 H 14.049 16.4466 2.88301 -0.00237216 -0.00482459 0.00689895 15
4400 172 H 15.6776 15.9136 3.29694 -0.0119651 -0.00697196 0.00827165 15
4401 173 H 16.401 18.3329 3.12385 0.00600099 0.0123042 -0.0141581 15
4402 174 H 14.6703 18.7114 2.69159 -0.00383124 -0.00828351 0.00553082 15
4403 175 H 16.2247 16.6845 0.999822 -0.00104337 0.000612976 0.00325988 15
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4409 181 H 14.8155 14.1877 13.7803 -0.0041591 -0.000560191 -0.0035024 15
4410 182 H 15.0662 11.8728 13.1027 -0.00891191 -0.016185 0.000218611 15
4411 183 H 13.3522 11.755 12.7835 -0.00409256 0.00602857 0.0214976 15
4412 184 H 13.604 13.1696 10.7083 0.0033388 -0.000373845 0.00524896 15
4413 185 H 15.2682 13.4896 11.1077 0.00734405 -0.00702364 -0.00450272 15
4414 186 H 15.6226 10.8814 10.9976 0.00317256 -0.00507423 -0.0021228 15
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4473 245 H 1.48124 18.0471 42.5809 0.00405777 0.00648381 0.00899897 15
4474 246 H 1.49949 15.6943 43.9205 0.00627826 -0.0049508 0.018835 15
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4476 248 H 3.50201 17.743 45.0631 0.00469467 -0.00746105 0.0132986 15
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4483 255 H 8.79184 20.3 35.8439 -0.00837104 -0.00673778 -0.0132822 15
4484 256 H 10.486 19.7754 35.6341 0.0105241 0.00708357 0.0019107 15
4485 257 H 11.2999 21.9294 35.6582 -0.0018356 0.00538012 0.00404691 15
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4487 259 H 10.3329 23.199 37.5568 0.00918903 -0.00753311 0.00767399 15
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4489 261 H 9.76314 20.4429 38.6123 -0.00336153 -0.000691477 -0.0058655 15
4490 262 H 11.4281 20.8582 38.2446 -0.000716174 0.0110653 0.000341283 15
4491 263 H 11.2584 21.521 40.4724 0.0092939 0.0098207 -0.0091272 15
4492 264 H 10.8047 23.0631 39.6319 -0.00162846 0.0061887 0.00725084 15
4493 265 H 9.13918 22.8569 41.3035 -0.0078146 -0.00288323 0.00113974 15
4494 266 H 8.3711 22.2953 39.9317 -0.00586448 0.00150822 0.0108108 15
4495 267 H 7.88118 20.9488 42.0486 -0.000630198 -0.00244576 0.000443892 15
4496 268 H 8.77615 19.8683 40.9389 0.00921156 0.00632289 -0.00714202 15
4497 269 H 9.37325 19.702 43.2015 -0.00462156 -0.00177252 -0.0116421 15
4498 270 H 10.7785 20.1225 42.177 -0.00726735 -0.00171359 -0.00734936 15
4499 271 H 10.7752 22.3911 42.9713 0.0103349 -0.00729819 0.00951512 15
4500 272 H 9.12265 22.2994 43.6295 0.00818601 0.0175345 -0.00220361 15
4501 273 H 11.6076 20.8813 44.8494 -0.00316125 0.00321834 -0.0021627 15
4502 274 H 10.9536 22.4033 45.4145 -0.00902832 0.00326178 -0.00210777 15
4503 275 H 8.76637 21.3734 45.9132 -0.00191291 -0.00759955 -0.00896804 15
4504 276 H 9.42128 19.7791 45.4957 -0.00153671 0.00131024 0.0112216 15
4505 277 H 10.0891 20.6334 46.9022 -0.0118555 0.0014388 0.00881146 15
4506 278 H 9.46276 12.3673 33.8501 -0.00366727 6.54361e-06 -0.00238877 15
4507 279 H 10.6301 13.5803 34.3655 0.00307446 -0.0192266 -0.00829647 15
4508 280 H 7.95472 12.8633 35.6938 0.00241968 -0.00118464 0.0111754 15
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4511 283 H 10.0268 11.6285 36.5756 0.00457951 0.00398506 0.00205912 15
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4513 285 H 8.76512 13.8992 38.2008 -0.00314553 -0.0104049 0.00851626 15
4514 286 H 11.0443 13.3936 39.1857 0.00530163 -0.00596972 0.0153197 15
4515 287 H 10.7714 11.6761 39.0702 -0.000343968 -3.25784e-06 0.007227 15
4516 288 H 8.8125 11.8836 40.6536 -0.00837474 0.00866708 0.0203997 15
4517 289 H 9.13171 13.6337 40.7564 -0.0145523 0.00348467 -0.0165838 15
4518 290 H 11.3462 13.1647 41.8224 0.00174075 -0.0022175 -0.00627823 15
4519 291 H 11.0504 11.4039 41.6115 -0.0052703 -0.00640566 -0.00449344 15
4520 292 H 9.03853 11.5386 43.1051 0.00744472 -0.00632924 -0.0157593 15
4521 293 H 9.28288 13.3076 43.2887 0.00921385 0.00122534 0.00627858 15
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4523 295 H 11.1953 11.1085 44.2524 0.00978205 0.00526428 0.00537168 15
4524 296 H 8.94277 11.5359 45.5657 0.00368669 -0.00747933 0.0139075 15
4525 297 H 9.56333 13.1187 45.8296 -0.0087745 0.00227875 -0.0120194 15
4526 298 H 10.7676 10.5181 46.9282 0.00664886 -0.000987639 0.00387082 15
4527 299 H 9.84454 11.7094 47.7893 -0.00802928 0.00544838 -0.0114117 15
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4531 1 C 13.6511 26.814 31.5699 0.00821883 -0.00113402 0.00236901 16
4532 2 C 13.8345 26.7618 30.1709 -0.000881951 0.000412138 0.000964292 16
4533 3 C 13.313 25.6735 29.4444 -0.000408909 -0.000995317 -0.000414064 16
4534 4 C 12.6168 24.6548 30.1381 -0.000222424 -0.00152628 8.34666e-05 16
4535 5 C 12.4986 24.6934 31.5603 -0.00445932 0.00100689 -0.00455468 16
4536 6 C 13.0105 25.7992 32.3012 -7.70188e-05 -0.00307587 -0.00322541 16
4537 7 C 7.96045 23.6247 30.8373 0.00486898 0.00439981 0.0031611 16
4538 8 C 8.17507 23.5185 29.4268 -0.000898761 0.00180502 -0.00236643 16
4539 9 C 9.48994 23.5352 28.9145 0.00216167 0.00131687 -0.000972007 16
4540 10 C 10.5408 23.5525 29.8382 -0.000697736 0.00218249 -0.00133355 16
4541 11 C 10.3643 23.5763 31.2359 0.00283864 0.00413957 0.00247013 16
4542 12 C 9.04068 23.591 31.7562 0.000401373 0.0021131 0.00107868 16
4543 13 C 13.5987 20.1082 31.5341 0.00433862 -0.00139014 0.00156691 16
4544 14 C 13.6793 20.109 30.1282 -0.00382803 -0.0011429 0.00128051 16
4545 15 C 13.0881 21.1397 29.4191 -0.00227333 0.00201492 0.000232051 16
4546 16 C 12.5147 22.1896 30.1231 -0.00471888 0.00366352 0.00312568 16
4547 17 C 11.9917 23.4599 29.4263 0.000793493 0.000564564 0.00103415 16
4548 18 O 12.9493 21.0229 33.6567 -0.00162837 -0.00592626 0.0008276 16
4549 19 O 8.73537 23.6813 33.1198 -0.00298228 0.00276464 0.00224513 16
4550 20 O 12.8106 25.8859 33.7075 0.00323407 -0.00475766 0.000671657 16
4551 21 C 12.9429 21.094 32.2647 0.00023565 -0.00373514 -0.00014027 16
4552 22 C 12.3178 23.4512 27.9678 0.000473172 0.00331615 0.00482227 16
4553 23 C 12.7888 23.4525 26.8516 0.00158197 -0.00443611 0.00291995 16
4554 24 C 13.461 23.4711 25.6039 -0.00269807 0.00188417 -0.0070508 16
4555 25 C 14.3185 22.4014 25.2734 0.00095151 -0.00310077 -0.000434015 16
4556 26 C 15.1217 22.4469 24.1317 -0.0010319 0.00190237 0.00222805 16
4557 27 C 15.0298 23.5698 23.2847 -0.000265053 0.00360204 0.000403618 16
4558 28 C 14.2233 24.672 23.61 0.0040751 -0.000915763 -0.000618904 16
4559 29 C 13.4238 24.6066 24.7768 -0.000470278 0.00308215 0.000359941 16
4560 30 C 15.7921 23.6751 22.0409 0.000662304 -0.00315904 -0.00326427 16
4561 31 C 16.3074 23.7658 20.9378 0.0011565 0.000678188 -0.000838203 16
4562 32 C 14.8814 20.5442 18.3595 -0.000483995 -0.00351176 -0.00386442 16
4563 33 C 14.9422 20.6843 16.9687 0.000927849 -0.00208691 0.00402789 16
4564 34 C 15.5973 21.8214 16.4382 0.00265383 -5.22233e-05 0.00177332 16
4565 35 C 16.1175 22.806 17.312 -0.00310551 -0.00781103 0.0054651 16
4566 36 C 15.957 22.6885 18.6988 -0.0012198 -0.000622 0.00255907 16
4567 37 C 15.3662 21.5146 19.2277 -0.00111866 0.00264764 -0.00240123 16
4568 38 C 16.6201 23.8201 19.4961 0.000140735 -0.000485415 -0.00571558 16
4569 39 C 20.5167 24.0256 19.2836 -0.00232328 -0.000956248 0.00387901 16
4570 40 C 20.6034 24.0633 17.8689 -0.00115379 -0.00147192 -0.00284698 16
4571 41 C 19.4634 23.9 17.0707 0.00179419 0.000652863 0.000100961 16
4572 42 C 18.211 23.8862 17.6634 -0.000559685 0.00340641 -0.000490781 16
4573 43 C 18.1029 23.8625 19.0633 0.000947943 0.000803686 -0.0010067 16
4574 44 C 19.2503 23.8777 19.8566 0.00416711 0.00101258 0.00310018 16
4575 45 C 15.3132 27.3921 19.0286 -0.00338276 0.00134077 -0.000244381 16
4576 46 C 15.4902 27.534 17.6411 0.0033021 0.00252211 0.00141481 16
4577 47 C 15.9933 26.4728 16.8781 0.000749205 -0.000365998 0.00234 16
4578 48 C 16.2707 25.245 17.4723 -0.000405972 -0.0036207 -0.00165059 16
4579 49 C 16.9082 23.998 16.8738 -0.004741 0.00225565 -0.00146884 16
4580 50 C 16.0984 25.1407 18.9031 0.00350155 0.0028189 0.00256835 16
4581 51 C 15.6361 26.2146 19.6601 0.00350424 -2.51102e-05 -0.00154774 16
4582 52 O 19.6001 23.9464 15.7147 -0.000476844 -0.00174555 -0.00100589 16
4583 53 O 15.6325 22.0244 15.066 -0.00373247 -0.000895059 -0.00348311 16
4584 54 O 16.2696 26.6977 15.5355 -0.00253465 -0.000332742 0.00366838 16
4585 55 C 11.6988 23.4984 32.0647 0.000988173 0.000627242 0.0024428 16
4586 56 C 12.4009 22.2058 31.5388 0.000602605 0.000454952 0.00223345 16
4587 57 C 19.393 22.7496 14.9303 -0.00158171 -0.0014531 0.00385244 16
4588 58 C 18.5544 23.0492 13.6157 -0.000699929 -0.0023673 0.000181164 16
4589 59 C 19.3252 23.0531 12.251 -0.000801665 -0.00267846 -0.00115189 16
4590 60 C 18.3524 23.2036 11.0684 0.00055751 -0.00100444 -0.00114213 16
4591 61 C 19.0923 23.562 9.76549 0.00185038 0.00177905 -0.00560236 16
4592 62 C 18.2816 23.3253 8.48545 0.00144069 -0.00248284 0.000471091 16
4593 63 C 19.0709 23.6838 7.22251 0.00195148 0.00485614 -0.000808746 16
4594 64 C 18.214 23.5269 5.943 -0.000216658 -0.00237625 -0.000563977 16
4595 65 C 18.8358 24.0289 4.63662 -0.00181113 0.00323802 0.000718856 16
4596 66 C 17.9044 23.8095 3.43904 -0.000243175 0.00180731 0.000146494 16
4597 67 C 18.4802 24.2989 2.06484 -0.000578549 0.00161903 0.00474249 16
4598 68 C 19.5172 23.3568 1.43835 7.23053e-05 -0.00324375 0.00295852 16
4599 69 F 15.9255 21.3773 23.7875 0.00108847 -0.00295241 -0.000556514 16
4600 70 C 15.0498 21.167 14.0923 -0.00247527 -0.00139172 -0.00232207 16
4601 71 C 15.0708 21.849 12.7109 -0.00115727 -0.00271594 0.000672948 16
4602 72 C 15.1325 20.8981 11.5612 0.000908325 -0.00153065 -0.00142423 16
4603 73 C 14.9641 21.6602 10.2099 0.00264936 -0.000486924 -0.0039459 16
4604 74 C 15.0333 20.7269 8.9864 -0.000116628 0.00215757 0.000736449 16
4605 75 C 15.0002 21.4831 7.61569 -0.00186079 -0.000233818 -0.0016713 16
4606 76 C 15.179 20.4142 6.52302 0.00279598 0.0011533 -0.0011524 16
4607 77 C 15.393 20.8029 5.06052 0.000479033 -0.000506147 0.00447111 16
4608 78 C 14.4446 21.9299 4.51063 -0.0024111 0.00255187 -0.00219368 16
4609 79 C 14.0521 21.7681 3.02602 -0.000789073 0.00511162 -0.00246815 16
4610 80 C 15.2359 21.8723 2.03906 -0.000495379 0.00642075 -0.00284389 16
4611 81 C 14.8479 21.3236 0.648376 0.00584498 -0.00332852 0.00240841 16
4612 82 C 17.6654 26.7326 15.2141 0.00267345 -0.00120576 -0.000825528 16
4613 83 C 17.9635 26.7062 13.6645 -0.00208208 -0.00137784 0.00546287 16
4614 84 C 17.9758 28.1134 13.1012 -0.000818817 -0.00564398 -0.000198303 16
4615 85 C 18.7233 28.3993 11.7865 0.000639594 -0.000901309 -0.00235623 16
4616 86 C 18.1763 27.6371 10.5855 0.00463281 0.000460126 0.00191414 16
4617 87 C 18.7072 28.2203 9.24975 0.000260205 0.000681846 0.000454739 16
4618 88 C 18.0601 27.5418 8.0478 -0.00092802 0.000318376 0.000745812 16
4619 89 C 18.5528 28.1216 6.69129 0.00556994 -0.00174444 -0.00113665 16
4620 90 C 17.7334 27.5915 5.52322 0.00114999 0.00199031 -0.00385637 16
4621 91 C 18.2423 28.0179 4.13592 -0.000756213 0.000160765 0.00298816 16
4622 92 C 17.1524 27.6342 3.09067 -0.00123403 0.000445809 -0.0045978 16
4623 93 C 17.4505 27.9043 1.58029 0.000252154 0.00172663 -0.000454204 16
4624 94 C 7.38566 23.398 33.6465 0.00146818 -0.00255745 0.00101068 16
4625 95 C 7.16172 23.6091 35.1877 0.000718056 0.000280469 0.00607414 16
4626 96 C 5.68864 23.325 35.6476 -0.00129522 0.000366108 0.00352334 16
4627 97 C 5.20183 23.9375 36.965 0.000921267 0.000579196 0.00142614 16
4628 98 C 5.9104 23.4813 38.247 0.00119661 -0.000654085 0.00315523 16
4629 99 C 5.33474 24.198 39.466 0.000701307 0.00211058 0.000312289 16
4630 100 C 6.20752 24.3848 40.6803 -0.00260923 -0.00266162 0.00232848 16
4631 101 C 5.83481 23.4515 41.8308 -0.0012494 -0.00136618 -0.00172572 16
4632 102 C 6.55523 23.9223 43.1033 -0.00269791 0.00163892 -0.000187339 16
4633 103 C 6.04773 23.1181 44.3464 -0.00218258 -0.00195106 -0.00151132 16
4634 104 C 6.69942 23.5918 45.6293 -0.00208973 0.000566268 0.00192878 16
4635 105 C 6.16688 22.8169 46.8382 -0.00131892 -0.00312819 -0.000413867 16
4636 106 C 13.3903 27.0425 34.3426 -0.000142337 -0.000266307 -0.00255229 16
4637 107 C 13.3103 27.081 35.863 -0.00519193 -0.00721265 0.000100016 16
4638 108 C 13.906 28.3195 36.5379 0.00179336 0.00263994 0.00479919 16
4639 109 C 14.2807 28.0799 38.033 -0.000404922 0.00395614 0.00230976 16
4640 110 C 13.0947 27.9848 39.0048 -0.00125667 -0.00486982 0.000683772 16
4641 111 C 13.5358 27.5871 40.4464 -0.000722762 0.000933644 -8.74807e-06 16
4642 112 C 14.0616 28.7431 41.2911 0.00109516 0.000717321 0.00116536 16
4643 113 C 14.0785 28.46 42.8089 0.000721109 0.00202273 0.00081313 16
4644 114 C 14.2438 29.6442 43.7586 -0.00293114 0.00349128 0.000958745 16
4645 115 C 14.2945 29.2167 45.216 -0.00349869 -0.000544263 0.00107438 16
4646 116 C 13.2354 28.1351 45.5765 -0.00856627 -0.00203812 -0.000544513 16
4647 117 C 13.1194 27.9083 47.0824 0.00296286 0.00111002 -0.00407994 16
4648 118 C 13.3231 19.8515 34.3996 0.00385572 0.00167565 0.00207762 16
4649 119 C 13.4817 20.1454 35.8996 -0.00158464 -0.000145822 -0.000233878 16
4650 120 C 14.0752 19.0101 36.7389 -0.00170141 -0.000266416 -0.00332173 16
4651 121 C 14.3104 19.567 38.1901 -0.000528189 0.00191627 -0.000560921 16
4652 122 C 14.4567 18.4241 39.1966 0.00131753 -0.00322079 0.00513099 16
4653 123 C 14.8234 18.864 40.6213 -0.00581508 0.00118448 0.000978734 16
4654 124 C 13.7164 19.6518 41.2863 0.00275542 0.00127598 0.00557116 16
4655 125 C 14.0694 20.0688 42.7437 -0.00135892 0.0032465 -0.00217941 16
4656 126 C 14.0139 18.9864 43.7941 0.00261066 2.57291e-05 -0.00423199 16
4657 127 C 14.654 19.5335 45.0815 0.00115978 -0.0022158 -0.000431228 16
4658 128 C 14.2326 18.7943 46.3787 0.00281757 0.00102546 0.00165306 16
4659 129 C 12.7725 19.1737 46.793 -0.00166773 -0.00271423 -0.00262787 16
4660 130 F 14.4293 21.3761 26.1433 -0.00257225 -0.00175692 -0.000120705 16
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4665 135 H 7.35295 23.4658 28.7192 0.00514592 0.000336439 -0.00929821 16
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4669 139 H 13.1282 21.0459 28.3379 -0.00493989 -0.0126852 0.00137313 16
4670 140 H 14.2598 25.5572 22.9819 0.0159185 -0.0106393 -0.0136684 16
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4675 145 H 21.3849 24.1512 19.9237 -0.00876729 0.0158536 0.00935155 16
4676 146 H 21.5702 24.1243 17.3779 0.00126185 -0.00952536 0.000888588 16
4677 147 H 19.0717 23.8418 20.9272 0.00719963 0.00546168 0.00374419 16
4678 148 H 14.9275 28.2147 19.6236 -0.00782213 -0.00411728 0.00442032 16
4679 149 H 15.2217 28.4612 17.1435 -0.0143183 0.00160509 0.00919992 16
4680 150 H 17.0051 24.1142 15.7873 -0.00350688 0.00157706 -0.0014297 16
4681 151 H 15.4308 26.1538 20.7248 -0.00723746 0.00132676 -0.00352382 16
4682 152 H 11.5802 23.5128 33.1552 -0.0128725 0.0176501 0.000702405 16
4683 153 H 20.353 22.2799 14.6829 0.00125572 -0.00173707 0.0154457 16
4684 154 H 18.7718 22.0545 15.5085 -0.0130784 0.00277669 -0.00337999 16
4685 155 H 17.9925 23.9811 13.7548 0.00995925 0.00447046 -0.00261423 16
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4687 157 H 19.907 22.1294 12.142 0.00573609 -0.000500571 0.0152371 16
4688 158 H 20.0239 23.8984 12.2262 0.00954827 -0.0112875 -0.00277868 16
4689 159 H 17.6277 24.0156 11.2062 0.00447555 0.000861316 0.00828486 16
4690 160 H 17.7459 22.2978 10.9448 -0.00416434 0.00216446 -0.00127441 16
4691 161 H 19.9825 22.9212 9.74646 -0.00293422 -0.00535296 0.00881308 16
4692 162 H 19.3968 24.608 9.89361 -0.0056037 0.00188092 0.0117007 16
4693 163 H 17.3755 23.9431 8.51559 0.00516035 0.00318867 -0.00397 16
4694 164 H 17.9257 22.2882 8.45196 0.000744608 -0.00250234 0.00838915 16
4695 165 H 19.9712 23.0638 7.13023 -0.000452729 0.000549215 0.00473257 16
4696 166 H 19.4383 24.7134 7.31457 0.00420773 0.00325466 0.00816857 16
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4698 168 H 17.9969 22.4557 5.84927 0.00720332 -0.00334612 -0.00657879 16
4699 169 H 19.7761 23.4824 4.49359 -0.0029832 0.00239053 -0.00372318 16
4700 170 H 19.0801 25.0944 4.72827 0.00425079 0.00114055 0.00896171 16
4701 171 H 16.9838 24.3664 3.65296 -0.00662598 -0.00420551 -0.0117332 16
4702 172 H 17.6558 22.741 3.43496 0.00776961 -6.73049e-05 0.000442307 16
4703 173 H 18.8878 25.3161 2.11465 -0.00989996 0.00508793 0.0101764 16
4704 174 H 17.6606 24.3685 1.33899 -0.00908422 -0.00677819 0.0135599 16
4705 175 H 20.4606 23.4012 1.99644 0.00303761 -0.00453292 -0.00195847 16
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4709 179 H 13.9932 20.9705 14.3122 -0.00510978 0.0085732 -0.0059707 16
4710 180 H 14.1393 22.4283 12.6985 -0.00447674 -0.00847596 -0.0166056 16
4711 181 H 15.9308 22.5242 12.622 -0.00375385 -0.00105425 -0.0117379 16
4712 182 H 16.1237 20.4304 11.5138 -0.000334383 -0.00504319 0.00769594 16
4713 183 H 14.3655 20.1231 11.6816 -0.00895921 0.00935174 0.00577728 16
4714 184 H 14.0105 22.198 10.1396 0.0023498 -0.00172632 -0.0094798 16
4715 185 H 15.7386 22.4309 10.1121 0.00358837 -0.00121554 -0.00224467 16
4716 186 H 15.9011 20.0669 9.10785 -0.0047728 -0.00240665 0.00935905 16
4717 187 H 14.1733 20.0471 8.94613 0.0169237 -0.0199968 0.011372 16
4718 188 H 14.0601 22.0262 7.45831 -0.00463355 -0.0028157 0.00601666 16
4719 189 H 15.8542 22.1602 7.49093 -0.00823509 0.00868655 0.00334458 16
4720 190 H 15.9922 19.7222 6.7748 0.00708411 0.0139864 0.0200814 16
4721 191 H 14.2788 19.7893 6.57295 0.00845128 -0.00701464 -0.00131418 16
4722 192 H 16.4294 21.1469 4.95616 -0.000575935 -0.00363359 -0.0161494 16
4723 193 H 15.2746 19.8965 4.45401 0.0103249 0.00135197 -0.000219687 16
4724 194 H 13.5207 21.9654 5.10112 -0.00304577 0.00112796 -0.00310222 16
4725 195 H 14.9565 22.8847 4.68309 -0.00688981 0.00371687 0.00466638 16
4726 196 H 13.5593 20.7952 2.90793 0.0106779 -0.000626114 -0.00296614 16
4727 197 H 13.2706 22.4893 2.75668 -0.00619506 -0.00617624 -0.01707 16
4728 198 H 15.6128 22.9025 2.03628 0.00478522 0.00447569 -0.00607212 16
4729 199 H 16.0383 21.2208 2.4066 0.000232926 0.00417352 -0.00841453 16
4730 200 H 15.5466 21.5396 -0.169379 -0.0149407 0.00425345 -0.013422 16
4731 201 H 14.7328 20.2327 0.652932 -0.00752478 -0.00193524 -0.00390911 16
4732 202 H 13.9206 21.8185 0.334449 0.004737 -0.00732459 -0.000595202 16
4733 203 H 18.0473 27.66 15.6585 -0.00867988 0.0011564 0.00400861 16
4734 204 H 18.2371 25.9184 15.6765 0.0009799 -0.00846424 -0.0115382 16
4735 205 H 18.9558 26.2645 13.5105 -0.00378863 -0.00207386 -0.00357734 16
4736 206 H 17.3281 26.0436 13.0639 0.00172044 -0.0111821 0.0122506 16
4737 207 H 16.9291 28.4172 12.9762 0.00617095 0.0139664 -0.0113462 16
4738 208 H 18.462 28.7202 13.875 -0.000761426 -0.00668937 0.00058881 16
4739 209 H 18.5259 29.4645 11.6135 0.00495688 -5.89889e-05 -0.0020706 16
4740 210 H 19.8107 28.2994 11.8918 0.00133528 0.00140437 -0.00736609 16
4741 211 H 18.5021 26.5973 10.7123 -0.0208406 -0.00761211 0.000970493 16
4742 212 H 17.0795 27.6359 10.6018 0.00454454 -0.00787294 -0.0047339 16
4743 213 H 18.5558 29.3065 9.22588 -0.00312743 0.000555951 0.015914 16
4744 214 H 19.7975 28.1065 9.21029 -0.000866325 -0.00853553 -0.00384588 16
4745 215 H 18.2604 26.4635 8.02396 -0.0120454 -0.00137025 -0.0173467 16
4746 216 H 16.9828 27.7372 8.11543 -0.00250186 -0.00666496 -0.00429638 16
4747 217 H 18.4599 29.2132 6.74768 -0.00380398 -0.00268358 0.00169488 16
4748 218 H 19.6089 27.8902 6.50573 0.00641239 0.00312874 -0.00242718 16
4749 219 H 17.7291 26.4974 5.60304 -0.00608998 0.00118815 -0.0154326 16
4750 220 H 16.7054 27.9674 5.59539 0.000941651 0.00336672 -0.0137355 16
4751 221 H 18.422 29.1 4.12617 -0.00744003 0.00126964 0.00334405 16
4752 222 H 19.2238 27.5471 4.00006 -0.000498918 0.00237625 -0.00274277 16
4753 223 H 16.9166 26.5712 3.22431 -0.00562725 0.00171467 -0.00223227 16
4754 224 H 16.2058 28.1472 3.30079 -0.0014472 -0.00378636 0.0047152 16
4755 225 H 16.5435 27.6691 1.00986 0.00495971 -0.0025913 -0.00617186 16
4756 226 H 17.7782 28.9373 1.41007 0.0136954 -0.0022489 0.00128582 16
4757 227 H 18.1771 27.1761 1.1995 0.013315 0.0115236 0.00584416 16
4758 228 H 6.69677 24.0617 33.1095 0.00488081 -0.00775997 -0.00982132 16
4759 229 H 7.12158 22.3496 33.4608 -0.0105384 -0.00131464 0.0109778 16
4760 230 H 7.83152 22.9733 35.7797 0.00371799 -0.00642885 -0.00455319 16
4761 231 H 7.46663 24.6156 35.4998 0.00488268 0.00066489 0.000753817 16
4762 232 H 5.0348 23.7193 34.8599 0.00793653 0.00827377 -0.000206547 16
4763 233 H 5.53512 22.2461 35.7733 -0.0109814 -0.00129273 -0.0226893 16
4764 234 H 5.29631 25.0274 36.8837 0.0126591 -0.000526303 0.000248678 16
4765 235 H 4.13629 23.7595 37.1556 -0.00165799 0.00316391 -0.0107437 16
4766 236 H 5.67918 22.4206 38.4049 -0.00701134 -0.000744055 -0.00945423 16
4767 237 H 7.0045 23.5541 38.2149 0.00156195 -0.00976473 -0.00507997 16
4768 238 H 5.13469 25.2292 39.1497 -0.00191099 -0.00059676 -0.00685217 16
4769 239 H 4.33069 23.8152 39.6868 -0.000368634 -0.00156199 -0.0108518 16
4770 240 H 7.25972 24.3225 40.3763 -0.00748379 0.022837 -0.0199391 16
4771 241 H 6.07982 25.4066 41.0584 -0.00375079 0.00320257 -0.0139469 16
4772 242 H 4.7519 23.4485 42.0061 -0.0016836 -0.0118882 -0.00456098 16
4773 243 H 6.14029 22.4264 41.5872 0.00215632 -0.00297439 0.00930451 16
4774 244 H 7.65064 23.9136 43.0448 -0.00210376 -0.0068075 0.0119978 16
4775 245 H 6.28876 24.9661 43.3103 0.000797364 0.00458003 -0.0106041 16
4776 246 H 4.96126 23.236 44.4418 -0.00322081 -0.00692176 -0.00722319 16
4777 247 H 6.29747 22.0545 44.2474 0.0061632 0.000226736 -0.00393124 16
4778 248 H 7.78746 23.4585 45.5867 -0.00151503 0.00800062 -0.00639138 16
4779 249 H 6.50225 24.6618 45.7693 -0.00486215 0.000913584 -0.00463792 16
4780 250 H 6.35653 21.7394 46.7576 0.00258764 -0.00265258 0.00242664 16
4781 251 H 6.68887 23.2104 47.7192 0.000830239 -0.0159697 0.00403248 16
4782 252 H 5.08487 22.9804 46.9152 0.00198663 0.0125896 0.0125106 16
4783 253 H 14.4603 27.04 34.101 -0.000596711 -0.00102038 -0.00455706 16
4784 254 H 12.8921 27.9414 33.9588 -0.00380678 0.003091 0.010046 16
4785 255 H 12.2524 26.9593 36.1267 -0.00602884 -0.00621245 -0.0027885 16
4786 256 H 13.8119 26.1907 36.2621 -0.0042867 -0.00821038 -0.00326433 16
4787 257 H 14.8178 28.659 36.0312 0.00525304 0.00179198 0.010435 16
4788 258 H 13.1901 29.15 36.503 0.00107971 0.00208863 0.00630222 16
4789 259 H 14.8918 27.1719 38.1069 0.00179483 0.00601594 0.00945315 16
4790 260 H 14.9907 28.8655 38.3196 0.00844437 -0.00476544 0.00435523 16
4791 261 H 12.512 28.9141 39.0236 0.00352835 -0.00194919 0.0043824 16
4792 262 H 12.4393 27.2019 38.6036 -0.00631231 -4.52377e-05 -0.000457366 16
4793 263 H 12.7336 27.0851 41.0013 0.00492319 -0.00634259 0.00157921 16
4794 264 H 14.2917 26.8016 40.3242 0.009036 0.00883661 0.00978455 16
4795 265 H 15.1022 28.9676 41.0263 -0.000944354 -0.0116276 -0.0171505 16
4796 266 H 13.4954 29.666 41.1149 -0.00188945 -0.00490307 -0.0185525 16
4797 267 H 13.1356 27.9482 43.0377 0.00609107 -0.00722863 0.00232494 16
4798 268 H 14.8378 27.7008 43.0337 -0.00416649 -0.00499184 -0.00632661 16
4799 269 H 15.1964 30.1374 43.5289 -0.00381625 0.0082531 0.00750698 16
4800 270 H 13.5199 30.4566 43.6197 -0.00684307 0.00225042 0.0141087 16
4801 271 H 15.2958 28.7978 45.3748 -0.00111094 0.00279294 -0.00516433 16
4802 272 H 14.2378 30.0639 45.9106 0.00889623 0.0014226 -0.000303464 16
4803 273 H 12.2852 28.5396 45.2065 -0.00162431 0.00950235 -0.00584505 16
4804 274 H 13.4256 27.1825 45.0669 -0.00278277 -0.0112813 0.0189189 16
4805 275 H 13.1732 26.8542 47.3815 -0.00044414 0.00572691 0.0129021 16
4806 276 H 13.9229 28.4346 47.6123 -0.00439806 0.0053398 0.00288462 16
4807 277 H 12.1686 28.3304 47.4305 0.00463499 -0.0052596 0.00819834 16
4808 278 H 12.5574 19.09 34.2069 -0.00345062 0.0125018 -0.0117103 16
4809 279 H 14.2849 19.4237 34.0905 0.0108283 0.0100475 0.0121896 16
4810 280 H 12.5564 20.4757 36.3876 -0.00295381 -0.000118283 -0.00285772 16
4811 281 H 14.1214 21.0342 35.965 0.000913947 -0.00313932 0.0157794 16
4812 282 H 15.0029 18.6207 36.3017 4.25062e-05 -0.00573133 0.00523976 16
4813 283 H 13.3999 18.1479 36.8022 -0.00494789 0.00228087 -0.00331918 16
4814 284 H 13.5269 20.2854 38.4611 -0.00810852 -0.0075426 0.00250594 16
4815 285 H 15.232 20.1621 38.1839 -0.00613761 0.0106343 0.0027864 16
4816 286 H 15.1237 17.638 38.8216 -0.0109474 -0.0116072 0.000800561 16
4817 287 H 13.485 17.9163 39.234 -0.000776968 0.000103938 -0.00398252 16
4818 288 H 15.7758 19.4079 40.6003 -0.00644485 0.0027257 0.0126259 16
4819 289 H 15.0466 17.9633 41.2064 -0.00417019 0.00868817 0.0118858 16
4820 290 H 12.7591 19.1168 41.2563 0.00117514 0.00482818 -0.00742446 16
4821 291 H 13.524 20.5922 40.7553 0.000189768 -0.00157678 0.0014607 16
4822 292 H 13.3498 20.857 42.9975 0.000630229 0.00229127 0.00635645 16
4823 293 H 15.0751 20.5061 42.7706 0.00104936 -0.00231899 -0.00156751 16
4824 294 H 14.5923 18.1029 43.497 0.00561825 0.00248255 -0.00569117 16
4825 295 H 12.966 18.7147 43.9713 0.00088405 0.00602864 -0.00522021 16
4826 296 H 14.4511 20.6032 45.2156 -0.0123934 -0.00452717 -0.00248959 16
4827 297 H 15.73 19.394 44.9199 0.00229069 0.0112587 -0.00444118 16
4828 298 H 14.9266 19.0921 47.1744 0.00329529 -0.00479444 0.00340778 16
4829 299 H 14.3227 17.714 46.2109 0.0158893 0.00128701 0.00706297 16
4830 300 H 12.501 18.7813 47.7807 0.00181353 0.00512477 0.00146664 16
4831 301 H 12.0604 18.8394 46.0284 -0.00117571 -0.00708565 -0.00117245 16
4832 302 H 12.6414 20.2535 46.9355 0.0109982 -0.00199805 0.00360702 16
4833 1 C 17.6188 19.925 31.1874 -0.00415972 0.00211674 0.000574973 17
4834 2 C 17.7811 19.792 29.7854 0.0048103 -0.00138458 -0.00519073 17
4835 3 C 17.1912 18.7413 29.1085 0.0030118 -0.00195013 -0.000781741 17
4836 4 C 16.5228 17.7649 29.8759 -0.0019819 -0.00107116 -0.00415609 17
4837 5 C 16.3529 17.8938 31.2865 0.0028748 0.00248362 0.00120386 17
4838 6 C 16.8978 19.0105 31.9555 0.00380833 0.00329441 0.000557486 17
4839 7 C 11.7773 16.9122 30.6071 0.00196109 -0.00400365 0.00349786 17
4840 8 C 11.9551 16.9034 29.2205 0.000388373 0.000578754 -0.00138909 17
4841 9 C 13.2658 16.7718 28.7401 -0.000442399 0.000398164 0.00263911 17
4842 10 C 14.3702 16.6725 29.6362 -0.0015999 -0.00308317 0.00180758 17
4843 11 C 14.1707 16.7334 31.0577 -0.00217533 0.000106466 0.00262547 17
4844 12 C 12.8446 16.9197 31.5592 -0.000929165 -0.000491457 0.000348315 17
4845 13 C 17.5629 13.3895 31.6375 -0.000885799 -0.000467924 -0.00230321 17
4846 14 C 17.6344 13.2607 30.2729 0.000340817 0.00205414 0.00475665 17
4847 15 C 17.0675 14.2522 29.4578 0.000326522 -0.00146712 0.00420204 17
4848 16 C 16.397 15.3178 30.0288 -0.00129136 0.000661149 0.00440311 17
4849 17 C 15.8586 16.5311 29.2481 -0.00230473 -0.00336202 0.00494208 17
4850 18 O 16.6343 14.3537 33.6622 -0.00226983 0.00488022 0.000944999 17
4851 19 O 12.5681 16.9831 32.8829 -0.00160624 -0.00548069 -0.00281255 17
4852 20 O 16.7519 19.1916 33.3219 0.00156104 0.00554482 -0.00193247 17
4853 21 C 16.8239 14.4274 32.2538 0.0024454 -0.00526969 0.00200297 17
4854 22 C 16.1553 16.3836 27.8175 -0.000441728 -0.00191772 0.00435175 17
4855 23 C 16.696 16.2972 26.7345 0.00256251 -0.00241429 -0.000608288 17
4856 24 C 17.4934 16.2727 25.5358 -0.00141052 -0.00548443 0.0010226 17
4857 25 C 18.6159 15.4271 25.4396 0.000666086 -0.000631933 0.00131262 17
4858 26 C 19.5003 15.5879 24.3482 0.00162283 0.00245533 -0.00328938 17
4859 27 C 19.2878 16.663 23.4529 -0.000811813 -0.00180364 -0.0037494 17
4860 28 C 18.1454 17.4941 23.5472 0.00340244 0.00315707 -0.00221247 17
4861 29 C 17.294 17.2846 24.6275 -0.00106558 -0.00374196 -0.00442459 17
4862 30 C 20.0665 16.7769 22.2685 -0.00307381 6.03215e-05 -0.00104648 17
4863 31 C 20.5327 16.9166 21.15 -0.0035846 0.000294528 0.00127465 17
4864 32 C 19.1767 13.7636 18.7202 -0.00254643 -0.00597544 -0.000382074 17
4865 33 C 19.3883 13.8355 17.3488 -0.000688196 5.28774e-05 -0.00298862 17
4866 34 C 19.9717 14.9496 16.743 0.00634801 0.0039037 0.0022115 17
4867 35 C 20.3053 16.025 17.5742 0.00100715 0.00343368 -0.00238686 17
4868 36 C 20.1588 15.92 18.9775 -0.00140182 0.00629194 0.00281447 17
4869 37 C 19.5393 14.8012 19.5576 -0.00104707 0.0060033 0.0014353 17
4870 38 C 20.7961 17.0896 19.7416 -0.00407258 0.00206835 -0.00137038 17
4871 39 C 24.6552 16.939 19.2884 0.00171574 -0.000943435 0.00214916 17
4872 40 C 24.6537 16.9094 17.8927 -0.000904639 -0.00102812 0.00261626 17
4873 41 C 23.4743 17.1039 17.1438 0.00085345 0.000237214 -0.00102675 17
4874 42 C 22.2816 17.2416 17.824 -0.000927207 -0.00269056 0.00472278 17
4875 43 C 22.2246 17.1517 19.2291 -0.00280664 0.00393261 -0.000350952 17
4876 44 C 23.4054 17.0362 19.9606 0.0021939 0.000126788 -0.00283465 17
4877 45 C 18.8455 20.4038 19.313 -0.00194445 -0.000734717 0.000695757 17
4878 46 C 18.8114 20.4734 17.903 -0.00576762 -0.00129505 -0.000823871 17
4879 47 C 19.4585 19.4755 17.1355 0.00399489 -0.00259402 -0.000567827 17
4880 48 C 20.1041 18.4157 17.7659 -0.00205863 -0.00456813 -0.00177779 17
4881 49 C 20.9386 17.3047 17.1192 -0.0020634 0.00123188 5.94167e-05 17
4882 50 C 20.0628 18.333 19.1829 -0.00188097 -0.00116792 0.00524367 17
4883 51 C 19.4614 19.3492 19.9557 -0.00247749 0.00380013 0.00442559 17
4884 52 O 23.4421 17.1073 15.8066 0.00265513 -0.000300759 0.00162169 17
4885 53 O 20.1497 15.0139 15.358 -0.000180854 0.00230325 -0.000717781 17
4886 54 O 19.4987 19.5732 15.7706 0.00265979 -0.00286883 -0.00190223 17
4887 55 C 15.52 16.7063 31.8856 -0.0026272 -0.00052023 0.000139179 17
4888 56 C 16.2728 15.4406 31.4434 -0.00243798 0.000127455 0.00488365 17
4889 57 C 24.382 17.8681 15.0454 -0.000749935 -0.00294601 -0.00156401 17
4890 58 C 24.0485 17.9081 13.517 -0.00106281 -0.000976711 0.00368174 17
4891 59 C 22.9199 16.9738 12.97 -0.000831637 0.000691497 -0.00107936 17
4892 60 C 22.473 17.4038 11.525 0.00170791 -0.00153661 -0.00125391 17
4893 61 C 23.2258 16.8271 10.3353 -0.00255527 -0.00304061 -0.00333414 17
4894 62 C 22.8425 17.5972 9.00907 -0.000337557 -0.00452643 -0.00668558 17
4895 63 C 23.1384 16.8161 7.73699 0.00162087 0.000834192 0.00148552 17
4896 64 C 22.9806 17.6023 6.41433 -0.00517504 0.00191643 -0.00177922 17
4897 65 C 23.0159 16.7777 5.1511 0.001273 0.0013691 0.00121276 17
4898 66 C 23.4144 17.6368 3.88438 0.000489075 -0.00107109 0.00163807 17
4899 67 C 23.7008 16.8452 2.60256 0.000772087 0.000294713 -0.00186457 17
4900 68 C 22.4255 16.5391 1.83927 -0.000256547 0.00165011 0.000135565 17
4901 69 F 20.6188 14.8336 24.1902 -0.00315651 0.00179007 0.000756477 17
4902 70 C 21.3107 14.526 14.6967 -0.00298219 0.00226613 -0.00154468 17
4903 71 C 21.3024 13.0026 14.5799 -0.000278543 0.00332791 -0.000974508 17
4904 72 C 22.3678 12.4271 13.6512 0.000914309 0.00134068 9.73889e-05 17
4905 73 C 22.1401 12.6103 12.1295 0.0007749 -0.0043485 0.00147115 17
4906 74 C 23.1408 11.8158 11.2947 -0.00181345 0.000351904 0.00468382 17
4907 75 C 22.7752 11.5367 9.84051 0.00628897 0.00371573 0.00161667 17
4908 76 C 22.9796 12.6695 8.78083 -0.000326793 -0.00234529 -0.00474489 17
4909 77 C 22.7092 12.122 7.37263 0.000993612 0.000589526 -0.00406828 17
4910 78 C 22.9716 13.097 6.17146 0.00346606 -0.00181717 0.000662278 17
4911 79 C 22.5465 12.4541 4.84529 0.000508194 0.000458426 -0.00208991 17
4912 80 C 22.7938 13.3563 3.62997 0.00273955 0.000584524 0.00132455 17
4913 81 C 22.4895 12.7594 2.25624 0.000780941 0.00482219 0.00270094 17
4914 82 C 18.3698 19.1649 15.0503 -0.00535997 0.000574085 -0.0021249 17
4915 83 C 18.6045 19.5353 13.5742 0.00208558 0.00235443 -0.000203395 17
4916 84 C 19.2811 18.4513 12.6841 -0.00565778 -0.00101199 -0.00117253 17
4917 85 C 18.8172 18.3922 11.2425 -0.000590497 0.000512234 0.00326868 17
4918 86 C 19.4061 19.4658 10.2987 0.000327028 0.000680794 0.000377693 17
4919 87 C 19.016 19.1515 8.82451 -0.000451171 -0.00367537 0.00221408 17
4920 88 C 19.7596 19.9751 7.76648 0.00102436 0.00362398 -0.000121764 17
4921 89 C 19.2201 19.6711 6.31564 -0.002133 -0.00111809 0.000150773 17
4922 90 C 20.1139 20.3312 5.25564 0.00149469 0.00445028 -0.000211973 17
4923 91 C 19.4476 20.3493 3.83642 -0.000933912 -0.0012234 0.00302358 17
4924 92 C 19.3151 18.9776 3.15829 -0.00121827 -0.00130493 -4.32621e-05 17
4925 93 C 18.8485 19.2741 1.67466 0.00213498 -0.00693683 -0.00839438 17
4926 94 C 11.209 16.9054 33.3782 -0.00120762 -0.00148916 0.00108959 17
4927 95 C 11.109 16.768 34.919 -0.00135609 -0.00134192 -0.000725043 17
4928 96 C 9.70451 16.9547 35.4768 -0.00220394 -0.00137483 -0.00368469 17
4929 97 C 9.57902 16.7577 36.972 0.00146488 -0.000255052 -0.00110662 17
4930 98 C 10.5046 17.6598 37.8071 0.00061711 -0.00109968 0.0020327 17
4931 99 C 10.1603 17.7132 39.3004 -0.000679336 -0.00357164 0.00386634 17
4932 100 C 9.8907 16.4125 39.9516 -0.00182783 0.00138929 0.00187257 17
4933 101 C 9.77321 16.4497 41.4791 -0.000592705 -0.000859514 -0.00130606 17
4934 102 C 11.0879 16.8286 42.2077 0.00252162 -0.00223343 0.00214649 17
4935 103 C 11.17 16.2795 43.6407 -0.0022356 0.00168746 0.00138163 17
4936 104 C 10.2524 17.1284 44.541 -0.00413272 -0.00268401 -0.00207642 17
4937 105 C 10.3159 16.6702 46.0141 0.0022049 0.000927117 -0.00743964 17
4938 106 C 17.5159 20.2451 33.927 0.00411279 0.00153585 0.00370597 17
4939 107 C 17.1909 20.4229 35.431 -0.00396433 -0.00102368 -0.00678363 17
4940 108 C 17.9211 21.6787 35.9784 -0.00379006 0.00176573 0.0057156 17
4941 109 C 17.7217 21.8765 37.4983 0.000307937 0.00338567 -0.0029226 17
4942 110 C 18.1487 20.6442 38.3249 -0.000613724 -0.00435402 -0.00317605 17
4943 111 C 18.4429 20.9565 39.8072 0.00156828 -0.0025624 -0.00255845 17
4944 112 C 17.4651 21.839 40.555 0.00308036 -0.00390258 0.00370574 17
4945 113 C 17.7438 22.0716 42.0699 0.00273543 -0.000856489 -0.00165941 17
4946 114 C 18.1593 20.8614 42.975 -0.00288929 0.00166658 -0.00237141 17
4947 115 C 18.761 21.2602 44.3574 0.00281114 0.00128133 -0.000446974 17
4948 116 C 17.7147 22.0045 45.2371 0.00323659 0.00138004 0.00257771 17
4949 117 C 18.0817 21.8962 46.7226 0.00194484 0.00287299 0.00250937 17
4950 118 C 17.3261 13.3307 34.4575 -0.0015663 -0.00154211 0.00152909 17
4951 119 C 16.9285 13.2973 35.9431 1.01941e-05 0.000504965 -0.00141982 17
4952 120 C 17.7727 12.4405 36.875 -0.00185569 -0.000886412 -0.00362663 17
4953 121 C 17.0372 12.2035 38.2148 -0.0027677 0.00158286 -0.00278849 17
4954 122 C 18.0509 12.0475 39.4191 -0.000941575 -0.000826547 0.000671834 17
4955 123 C 17.3028 11.8068 40.7294 0.000736337 -0.00432089 0.00258961 17
4956 124 C 18.0927 12.2029 42.0027 0.00302978 0.000956924 0.00192417 17
4957 125 C 17.339 11.876 43.2915 0.000144016 0.00287356 0.000272921 17
4958 126 C 18.0822 12.3524 44.5368 -0.000631704 -0.000910862 0.000770775 17
4959 127 C 17.3809 11.8641 45.8117 0.000509476 -0.00514598 0.00259708 17
4960 128 C 18.1607 12.1638 47.0965 -0.00422255 0.00140652 -0.00881012 17
4961 129 C 17.4969 11.5647 48.3181 0.000192584 -0.00539952 -0.00196057 17
4962 130 F 18.922 14.4648 26.3376 -0.00171662 -0.00315614 0.000801506 17
4963 131 H 18.0789 20.7919 31.6523 -0.000984672 -0.000736544 0.00275908 17
4964 132 H 18.3033 20.5714 29.2384 0.0117173 0.00184879 0.00599567 17
4965 133 H 17.2993 18.6724 28.0301 0.0170252 0.00289807 0.000313101 17
4966 134 H 10.757 16.994 30.97 -0.00148781 -0.0136967 -0.00404639 17
4967 135 H 11.093 16.9346 28.5608 0.006397 0.00631429 -0.00894869 17
4968 136 H 13.4788 16.7681 27.6753 0.0173018 0.0117346 0.00611 17
4969 137 H 18.0366 12.5802 32.1852 -0.0103921 -0.0075009 -0.0044582 17
4970 138 H 18.1262 12.3989 29.8316 -0.00563841 -0.00645811 0.0146833 17
4971 139 H 17.1394 14.1811 28.3765 -0.00123317 -0.0300139 0.00602066 17
4972 140 H 17.8949 18.2351 22.7939 -0.00219241 0.00703455 0.00345873 17
4973 141 H 16.4123 17.9148 24.6977 0.00144735 -0.00085556 0.00109847 17
4974 142 H 18.7785 12.8591 19.1704 -0.010559 -0.00220954 7.51518e-05 17
4975 143 H 19.1393 13.0058 16.6938 0.0121173 -0.00140088 -0.00603582 17
4976 144 H 19.3867 14.6587 20.6234 0.00842191 -0.00358012 0.00151487 17
4977 145 H 25.5436 16.6448 19.8394 -0.0026119 0.00996689 0.0149025 17
4978 146 H 25.5827 16.7773 17.3459 0.00645499 -0.000949871 0.0151316 17
4979 147 H 23.3451 16.9421 21.0408 0.000703347 -0.00506822 -0.00337022 17
4980 148 H 18.333 21.1353 19.9307 0.00886584 0.00038636 0.00833985 17
4981 149 H 18.3057 21.3087 17.4277 0.00623086 0.0024028 -0.007094 17
4982 150 H 20.9526 17.3908 16.0257 0.00940227 0.00790225 0.000747596 17
4983 151 H 19.4716 19.2369 21.0358 0.00711017 -0.00942664 0.0030139 17
4984 152 H 15.3594 16.8032 32.9664 0.0131234 -0.00554919 0.00291509 17
4985 153 H 24.3961 18.8854 15.4555 -0.00963264 -0.000490521 -0.00733505 17
4986 154 H 25.3735 17.405 15.1222 0.00167237 0.00217559 -0.00200235 17
4987 155 H 24.9668 17.7528 12.9374 -0.0166363 -0.00840907 -0.0190023 17
4988 156 H 23.7102 18.9215 13.2678 -0.0035626 -0.00528918 -0.0105447 17
4989 157 H 22.018 17.0536 13.5894 -0.000425304 0.00515847 -0.00106311 17
4990 158 H 23.2699 15.9345 12.9995 0.00331688 0.00179071 -0.0113009 17
4991 159 H 22.4701 18.4932 11.3961 0.00106307 9.81653e-05 0.012766 17
4992 160 H 21.4109 17.1696 11.3815 0.00229083 0.0025295 -0.0122836 17
4993 161 H 22.8815 15.7961 10.1871 -0.0101964 -0.00279179 0.0127485 17
4994 162 H 24.2952 16.8956 10.5701 -0.0020845 -0.0202822 -0.00050572 17
4995 163 H 23.4556 18.5061 8.97084 0.00459381 -0.00740139 0.00376937 17
4996 164 H 21.7875 17.8918 9.07046 0.00348823 0.0033175 0.0223014 17
4997 165 H 22.4858 15.9358 7.68501 0.00349798 -6.90429e-05 -0.00686103 17
4998 166 H 24.1703 16.4666 7.86518 0.00103124 0.00534711 0.0187998 17
4999 167 H 23.8103 18.3199 6.40815 -0.00306404 -0.000487266 0.0016887 17
5000 168 H 22.0465 18.1774 6.42783 -0.00913622 -0.00469441 0.00565145 17
5001 169 H 22.0689 16.2646 4.94294 -0.00184548 0.00505432 0.00637236 17
5002 170 H 23.7834 16.0027 5.26838 0.00535257 0.00591344 0.00454436 17
5003 171 H 24.2946 18.2471 4.12171 -0.000702897 0.000426207 0.00222142 17
5004 172 H 22.6421 18.3948 3.7049 -0.00227576 -0.00553214 -0.00523037 17
5005 173 H 24.2471 15.9121 2.78735 0.00323049 0.00487192 0.0138843 17
5006 174 H 24.314 17.4563 1.92877 0.0086648 -0.00421085 0.00124125 17
5007 175 H 21.7761 15.8971 2.44721 -0.00496489 0.00903062 0.00288224 17
5008 176 H 22.6708 15.9702 0.933896 -0.00060476 0.013833 -0.00761173 17
5009 177 H 21.8914 17.4426 1.52016 -0.00821686 -0.00368847 -0.00166698 17
5010 178 H 21.3405 14.9201 13.6734 -0.0107881 0.00418122 -0.00102723 17
5011 179 H 22.1933 14.8995 15.2305 0.00433868 -0.0130306 -0.00298262 17
5012 180 H 21.5141 12.6372 15.5924 -0.00829205 -0.00240487 -0.00138562 17
5013 181 H 20.3322 12.6208 14.2388 0.000571623 -0.0031165 0.00384658 17
5014 182 H 23.34 12.8485 13.9352 0.000138272 0.00453897 -0.00199118 17
5015 183 H 22.3798 11.3554 13.8851 0.00221671 0.00131234 -0.000108252 17
5016 184 H 21.1564 12.2554 11.7978 -0.00207717 0.0058506 -0.000972538 17
5017 185 H 22.2356 13.6714 11.8682 0.00710546 -0.00434877 0.0037607 17
5018 186 H 24.168 12.1987 11.3343 -0.00564884 0.0112509 -0.00230971 17
5019 187 H 23.3342 10.837 11.7507 0.00228983 0.00430571 0.0114492 17
5020 188 H 23.3729 10.6658 9.54449 -7.49645e-05 -0.00926199 0.026904 17
5021 189 H 21.7435 11.177 9.74281 0.00452283 0.0127139 -0.0131019 17
5022 190 H 22.3529 13.5439 8.99546 -5.29548e-05 -0.00721227 0.015894 17
5023 191 H 24.0132 13.0368 8.78696 -0.00186782 0.00193902 -0.00144843 17
5024 192 H 23.3245 11.2301 7.20139 -0.0084478 -0.00613838 -0.00296976 17
5025 193 H 21.6757 11.7575 7.32337 -0.000556149 0.00520484 -0.00564024 17
5026 194 H 22.4264 14.0339 6.33992 0.016184 0.00656931 -0.004785 17
5027 195 H 24.032 13.3761 6.13998 0.00284279 -0.000738848 -0.0105676 17
5028 196 H 23.0598 11.4952 4.70267 -0.000487693 0.00216334 -0.017146 17
5029 197 H 21.4584 12.3228 4.89214 0.00341432 -0.0152361 0.0203447 17
5030 198 H 22.1595 14.2424 3.75582 -0.00698503 -0.00823099 0.014413 17
5031 199 H 23.8407 13.6841 3.62478 0.00396926 -0.00335651 0.00049789 17
5032 200 H 22.6628 13.4442 1.4169 -0.0030848 -0.0104115 -0.0105671 17
5033 201 H 23.0471 11.8287 2.09424 -0.00731259 -2.41767e-05 0.00254841 17
5034 202 H 21.4512 12.4176 2.16356 0.00258804 0.00270392 -0.00995339 17
5035 203 H 18.3019 18.0737 15.1402 -0.000776215 0.000558014 0.0011933 17
5036 204 H 17.4551 19.6104 15.4607 -0.00104471 -0.00256489 0.0109212 17
5037 205 H 17.6417 19.7959 13.1175 0.00680795 0.0101306 -0.00573707 17
5038 206 H 19.2589 20.4054 13.4396 0.0157935 -0.00917433 -0.00842971 17
5039 207 H 20.3532 18.6792 12.6384 -0.00490225 -0.00583738 -0.00765015 17
5040 208 H 19.1448 17.4638 13.1422 -0.00226424 0.00241744 0.00723838 17
5041 209 H 18.9932 17.3932 10.8247 -0.00914924 -0.00400586 0.0104708 17
5042 210 H 17.7321 18.5532 11.2466 0.00119923 0.0125848 0.0062705 17
5043 211 H 19.0979 20.4799 10.5816 0.0129084 0.00214583 0.0088802 17
5044 212 H 20.4968 19.4602 10.416 0.000480984 -0.0234021 -0.0023008 17
5045 213 H 19.1547 18.0969 8.5565 -0.00955429 -0.00672699 0.00955009 17
5046 214 H 17.9494 19.3957 8.74656 0.00143399 0.00501901 0.00347506 17
5047 215 H 19.7063 21.0503 7.97723 -0.0108264 0.00310779 -0.000531372 17
5048 216 H 20.8281 19.7375 7.83894 -0.000187253 -0.00398824 -0.0073433 17
5049 217 H 19.1947 18.5878 6.14466 -0.019511 -0.00197418 0.00820127 17
5050 218 H 18.1956 20.063 6.30161 -0.0041752 -0.00711167 -0.0152833 17
5051 219 H 20.3208 21.3681 5.54777 -0.014477 0.00338906 0.0147805 17
5052 220 H 21.0876 19.8376 5.1473 0.00160017 0.00287862 0.00806568 17
5053 221 H 18.4676 20.8301 3.94522 -0.000230295 0.000604078 0.00128797 17
5054 222 H 20.0432 21.0144 3.199 0.0114514 -0.00894709 0.00653364 17
5055 223 H 20.2574 18.417 3.19418 -0.0013063 -0.00202344 -0.00906954 17
5056 224 H 18.5758 18.3946 3.72123 -0.00350414 -0.00171508 -0.003475 17
5057 225 H 17.9003 19.8256 1.68545 -0.00211212 -0.0144312 0.00269336 17
5058 226 H 19.5877 19.8686 1.12388 0.00299828 0.00435859 0.00492656 17
5059 227 H 18.6422 18.3234 1.16763 0.00890224 -0.00644433 -0.0120465 17
5060 228 H 10.7003 17.8391 33.1083 -0.00516335 -0.00347375 0.00167213 17
5061 229 H 10.72 16.0505 32.895 -0.0147846 0.00316711 0.00662108 17
5062 230 H 11.4568 15.7721 35.22 -0.00497266 -0.000505875 0.00621144 17
5063 231 H 11.7897 17.5369 35.3049 -0.00626057 0.00613436 -0.00692378 17
5064 232 H 9.39911 17.9705 35.1969 0.00133177 -0.000741671 -0.00526892 17
5065 233 H 9.0381 16.2916 34.9115 0.000737488 -0.00774411 0.000327333 17
5066 234 H 8.5156 16.8793 37.2124 0.00307229 0.00834649 0.00160375 17
5067 235 H 9.85842 15.7307 37.238 -0.00286048 -0.00537468 -0.0163938 17
5068 236 H 11.5615 17.4425 37.6092 0.00566308 0.013495 0.0129571 17
5069 237 H 10.3377 18.6703 37.414 0.00996822 0.00114046 0.00385332 17
5070 238 H 10.9533 18.277 39.807 0.00976603 0.00312014 -0.019882 17
5071 239 H 9.22722 18.2798 39.4086 0.00564362 0.00590944 0.00866993 17
5072 240 H 8.94285 16.043 39.5413 0.00113085 0.00886023 -0.0117061 17
5073 241 H 10.6475 15.6709 39.6678 -0.0112024 -0.00120529 -0.0163659 17
5074 242 H 9.0327 17.194 41.797 0.00485019 0.00228988 0.00405204 17
5075 243 H 9.46128 15.4711 41.8644 -0.00222474 -0.00118926 -0.00347665 17
5076 244 H 11.9294 16.4633 41.6062 0.0070679 -0.00013023 0.00724177 17
5077 245 H 11.1647 17.9228 42.223 0.0241085 -0.00359854 -0.00948623 17
5078 246 H 10.8465 15.2314 43.6581 -0.00121474 0.00126108 -0.00509778 17
5079 247 H 12.204 16.4117 43.9826 -0.00605787 0.0075671 0.0106687 17
5080 248 H 10.5054 18.184 44.3828 0.00495894 -0.00502723 -0.00312972 17
5081 249 H 9.21211 17.0369 44.205 -0.00455325 -0.0166765 0.00304526 17
5082 250 H 9.82914 17.3738 46.7006 0.00336729 0.0107102 -0.0166709 17
5083 251 H 9.74619 15.7364 46.097 -0.00940933 0.00762045 -0.0115665 17
5084 252 H 11.333 16.5318 46.4013 -0.000307851 0.0045078 0.000475683 17
5085 253 H 18.5858 20.0885 33.7422 0.00358014 -0.00330722 0.00475287 17
5086 254 H 17.232 21.2018 33.4713 -0.00277403 -0.00303115 -0.00158165 17
5087 255 H 16.1155 20.5046 35.6317 -0.00419191 -0.0155351 -0.00212325 17
5088 256 H 17.6211 19.5513 35.9397 0.00676673 0.00169135 -0.0111483 17
5089 257 H 18.9967 21.6963 35.7636 -0.0071125 0.0192007 -0.00955386 17
5090 258 H 17.5869 22.5764 35.4438 0.0150813 0.00835222 0.00496343 17
5091 259 H 18.2093 22.796 37.845 0.00505918 -0.00120497 0.00256743 17
5092 260 H 16.6552 21.9889 37.7292 0.00202059 -0.010368 0.0118691 17
5093 261 H 17.4153 19.836 38.2138 -0.0154394 0.00870054 -0.000246138 17
5094 262 H 19.0985 20.2968 37.9 0.00334314 0.00799283 -0.00447446 17
5095 263 H 18.53 19.9672 40.2733 -0.00117359 -0.00798633 -0.0135106 17
5096 264 H 19.4515 21.3836 39.8681 0.000635582 -0.00124081 0.00353366 17
5097 265 H 17.4694 22.8355 40.0963 -0.00594295 -0.000915137 0.0101107 17
5098 266 H 16.4571 21.4188 40.4516 0.000355183 0.000936201 0.0105888 17
5099 267 H 18.4865 22.8746 42.1527 -0.00410561 0.00631634 -0.00957687 17
5100 268 H 16.835 22.5716 42.4271 0.000661422 -0.00310569 -0.00378282 17
5101 269 H 17.3326 20.1644 43.1596 0.0071572 -0.00572149 0.0149232 17
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5118 286 H 18.5668 13.0146 39.464 0.00543838 -0.0047334 0.0108226 17
5119 287 H 18.8007 11.2573 39.2895 -0.00924789 -0.00789928 -0.0042618 17
5120 288 H 17.0372 10.7487 40.845 -0.00198628 -0.00332464 0.00542034 17
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5135 1 C 21.3396 26.9822 31.3939 0.00239161 0.00430415 0.00323038 18
5136 2 C 21.5033 26.8703 30.0158 -0.000530252 0.00504083 0.00237392 18
5137 3 C 20.9908 25.7525 29.3546 0.00641295 0.000850084 0.000627565 18
5138 4 C 20.3151 24.7765 30.1168 -0.00252322 0.000935437 0.000531048 18
5139 5 C 20.2447 24.8247 31.5475 0.00229792 -0.000927713 0.00138889 18
5140 6 C 20.7132 25.9849 32.1845 -0.00040293 0.000336419 -0.00420293 18
5141 7 C 15.7384 23.4216 31.0629 -0.00173553 -0.000423623 0.00225254 18
5142 8 C 15.8748 23.3478 29.6645 -0.00103056 -0.00294606 -0.00196923 18
5143 9 C 17.1486 23.3303 29.144 -0.00139892 0.00173909 0.000624529 18
5144 10 C 18.2694 23.3989 29.9819 0.000675994 -0.00343155 0.00113308 18
5145 11 C 18.1292 23.4803 31.4006 -0.000646995 0.00149501 0.000991906 18
5146 12 C 16.8399 23.4931 31.9672 0.00591102 -0.00325172 -0.00340476 18
5147 13 C 21.499 20.2443 31.7149 -0.000465154 0.00169515 0.00211848 18
5148 14 C 21.6277 20.2662 30.3123 0.00183953 -0.000633816 0.00120109 18
5149 15 C 21.1002 21.3058 29.569 0.000478125 -0.000693691 0.00196508 18
5150 16 C 20.3831 22.3254 30.2271 -0.00362913 -0.000890934 -0.00385943 18
5151 17 C 19.7395 23.4508 29.4969 -0.00235471 0.00088702 -2.54158e-05 18
5152 18 O 20.6991 21.1979 33.7992 -0.000921851 -0.00129545 -0.00141717 18
5153 19 O 16.5944 23.6151 33.3333 0.00036064 0.00115717 0.000262139 18
5154 20 O 20.6231 26.1171 33.5937 0.00213588 -0.000285562 -0.0043581 18
5155 21 C 20.8295 21.2659 32.4174 -0.000134943 0.00252432 -0.00266626 18
5156 22 C 19.9161 23.3899 28.0518 0.00187111 0.0018811 0.000711758 18
5157 23 C 20.2867 23.3872 26.8949 -0.000217451 0.000876579 0.003163 18
5158 24 C 21.0261 23.4485 25.6887 0.000541254 -0.00163355 -0.0012761 18
5159 25 C 21.081 24.647 24.9411 -0.00388669 0.000846273 0.00272174 18
5160 26 C 22.0163 24.7616 23.8849 -0.00264857 0.00430643 -0.00282376 18
5161 27 C 22.881 23.7195 23.6221 0.000175396 0.00324691 0.00164998 18
5162 28 C 22.8346 22.5214 24.3757 -0.00083603 -0.00495103 0.00118301 18
5163 29 C 21.9007 22.3918 25.4096 -0.00370076 -0.00207446 -0.00448389 18
5164 30 C 23.7007 23.7698 22.4684 0.00217495 -0.0011602 -0.00148479 18
5165 31 C 24.2102 23.8445 21.3615 -0.00156534 0.00356249 0.00240597 18
5166 32 C 22.5442 20.799 18.7897 0.000458669 0.00215159 -0.00127329 18
5167 33 C 22.6222 20.9359 17.4021 -0.00513474 -0.00129787 0.00238838 18
5168 34 C 23.2946 22.0525 16.9071 -0.00281899 0.00322014 -0.000966233 18
5169 35 C 23.9555 22.9472 17.7351 0.000786106 -0.00372387 0.000299666 18
5170 36 C 23.7828 22.8378 19.1382 0.00188179 0.00109624 -0.00282185 18
5171 37 C 23.1247 21.7397 19.6443 0.000443535 0.00325467 -0.000539113 18
5172 38 C 24.5035 23.9157 19.9217 0.00157519 -0.00192471 0.00145387 18
5173 39 C 28.4047 23.7498 19.7197 -0.00387682 -0.000238032 0.00249115 18
5174 40 C 28.5517 23.7037 18.2942 -0.00402103 0.00169431 0.00013571 18
5175 41 C 27.4107 23.7307 17.4856 -0.00150877 -0.000371165 -0.000900372 18
5176 42 C 26.1324 23.8225 18.0777 0.000319077 -0.000235637 0.00135197 18
5177 43 C 25.983 23.7852 19.4755 -0.00160025 4.76158e-05 -0.00310845 18
5178 44 C 27.1407 23.7269 20.308 -0.00146032 -0.00106212 0.00261513 18
5179 45 C 23.307 27.5748 19.3073 -0.0048335 -0.0052244 0.00366685 18
5180 46 C 23.5623 27.6272 17.9037 -6.67232e-05 0.0035646 0.00571997 18
5181 47 C 24.0633 26.5163 17.2176 0.000113062 -0.00684056 0.00307235 18
5182 48 C 24.2456 25.3328 17.9334 -0.00333245 0.00121057 -0.000147279 18
5183 49 C 24.828 24.0945 17.2814 0.000579358 -0.00422714 -0.000511894 18
5184 50 C 24.0537 25.2625 19.3455 -0.00169147 0.00153364 0.000716511 18
5185 51 C 23.6327 26.4014 20.0467 -0.000308319 0.000182696 0.00204203 18
5186 52 O 27.4828 23.8878 16.1275 -0.000996535 -0.000234527 3.79062e-05 18
5187 53 O 23.3038 22.3496 15.5725 0.00124082 -0.000539694 0.00121126 18
5188 54 O 24.2162 26.5373 15.8787 -0.00223808 0.00327748 0.000952629 18
5189 55 C 19.4933 23.6034 32.1311 0.00390377 -0.0038991 -0.00229433 18
5190 56 C 20.2584 22.3416 31.637 0.000872937 0.00303815 -0.00241539 18
5191 57 C 27.715 22.7606 15.2678 -0.00471526 -0.000918565 0.000358885 18
5192 58 C 26.6416 22.7074 14.1718 0.000750941 0.000122189 0.00157826 18
5193 59 C 27.1367 23.3727 12.9081 0.00335194 0.000373836 -0.000112341 18
5194 60 C 26.2162 23.2922 11.6565 6.95829e-05 -0.00542717 -0.00101812 18
5195 61 C 26.9306 23.7717 10.3755 0.00523834 0.000887757 -0.000346547 18
5196 62 C 26.1939 23.5619 9.0462 0.00293889 0.00397963 0.00135126 18
5197 63 C 27.1006 23.9325 7.84749 -0.000162904 4.87171e-05 -0.00397421 18
5198 64 C 26.388 23.6707 6.51978 8.84245e-05 -0.00580536 -0.00375877 18
5199 65 C 27.2766 24.0297 5.33439 -0.00180975 -0.00329572 0.00216446 18
5200 66 C 26.594 23.6531 4.00935 0.000562392 -0.00255613 -0.00284032 18
5201 67 C 27.3323 24.2489 2.82353 0.000660487 -0.00417129 0.000886329 18
5202 68 C 26.7435 23.7031 1.50423 0.000397787 -0.00351415 0.00344463 18
5203 69 F 22.0388 25.9385 23.2199 0.00134138 0.00175227 -0.0012309 18
5204 70 C 23.2793 21.3547 14.5415 0.00598402 -0.000735027 0.0020958 18
5205 71 C 22.9926 22.1255 13.2708 0.00226038 0.000627168 0.00310605 18
5206 72 C 23.0114 21.2934 12.013 0.00319204 -0.00244656 0.00183313 18
5207 73 C 22.8428 22.1102 10.7233 0.00213357 -0.00355758 -0.00170442 18
5208 74 C 22.9716 21.2777 9.492 0.00101396 -0.000311493 0.000940651 18
5209 75 C 22.9077 22.1204 8.21134 -0.00440076 -0.00294685 -0.00223313 18
5210 76 C 23.3381 21.3292 6.97173 0.00108284 0.000775818 0.0001787 18
5211 77 C 23.1374 22.2155 5.70354 -0.00153123 0.00266163 0.0018268 18
5212 78 C 23.53 21.4347 4.4333 0.00308515 0.000778122 0.000522472 18
5213 79 C 22.968 22.1073 3.17998 0.00152349 0.00156788 0.00102609 18
5214 80 C 22.766 21.1498 2.02401 0.00459054 0.0013833 -0.00187845 18
5215 81 C 24.0464 20.5294 1.41636 -0.00111843 -0.00397109 -0.00227305 18
5216 82 C 25.4502 27.0356 15.2908 -0.00395368 0.00359637 0.001271 18
5217 83 C 25.3792 27.0845 13.7687 0.00405516 -0.00220787 0.00315505 18
5218 84 C 26.2095 28.1388 13.1 -0.00532856 0.000613907 -0.00280489 18
5219 85 C 26.4461 27.8983 11.5822 0.000350889 0.00240156 -0.00291634 18
5220 86 C 25.1962 28.2262 10.7199 -0.00198205 0.00101094 7.7074e-06 18
5221 87 C 25.3656 27.7857 9.26823 -0.000115599 -0.00292261 -0.00128702 18
5222 88 C 26.482 28.5412 8.55828 -0.00291286 -0.00111309 -0.00254219 18
5223 89 C 26.3038 28.6559 7.05028 -0.00152863 -0.00377421 0.000153852 18
5224 90 C 26.1283 27.2864 6.37432 -0.00351212 -0.000324857 0.00197328 18
5225 91 C 25.7189 27.4171 4.90082 0.00151305 0.0041605 0.00291058 18
5226 92 C 26.6704 28.2466 4.05762 -0.00181329 -0.00119546 0.0050196 18
5227 93 C 26.1048 28.4788 2.67325 0.00714703 -0.00338554 -0.00154343 18
5228 94 C 15.2742 23.3324 33.8539 -0.00143017 0.00257992 -0.000446799 18
5229 95 C 15.0735 23.8228 35.3061 0.00255505 0.00141558 -0.000194296 18
5230 96 C 13.6124 23.5997 35.8144 -9.93213e-06 0.000393688 0.000224539 18
5231 97 C 13.626 23.3154 37.3467 -0.000669774 -0.000998735 -0.00252347 18
5232 98 C 14.1958 24.4595 38.2047 -0.00268507 0.00411121 0.000261414 18
5233 99 C 14.6386 24.0012 39.6129 -0.00187164 -0.00248452 -0.00262734 18
5234 100 C 13.4211 23.743 40.5169 0.00204189 -0.00238426 0.000310504 18
5235 101 C 13.7608 23.4593 41.9909 0.00368325 -0.000681314 2.55606e-05 18
5236 102 C 14.2048 24.6825 42.8005 0.00426645 0.00443062 0.00125777 18
5237 103 C 14.6715 24.2111 44.1939 -0.00112993 -0.0010756 3.60179e-06 18
5238 104 C 13.5545 23.5599 45.0466 0.0020189 -0.00160397 -0.000817534 18
5239 105 C 13.9804 23.2409 46.4614 -0.000433853 0.00480975 0.000748008 18
5240 106 C 20.7855 27.4577 34.1528 0.00252141 0.00502958 -0.00258336 18
5241 107 C 20.8361 27.4853 35.723 0.00130982 0.00374608 0.00124148 18
5242 108 C 21.6628 28.6353 36.2891 -0.00212564 0.00140757 0.000169252 18
5243 109 C 21.5394 28.8393 37.821 -0.00175475 -3.18474e-05 -0.00251639 18
5244 110 C 21.773 27.5537 38.6411 -0.00246381 0.00175543 -0.000433875 18
5245 111 C 22.2393 27.7691 40.0975 0.00189002 0.00305681 -0.00259673 18
5246 112 C 21.2187 28.5285 40.9694 0.00136703 -0.000367632 -0.00386931 18
5247 113 C 21.821 28.9243 42.3206 -0.00520559 0.00146233 -0.00419212 18
5248 114 C 22.1723 27.7086 43.1907 0.00124157 -0.000194793 -0.00034225 18
5249 115 C 22.6605 27.9779 44.6403 -0.00155259 -0.00216418 -0.000828413 18
5250 116 C 21.5556 28.4609 45.5947 0.00359607 0.00231004 0.00524965 18
5251 117 C 22.1599 28.6878 46.9666 -0.00310148 -0.000152871 0.00359319 18
5252 118 C 21.4495 20.1962 34.537 0.00145573 0.0015962 -0.00213715 18
5253 119 C 20.9696 20.0798 36.0197 -0.00481114 -0.00135404 -0.0015113 18
5254 120 C 21.8964 19.112 36.8213 -0.000442209 0.00320224 -0.00168719 18
5255 121 C 21.4805 18.9581 38.2802 -0.00326903 -0.00212781 -0.000386772 18
5256 122 C 22.5155 18.2051 39.1044 -0.000689925 -0.00402354 0.00156682 18
5257 123 C 21.9838 17.8479 40.4823 -0.00197149 0.00550109 0.000327201 18
5258 124 C 21.805 19.055 41.4467 -0.00194956 -0.00379648 -0.00332784 18
5259 125 C 21.4266 18.5394 42.8558 0.00381054 0.0010431 0.00135059 18
5260 126 C 21.8719 19.4218 43.9876 -0.000843605 0.00351932 -0.000180344 18
5261 127 C 21.6671 18.7622 45.3562 0.00275741 -0.0054274 -0.00511665 18
5262 128 C 22.473 19.5291 46.4403 2.13745e-05 0.0057088 -0.0030834 18
5263 129 C 22.5459 18.8135 47.8076 0.0020376 -0.00451105 -0.00132931 18
5264 130 F 20.2715 25.7034 25.2148 -0.00248572 -0.000121654 0.00247635 18
5265 131 H 21.7695 27.8808 31.8265 0.00636473 0.00183444 0.00442137 18
5266 132 H 21.895 27.6959 29.429 0.00479484 0.00908325 0.0116392 18
5267 133 H 21.1175 25.6598 28.28 -0.00427325 0.0111355 -0.00150858 18
5268 134 H 14.7041 23.3737 31.3904 -0.0046356 -0.010449 -0.00831231 18
5269 135 H 15.0126 23.3132 29.005 -0.0105745 0.00578821 0.0100473 18
5270 136 H 17.2831 23.3305 28.0664 -0.0164569 0.0171739 -0.00125056 18
5271 137 H 21.9483 19.3794 32.1941 0.00323394 1.77538e-05 -0.00435484 18
5272 138 H 22.0943 19.4582 29.7565 -0.0052788 -0.000859533 -0.0044621 18
5273 139 H 21.2073 21.2591 28.4892 -0.00846356 -0.00537632 0.00127775 18
5274 140 H 23.4066 21.6347 24.119 -0.00380141 -0.00591561 -0.00211112 18
5275 141 H 21.8306 21.441 25.9297 0.0121436 0.000619119 0.00254656 18
5276 142 H 22.1059 19.8958 19.2037 -0.00381955 0.000944895 -0.00842496 18
5277 143 H 22.2015 20.1862 16.7386 0.00396073 -0.00898329 0.0052942 18
5278 144 H 23.0959 21.5134 20.7061 0.00765944 -0.0114358 -0.00344696 18
5279 145 H 29.3221 23.6865 20.2974 0.00357587 0.00813704 -0.00838346 18
5280 146 H 29.5179 23.8 17.8078 -0.00460646 0.00200537 -0.000969044 18
5281 147 H 27.0631 23.756 21.3909 -0.0121246 0.00341298 0.0017311 18
5282 148 H 22.8488 28.4168 19.8176 -0.00904802 -0.000958242 -0.00715056 18
5283 149 H 23.3195 28.5088 17.3178 -0.00575328 -0.000100725 0.00255374 18
5284 150 H 24.9972 24.18 16.2009 -0.0129225 0.00193808 -0.0021167 18
5285 151 H 23.4961 26.4339 21.1236 0.0123802 0.0220764 0.00302699 18
5286 152 H 19.389 23.6726 33.2209 0.0071764 -0.0119353 -0.00147524 18
5287 153 H 28.6903 22.8038 14.7676 0.00595154 0.00190773 0.0214929 18
5288 154 H 27.696 21.8275 15.8444 0.00172869 -0.00410442 -0.00458115 18
5289 155 H 25.6931 23.1251 14.5315 -0.00527582 0.00040174 -0.0146838 18
5290 156 H 26.439 21.6592 13.9195 -0.0238229 0.00532097 -0.000257271 18
5291 157 H 28.0842 22.9006 12.6204 0.00772788 0.00345703 0.00927079 18
5292 158 H 27.3733 24.4337 13.0553 0.0154309 -0.00363977 0.00928339 18
5293 159 H 25.3622 23.9633 11.8102 0.00316446 0.00149608 -0.0139924 18
5294 160 H 25.8073 22.2865 11.4989 0.0097643 -0.0106273 0.00714809 18
5295 161 H 27.8613 23.1912 10.3583 0.0103541 0.00846123 0.0189409 18
5296 162 H 27.1896 24.8286 10.5142 0.00382679 0.00264349 -0.0111917 18
5297 163 H 25.3516 24.2645 9.03391 0.00638465 0.00795268 -0.0087419 18
5298 164 H 25.8595 22.5246 8.92144 -0.00353595 0.00373257 0.0209961 18
5299 165 H 28.0327 23.3541 7.84095 0.00159627 0.00280228 0.00391266 18
5300 166 H 27.466 24.9655 7.89989 -0.00711079 0.00190365 0.0074379 18
5301 167 H 25.4742 24.2775 6.53079 0.00512449 0.00173573 -0.000952865 18
5302 168 H 26.092 22.6144 6.51646 -0.0083557 -0.00351386 0.011833 18
5303 169 H 28.209 23.4549 5.39503 -0.0151978 -0.0260506 -0.00761843 18
5304 170 H 27.6068 25.0758 5.3382 -0.00187833 -0.00320992 -0.0149125 18
5305 171 H 25.5798 24.0704 3.98321 0.00170911 4.80901e-05 -0.00584018 18
5306 172 H 26.4605 22.5649 3.97088 -0.00239137 -0.0024904 0.00508908 18
5307 173 H 28.3995 24.024 2.94178 0.00219587 0.00491319 0.00440669 18
5308 174 H 27.2413 25.3404 2.76378 -0.006786 -0.00521875 -0.00721866 18
5309 175 H 25.7149 24.0741 1.4154 0.00722162 0.0128561 -0.00748271 18
5310 176 H 26.7506 22.6067 1.46787 0.023259 -0.00275314 -0.0145863 18
5311 177 H 27.2744 24.1317 0.645273 -0.00198421 0.0123483 0.0098653 18
5312 178 H 24.2577 20.8604 14.5002 0.0144871 0.0158935 0.00465731 18
5313 179 H 22.5246 20.5761 14.708 0.00531381 0.00131618 0.00864879 18
5314 180 H 22.0454 22.6714 13.3609 -0.000492649 -0.00740172 0.0226572 18
5315 181 H 23.7617 22.904 13.1935 0.0031723 -0.000460975 0.00124006 18
5316 182 H 23.9593 20.7412 12.0094 0.000439725 -0.00728179 0.0141209 18
5317 183 H 22.1798 20.5852 12.1142 0.00766227 -0.0075239 0.00300792 18
5318 184 H 21.8473 22.5684 10.7718 0.000733386 -0.00678962 0.000208215 18
5319 185 H 23.6352 22.8688 10.7149 -0.00352097 0.00211958 -0.0187349 18
5320 186 H 23.9512 20.7889 9.56079 -0.00212565 -0.00698197 -0.00181672 18
5321 187 H 22.1997 20.4985 9.5117 0.007912 -0.0073444 -0.00728804 18
5322 188 H 21.8561 22.4161 8.11079 -0.00788314 -0.01056 0.0116736 18
5323 189 H 23.4819 23.0534 8.26882 0.0182102 -0.0158106 -0.0195488 18
5324 190 H 24.407 21.0927 7.04117 -0.00104078 -0.0102385 -0.0047008 18
5325 191 H 22.8097 20.3706 6.89977 0.000621638 0.00129448 -0.00333815 18
5326 192 H 22.0701 22.4577 5.62896 -0.00251755 -9.5204e-05 0.00694806 18
5327 193 H 23.7419 23.1304 5.7347 0.00837951 -0.00421081 0.0115893 18
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5340 206 H 24.33 27.2044 13.4715 0.00353219 0.00661904 0.00862004 18
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5350 216 H 27.4159 28.0455 8.8506 -0.00823082 -0.00710545 0.00433953 18
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5360 226 H 26.0132 27.5295 2.13121 -0.00370802 -0.00536913 0.00374146 18
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5364 230 H 15.7168 23.2639 35.9969 -0.00454185 -0.00169044 0.00392195 18
5365 231 H 15.3131 24.8926 35.3452 0.013475 -0.00128342 0.00641185 18
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5370 236 H 15.1096 24.8464 37.737 0.000805483 0.00274201 0.00591437 18
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5380 246 H 15.4371 23.4376 44.0561 -0.000616451 -0.00190092 0.00751996 18
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5385 251 H 13.1476 22.7733 47.0009 0.00769499 -0.00854781 0.00172276 18
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5389 255 H 19.7977 27.586 36.062 0.00445902 0.00331543 0.0109476 18
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5395 261 H 20.9087 26.8787 38.6136 -0.00701568 0.00831427 -0.0174368 18
5396 262 H 22.5565 26.9632 38.1503 -0.0152798 -0.0209626 0.00639318 18
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5399 265 H 20.9392 29.4822 40.5049 -0.00371037 -0.0120943 -0.024788 18
5400 266 H 20.3106 27.9224 41.0758 0.000783222 0.00327141 0.0117684 18
5401 267 H 22.7288 29.5098 42.1295 -0.00781619 0.0079578 0.00328564 18
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5404 270 H 22.9796 27.1659 42.6836 0.00270851 0.00573775 -0.00436988 18
5405 271 H 23.0511 27.0358 45.0442 -0.0112353 -0.00987783 -0.00946616 18
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5409 275 H 22.4262 27.7349 47.4404 -0.00045996 -0.00737632 -0.0124748 18
5410 276 H 23.098 29.2528 46.9031 -0.00122896 -0.00334586 0.00276443 18
5411 277 H 21.4848 29.157 47.6929 0.00517958 0.0117243 0.00360071 18
5412 278 H 21.3524 19.204 34.0792 -0.00498526 2.91712e-05 0.00261792 18
5413 279 H 22.5084 20.4825 34.5252 0.00140695 0.00217031 0.00692828 18
5414 280 H 19.9327 19.7229 35.9898 -0.00440728 -0.00507079 0.0304555 18
5415 281 H 20.8886 21.0347 36.5535 -0.00544823 -0.000682025 -0.00281075 18
5416 282 H 22.9251 19.4913 36.7853 0.00153839 -0.0012425 0.00831054 18
5417 283 H 21.9834 18.1407 36.319 -6.54157e-05 0.00424587 -0.00364516 18
5418 284 H 20.5136 18.4406 38.2532 -0.000628546 -0.00703775 -0.00105044 18
5419 285 H 21.3482 19.9501 38.7294 0.00934401 0.00278936 -0.00750333 18
5420 286 H 23.4599 18.7422 39.2563 0.00531562 -0.0116626 -0.00875135 18
5421 287 H 22.8047 17.2579 38.6326 -0.00389051 -0.00506856 0.00171333 18
5422 288 H 22.6963 17.1138 40.8784 -0.00458664 -0.00117974 -0.00729936 18
5423 289 H 21.0518 17.2849 40.3491 -0.000837068 0.00323216 0.00196003 18
5424 290 H 21.0262 19.7103 41.0374 0.00549155 -0.0012571 -0.0134301 18
5425 291 H 22.7789 19.5591 41.4759 -0.00030222 -0.00832078 0.0198455 18
5426 292 H 21.8196 17.5337 43.0497 -0.00503963 -0.00245679 0.00118769 18
5427 293 H 20.3402 18.3959 42.9064 0.00706144 -0.0234317 0.00244083 18
5428 294 H 21.363 20.3926 43.943 -0.0102124 -0.00186902 -0.0103277 18
5429 295 H 22.9271 19.6784 43.8322 0.00181633 -0.00184111 0.00909637 18
5430 296 H 22.1226 17.7653 45.3091 -0.00603042 -0.00943437 -0.00505174 18
5431 297 H 20.5994 18.6513 45.5819 0.00213727 0.00679393 -0.00207092 18
5432 298 H 22.0185 20.5018 46.6654 -0.0084282 -0.000632943 0.00741923 18
5433 299 H 23.5173 19.6737 46.137 0.00277635 -0.0140241 -0.0030146 18
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5435 301 H 21.5462 18.8055 48.2591 0.00291726 0.0135638 0.000981065 18
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5438 2 C 25.2784 20.3707 29.4686 -0.00163622 -0.0013377 -0.00276202 19
5439 3 C 24.8159 19.2437 28.8135 -0.000655868 0.006979 -0.00410106 19
5440 4 C 24.2766 18.1602 29.5494 0.00309743 0.00292533 -0.00197142 19
5441 5 C 24.1704 18.2094 30.9491 -0.000462446 0.0016817 0.000941225 19
5442 6 C 24.6631 19.3492 31.6291 -0.00257433 -0.00117033 0.00213359 19
5443 7 C 19.7556 16.5383 30.5513 -0.000680124 -0.000228603 0.000545628 19
5444 8 C 19.8917 16.504 29.1378 0.00350897 0.00570006 0.0023098 19
5445 9 C 21.1427 16.5777 28.554 0.000570822 0.000571588 0.00354132 19
5446 10 C 22.2499 16.8416 29.3698 -0.0021866 0.00510757 0.000948824 19
5447 11 C 22.1306 16.8932 30.7831 -0.00256503 0.00235829 -0.00156662 19
5448 12 C 20.8381 16.7261 31.3899 0.000890613 -0.00115387 0.000500579 19
5449 13 C 25.301 13.5091 30.9376 0.000933847 0.00419905 0.00172218 19
5450 14 C 25.4457 13.4966 29.5674 0.00219154 -0.000537319 -0.00251889 19
5451 15 C 24.8939 14.5906 28.8554 -0.00232993 0.00106704 0.00260265 19
5452 16 C 24.3065 15.674 29.5288 -0.00091828 0.002229 -0.00424101 19
5453 17 C 23.6952 16.8887 28.867 0.00560378 0.00448272 0.00662048 19
5454 18 O 24.6338 14.4773 33.0443 0.00115827 -0.00209926 0.00375085 19
5455 19 O 20.7269 16.8236 32.754 -0.00286631 -0.000611954 -0.000312151 19
5456 20 O 24.5957 19.5114 33.0466 -0.00248588 -0.000775669 -0.000695007 19
5457 21 C 24.6819 14.5374 31.6321 0.000873781 0.00613016 -0.00262938 19
5458 22 C 23.9342 16.9043 27.3766 -0.00190488 -0.00264623 0.000781695 19
5459 23 C 24.381 17.0167 26.2573 0.00123524 -0.00181888 -0.000232136 19
5460 24 C 25.1509 17.1143 25.0582 0.000310938 0.000431175 0.00032747 19
5461 25 C 25.641 18.346 24.5898 0.00260068 0.00467039 -0.00056208 19
5462 26 C 26.5195 18.3963 23.4804 0.000751443 3.63221e-05 -0.000802923 19
5463 27 C 26.9954 17.2082 22.9254 0.00321536 -0.00215982 0.00427815 19
5464 28 C 26.5624 15.9686 23.4746 0.00046234 -0.00400413 -0.00328312 19
5465 29 C 25.67 15.9141 24.5379 0.000906321 -0.00100381 -0.00189752 19
5466 30 C 27.7906 17.2112 21.7468 -0.000909285 -0.000498493 0.00075628 19
5467 31 C 28.2854 17.2572 20.6561 0.00260192 0.00345574 0.0003839 19
5468 32 C 27.6711 13.52 18.6988 0.0014374 -0.00400566 -0.00353065 19
5469 33 C 28.1079 13.3954 17.3876 0.00275398 -0.00174406 0.00176888 19
5470 34 C 28.2938 14.5538 16.6174 -0.00021446 -0.000702397 -0.00303596 19
5471 35 C 28.2125 15.8342 17.2001 -0.00239515 -0.00196345 -0.000794225 19
5472 36 C 28.0674 15.9278 18.5903 0.00512509 0.00207461 -0.00200869 19
5473 37 C 27.6592 14.7785 19.3237 0.00455051 -0.000912091 -0.00191937 19
5474 38 C 28.5018 17.2488 19.1934 0.000649645 -0.00154682 -0.00192573 19
5475 39 C 32.3701 17.2932 18.8615 0.000981484 0.00202985 -0.00274114 19
5476 40 C 32.449 17.4237 17.4365 -0.00344038 -0.00083139 -0.00153988 19
5477 41 C 31.2794 17.386 16.648 -0.00178837 0.00011391 -0.00057523 19
5478 42 C 30.0465 17.3277 17.2892 0.000122232 -0.0010219 -0.00239522 19
5479 43 C 29.9691 17.325 18.7014 -0.00173464 0.0036934 0.00214282 19
5480 44 C 31.1345 17.333 19.4677 0.00158048 0.000147361 -0.00351457 19
5481 45 C 26.2209 20.2306 18.3458 -0.000184336 -0.000659295 0.00306833 19
5482 46 C 26.2651 20.1936 16.9574 -0.00104293 0.00116803 0.00279171 19
5483 47 C 27.0736 19.2608 16.2644 -0.00240252 0.000901266 -0.00360477 19
5484 48 C 27.7802 18.281 17.0785 0.000598514 -0.00276579 0.000513281 19
5485 49 C 28.6796 17.1394 16.5664 0.00145896 0.00102518 0.00472691 19
5486 50 C 27.6812 18.35 18.4763 -0.00201228 -0.000662092 -0.00209191 19
5487 51 C 26.9402 19.3289 19.1246 0.00298219 -0.00330072 0.0010303 19
5488 52 O 31.3125 17.5127 15.2725 -0.00115449 0.00102012 0.000831255 19
5489 53 O 28.7037 14.4634 15.2908 0.00533831 -0.00277721 -0.000801544 19
5490 54 O 27.0349 19.4838 14.9157 -2.7028e-05 0.000776326 -0.00355641 19
5491 55 C 23.5073 16.9401 31.5203 0.00181631 -0.00568483 0.00163498 19
5492 56 C 24.2548 15.6956 30.9257 0.00152358 -0.00228914 -0.000102421 19
5493 57 C 31.331 16.4117 14.36 0.00143166 0.00195238 0.000393405 19
5494 58 C 30.4832 16.8831 13.1068 -0.000180136 0.00236716 0.00126577 19
5495 59 C 30.9866 16.3123 11.7515 -0.00109053 -0.00207215 0.00139143 19
5496 60 C 30.1948 16.8434 10.5155 -0.00022033 -0.00204373 -0.00101734 19
5497 61 C 30.7455 16.4268 9.12939 -0.00566733 -0.000819918 -0.0024933 19
5498 62 C 29.9179 17.025 7.94805 0.001326 0.00405063 0.00214574 19
5499 63 C 30.399 16.4619 6.56725 -0.00179931 -0.00106938 -0.000473756 19
5500 64 C 31.7012 17.091 6.0512 3.47437e-05 -0.000641039 -0.00392516 19
5501 65 C 32.079 16.5155 4.64803 -0.00164712 0.00257563 -0.00059533 19
5502 66 C 31.187 17.0249 3.54733 0.00243863 0.00474453 0.000314764 19
5503 67 C 31.7027 16.6371 2.16327 0.0056221 -0.00323299 -0.00330372 19
5504 68 C 30.6357 16.6512 1.06973 0.000517633 -0.0023978 0.00440412 19
5505 69 F 26.9465 19.6378 23.0406 0.000663198 -0.000190677 -0.00067774 19
5506 70 C 28.9042 13.1814 14.5838 -0.00539733 -0.0037051 -0.000250734 19
5507 71 C 29.4555 13.4835 13.2092 0.00168356 -0.000313267 0.00550917 19
5508 72 C 29.4157 12.2897 12.2248 0.00248814 0.000152787 0.000621194 19
5509 73 C 29.5315 12.7719 10.7245 0.0028175 0.00357575 -0.000404954 19
5510 74 C 30.0102 11.7086 9.69561 -0.000513284 0.000333268 0.00129295 19
5511 75 C 30.2571 12.3275 8.33257 0.00194408 -0.00242636 -0.000866333 19
5512 76 C 30.6874 11.2319 7.37579 0.00065355 0.00109667 0.000533708 19
5513 77 C 31.0707 11.6478 5.91098 0.00209332 -0.00054855 -0.00300598 19
5514 78 C 29.825 12.1079 5.1451 0.00167765 0.00165645 -0.00134195 19
5515 79 C 29.9116 12.0199 3.59881 -0.000296289 -0.00502779 0.00558826 19
5516 80 C 30.7259 13.1362 2.97569 0.00218725 0.00131041 0.00285069 19
5517 81 C 30.5748 13.0748 1.45387 -0.0011787 -0.0024284 0.0049785 19
5518 82 C 27.5091 18.7282 13.7996 0.00462532 -0.0015152 -0.000682866 19
5519 83 C 27.0391 19.4667 12.5081 0.00389816 -0.00274625 0.000612188 19
5520 84 C 27.1287 18.6324 11.1912 -0.0016051 -0.000334535 0.00284413 19
5521 85 C 26.2229 19.2717 10.1098 -0.00290428 0.000860348 -0.00432753 19
5522 86 C 26.4962 18.8392 8.64029 -0.00130028 -0.00109692 0.00193754 19
5523 87 C 27.5191 19.7437 7.9078 -0.00172189 0.00268583 -0.00307981 19
5524 88 C 27.8578 19.3056 6.49044 -0.00024218 0.000484962 -0.00011424 19
5525 89 C 26.7749 19.707 5.4652 -0.00166872 -0.00297929 0.00183884 19
5526 90 C 27.3695 20.0534 4.12089 -0.000270417 0.00071984 -0.000698402 19
5527 91 C 28.1687 18.9329 3.45075 -0.00116839 -0.000417819 -0.000544967 19
5528 92 C 27.4068 18.2159 2.30233 -0.0018492 0.00243557 0.00150756 19
5529 93 C 27.2937 19.0367 0.99675 -0.00228143 -0.000681387 -0.0027246 19
5530 94 C 19.5078 16.5355 33.3741 -0.00125025 0.00509359 0.000979852 19
5531 95 C 19.5375 17.0231 34.8173 -0.0042327 -0.00512576 -0.000308606 19
5532 96 C 18.1757 16.7988 35.4614 -0.003493 -0.00256553 0.00293232 19
5533 97 C 18.1113 17.042 36.9789 -0.000924183 -0.00171182 -0.00227343 19
5534 98 C 18.986 16.0898 37.8587 0.000144805 -0.00472749 -0.00186961 19
5535 99 C 18.4563 15.7903 39.294 0.00427279 0.00282706 0.000863506 19
5536 100 C 17.9787 17.0483 40.0784 0.00203581 0.00262273 0.00215883 19
5537 101 C 18.4795 17.177 41.5299 0.0007581 0.00233376 -0.000426153 19
5538 102 C 17.6123 16.5357 42.6547 0.00148427 0.000709968 -0.00145447 19
5539 103 C 18.1912 16.907 44.0758 -0.00195266 -0.00304989 -0.00323775 19
5540 104 C 17.1882 16.5578 45.2167 0.00256091 -0.0070245 0.00130151 19
5541 105 C 17.5749 17.2335 46.5344 0.00259635 0.00250602 0.000873957 19
5542 106 C 25.5368 20.4354 33.6949 -0.00305614 -0.00372295 -0.00184109 19
5543 107 C 25.4019 20.42 35.2227 0.00386511 -2.06932e-05 -0.00163879 19
5544 108 C 25.8153 21.7614 35.8902 -0.00330866 -0.00380521 0.000620463 19
5545 109 C 25.9813 21.746 37.4248 0.00518814 -0.00127766 -0.00260202 19
5546 110 C 24.7605 21.112 38.1579 0.00349819 0.000331912 -0.00353013 19
5547 111 C 24.5189 21.6311 39.5372 0.00230449 0.00109083 0.000640768 19
5548 112 C 25.598 21.2687 40.6009 0.00112573 0.000489862 0.000401634 19
5549 113 C 24.9869 21.6642 41.9751 -0.000475748 -0.00175801 0.000558759 19
5550 114 C 25.8409 21.3845 43.1881 0.00123649 0.00035183 0.000955861 19
5551 115 C 25.1606 21.7729 44.4871 -0.00229262 0.000455854 0.00567331 19
5552 116 C 25.8689 21.116 45.7222 0.00288909 -0.0025666 -0.00300107 19
5553 117 C 25.2352 21.5633 47.0211 0.00190666 0.0015205 -0.000319452 19
5554 118 C 25.1111 13.3052 33.8188 -0.00570504 -0.00139145 -0.00469916 19
5555 119 C 25.2388 13.7014 35.2987 -0.00349708 0.00515009 -0.000282256 19
5556 120 C 25.3765 12.5734 36.321 -0.00051058 0.00450599 0.000930844 19
5557 121 C 25.8205 13.1135 37.673 0.00661025 0.00195275 0.00418735 19
5558 122 C 25.9071 12.0532 38.7658 -0.00166494 -0.00060043 0.000849155 19
5559 123 C 26.2081 12.7015 40.096 0.00137677 -0.00477369 -0.000215705 19
5560 124 C 25.766 11.8356 41.2886 -0.00168542 -0.000462097 -0.00175728 19
5561 125 C 25.9841 12.571 42.6254 0.00202249 -0.00191529 -0.000217093 19
5562 126 C 25.2682 11.9221 43.7968 -0.00103925 -0.00216432 0.00335653 19
5563 127 C 25.8169 12.4538 45.1609 0.000471092 -8.16475e-05 0.00126442 19
5564 128 C 25.1296 11.9619 46.4364 -0.00360987 -0.00175868 0.00227911 19
5565 129 C 26.0256 12.0449 47.6746 -0.00459709 0.00318518 -0.00122606 19
5566 130 F 25.302 19.5639 25.1493 0.00287588 0.00115939 -0.0029415 19
5567 131 H 25.6494 21.3187 31.3001 -5.74015e-05 0.00124006 0.0118509 19
5568 132 H 25.5767 21.268 28.9346 0.0128094 -0.00212558 0.00401016 19
5569 133 H 24.8342 19.2802 27.7283 0.0105346 0.00119985 -0.00410091 19
5570 134 H 18.7616 16.4078 30.9688 -0.000617201 -0.021699 -0.00603401 19
5571 135 H 19.0252 16.3007 28.5155 -0.00278878 -0.00151446 0.0134215 19
5572 136 H 21.2723 16.4626 27.4819 -0.0296084 0.0262733 -0.00283707 19
5573 137 H 25.6865 12.6681 31.5064 -0.0021994 0.000899311 -0.00104504 19
5574 138 H 25.9147 12.6742 29.0353 0.00830254 0.00231894 -0.00154584 19
5575 139 H 24.917 14.5675 27.7699 -0.0188151 -0.000854014 0.00228436 19
5576 140 H 26.8593 15.0423 22.9915 0.00577252 -0.00348804 -0.000994925 19
5577 141 H 25.363 14.9535 24.9409 0.00137894 0.00311832 0.00828807 19
5578 142 H 27.5661 12.6241 19.3036 -0.00971435 -0.00246769 -0.00322074 19
5579 143 H 28.3096 12.4103 16.9776 -0.00741264 0.000360162 -0.00828111 19
5580 144 H 27.4201 14.8259 20.382 -0.0118844 0.0236414 -0.00671126 19
5581 145 H 33.256 17.3094 19.4894 -0.00406135 0.000820559 0.00440898 19
5582 146 H 33.4173 17.4092 16.9449 -0.00449154 -0.0054296 -0.00348499 19
5583 147 H 31.0663 17.3774 20.5506 -0.00792374 0.0044705 -0.00428184 19
5584 148 H 25.6572 21.0164 18.84 0.00531395 0.00681782 -0.00253502 19
5585 149 H 25.6809 20.8769 16.3482 -0.0158515 -0.00824167 0.00643006 19
5586 150 H 28.8151 17.1428 15.4778 0.00513449 0.00800525 0.00518773 19
5587 151 H 26.9623 19.4406 20.2046 -0.0019516 0.0170907 -0.000976124 19
5588 152 H 23.4679 16.8871 32.6153 0.00634294 -0.00418095 0.00187202 19
5589 153 H 32.3338 16.0964 14.0464 0.00220084 -0.00487251 0.00971174 19
5590 154 H 30.8729 15.5181 14.8015 0.00203012 -0.00449279 -0.0119993 19
5591 155 H 30.4672 17.9767 13.0226 -0.00538662 0.00176665 -0.00565553 19
5592 156 H 29.4427 16.5562 13.2251 0.00085824 -0.00318319 -0.00486353 19
5593 157 H 30.8153 15.2305 11.813 -0.00205669 -0.00275721 -0.0136482 19
5594 158 H 32.0636 16.5014 11.6628 -0.000345846 -0.00396332 0.00636944 19
5595 159 H 30.1919 17.94 10.5428 -0.00752836 -0.0018605 -0.00925734 19
5596 160 H 29.1672 16.481 10.6434 -0.00126466 0.000733006 -0.00156825 19
5597 161 H 30.709 15.3356 9.02248 -0.00524625 -0.00181527 0.00763788 19
5598 162 H 31.7897 16.7312 8.98682 -0.00294387 -0.00907437 -0.000147808 19
5599 163 H 30.0172 18.1175 7.95647 -0.0107934 0.0051806 -0.0017973 19
5600 164 H 28.857 16.819 8.13616 0.00240559 -0.00318705 0.000278372 19
5601 165 H 29.6138 16.6655 5.82871 0.00641781 -0.00083896 -0.0091358 19
5602 166 H 30.5024 15.3702 6.59621 -0.0031065 -0.00140087 -0.00813038 19
5603 167 H 32.5215 16.9103 6.75683 0.000845087 -0.0115437 -0.00765819 19
5604 168 H 31.5601 18.1762 5.97558 -0.0019366 -2.05581e-05 0.00867121 19
5605 169 H 31.9811 15.4241 4.69902 -0.0135375 0.00348519 -0.00384953 19
5606 170 H 33.1213 16.807 4.46931 0.00149309 0.00104368 0.0150277 19
5607 171 H 31.1322 18.1168 3.63773 0.00712547 0.00518036 -0.00205798 19
5608 172 H 30.1965 16.5645 3.64819 -2.88711e-05 0.00964948 -0.00157828 19
5609 173 H 32.0496 15.5967 2.13774 -0.00757466 -0.00760943 -0.00529408 19
5610 174 H 32.5373 17.2813 1.86024 -0.00151839 0.00963433 0.00440261 19
5611 175 H 31.1258 16.4641 0.106286 -0.0117625 -0.00709462 -0.000912578 19
5612 176 H 30.1191 17.6183 1.03315 -0.0046531 -0.00553197 -0.00534385 19
5613 177 H 29.8936 15.8723 1.28422 -0.0042269 0.00319849 0.00833216 19
5614 178 H 29.5958 12.5268 15.1285 0.00845313 0.00326014 -0.00948172 19
5615 179 H 27.9459 12.65 14.5307 -0.00318337 -0.00751941 -0.00194065 19
5616 180 H 28.8826 14.3126 12.7758 0.00572293 0.00379562 0.00803994 19
5617 181 H 30.4906 13.8189 13.3488 0.00289311 0.0036509 -0.0129445 19
5618 182 H 30.2208 11.5803 12.4525 -6.63966e-05 -0.00159051 0.00422494 19
5619 183 H 28.4988 11.7085 12.3826 -0.000484729 -0.000741792 -0.0200476 19
5620 184 H 28.5401 13.1246 10.4145 0.00434872 0.0047736 -0.00391758 19
5621 185 H 30.2446 13.5992 10.6223 -0.0041848 0.00778388 -0.0151872 19
5622 186 H 30.9543 11.2285 9.98127 -0.00852771 -0.00327247 0.0215476 19
5623 187 H 29.2231 10.9514 9.5933 -0.00198316 0.000918442 0.00828669 19
5624 188 H 29.2975 12.7449 8.00324 -0.00310144 -0.0158155 -0.00319675 19
5625 189 H 31.0288 13.1055 8.38161 -0.00300439 0.00187195 0.00871939 19
5626 190 H 31.603 10.8087 7.80704 0.0047316 0.00633072 -0.00296136 19
5627 191 H 29.9133 10.4547 7.37538 -0.00969361 0.011389 0.016668 19
5628 192 H 31.8039 12.463 5.87717 -0.00641322 0.00746108 0.00542538 19
5629 193 H 31.4865 10.784 5.37767 -0.00462029 -0.00837802 0.00443859 19
5630 194 H 28.9301 11.5604 5.4656 0.00600142 -0.00285101 0.00299883 19
5631 195 H 29.6828 13.156 5.4362 -0.011302 -0.000503649 2.2624e-05 19
5632 196 H 30.2907 11.0264 3.32908 -0.00100233 -0.00441721 0.00236176 19
5633 197 H 28.886 12.0716 3.21309 8.51269e-05 0.0117416 0.00679032 19
5634 198 H 30.3751 14.1057 3.35038 0.00734347 0.00343294 0.00219462 19
5635 199 H 31.7646 13.0694 3.32221 0.00338827 0.013255 0.00156861 19
5636 200 H 31.3065 13.7562 1.00253 0.00583734 -0.010915 0.00352632 19
5637 201 H 30.7953 12.0707 1.07105 0.00520548 -0.00614917 0.0184407 19
5638 202 H 29.5694 13.3338 1.09968 -0.00145902 -0.00303409 0.00533143 19
5639 203 H 28.6001 18.6858 13.9069 0.0040887 0.00684592 0.00824448 19
5640 204 H 27.1143 17.7064 13.8593 0.00146156 -0.000801179 -0.00956733 19
5641 205 H 26.013 19.8357 12.6284 9.39163e-06 -0.0121252 -0.0038487 19
5642 206 H 27.6343 20.3815 12.3973 -0.00470581 0.00322049 0.00376477 19
5643 207 H 28.1798 18.6122 10.8778 -0.00535542 0.0040602 -0.00997392 19
5644 208 H 26.7879 17.5932 11.2767 -0.00886011 0.00236087 0.00665172 19
5645 209 H 25.1784 19.0546 10.3654 -0.000274457 0.00929126 0.0135721 19
5646 210 H 26.3178 20.363 10.1687 -0.00921609 0.00150742 -0.00615984 19
5647 211 H 26.889 17.8151 8.62476 0.00492646 0.00144294 -0.00801148 19
5648 212 H 25.5713 18.8535 8.05054 0.00791412 0.0119299 -0.0122307 19
5649 213 H 27.2316 20.8017 7.9471 0.00170027 0.00348755 0.000531636 19
5650 214 H 28.4682 19.6878 8.45508 -0.000938164 -0.00626502 -0.00535178 19
5651 215 H 28.7802 19.8435 6.23887 0.00414397 -0.00329233 0.00791018 19
5652 216 H 28.0202 18.2278 6.36579 0.0089225 0.0019105 -0.000435102 19
5653 217 H 26.064 18.8733 5.4099 0.00126781 -0.00438916 -0.0143503 19
5654 218 H 26.2631 20.6164 5.8034 -0.00546523 -0.00416974 -0.000716559 19
5655 219 H 26.5771 20.4015 3.44684 -0.000461872 -0.0168641 -0.00955649 19
5656 220 H 28.079 20.8845 4.21772 0.0144312 -0.0122767 0.00333047 19
5657 221 H 29.0817 19.3141 2.97688 -0.000186273 0.0097588 0.00960183 19
5658 222 H 28.5812 18.2156 4.17092 -0.00806353 -0.00279443 0.00101596 19
5659 223 H 27.9064 17.2638 2.08445 -0.00972546 -0.000616141 -0.00323329 19
5660 224 H 26.4134 17.936 2.67416 0.000620926 -0.00145812 0.00519088 19
5661 225 H 26.5758 18.4978 0.366198 -0.0031297 -0.0130849 0.00878866 19
5662 226 H 26.8786 20.026 1.22566 0.00715339 0.00118261 0.00635728 19
5663 227 H 28.2493 19.1731 0.475618 0.000224629 -0.0146806 -0.00176842 19
5664 228 H 18.7106 17.0767 32.8498 -0.000425855 0.00539701 3.75808e-05 19
5665 229 H 19.271 15.4645 33.356 0.00490613 0.00371076 0.00252732 19
5666 230 H 20.2812 16.4377 35.3719 0.00453026 -0.000415077 -0.00710677 19
5667 231 H 19.8482 18.0748 34.8454 0.023597 -0.0130387 -0.0104302 19
5668 232 H 17.384 17.3345 34.9232 0.00589319 0.000813611 -0.00751494 19
5669 233 H 17.9467 15.7347 35.3251 0.00898293 -0.00487373 -1.69728e-05 19
5670 234 H 18.3501 18.0886 37.2044 -0.00102771 -0.00321307 0.00479591 19
5671 235 H 17.0634 16.9061 37.2736 0.00259376 0.0018459 0.0118813 19
5672 236 H 19.0952 15.1281 37.3424 0.00526652 -0.00182956 -0.00619919 19
5673 237 H 20.0099 16.4836 37.8691 -0.00612465 0.0113341 0.00712487 19
5674 238 H 17.6412 15.0721 39.1417 0.00426916 0.00409663 -0.00518244 19
5675 239 H 19.2464 15.2672 39.8466 0.0156591 0.00352042 -0.0147375 19
5676 240 H 18.3895 17.8991 39.5208 -0.0137627 0.00319876 -0.00860923 19
5677 241 H 16.8881 17.1254 39.989 0.00169934 0.00388744 0.00745738 19
5678 242 H 19.5118 16.8335 41.6699 0.00624303 0.0178394 -0.00265199 19
5679 243 H 18.5403 18.2652 41.6542 -0.0146552 0.00347721 -0.00295978 19
5680 244 H 16.5534 16.8108 42.5736 0.000266354 -0.00426244 -0.00250439 19
5681 245 H 17.6257 15.4427 42.5623 -0.0178822 0.000366335 -0.000298699 19
5682 246 H 19.1876 16.5053 44.2976 -0.00189901 -0.00155058 -0.000735939 19
5683 247 H 18.3163 17.9942 44.151 -0.00495254 -0.00177034 -0.0170586 19
5684 248 H 16.1677 16.8227 44.9137 0.00249363 -0.00926633 -0.000446686 19
5685 249 H 17.1864 15.4667 45.3308 0.00985894 -0.00636257 0.00764385 19
5686 250 H 18.59 16.9848 46.8678 -0.00287775 -0.0152823 0.0042214 19
5687 251 H 17.4949 18.3183 46.3926 0.016913 0.00376864 0.00261291 19
5688 252 H 16.8088 16.9996 47.2839 0.00441855 -0.00951644 -0.00103349 19
5689 253 H 26.5506 20.11 33.4309 -0.000500641 -0.00780957 0.013011 19
5690 254 H 25.44 21.4838 33.3868 -0.00546105 -0.00121893 0.00739359 19
5691 255 H 24.3567 20.172 35.4451 0.00321635 -0.00129704 -0.00607947 19
5692 256 H 26.0298 19.5853 35.5578 -0.00198346 -0.00144608 0.00572719 19
5693 257 H 26.7729 22.1122 35.4859 -0.00246053 -0.00593641 0.000775239 19
5694 258 H 25.0324 22.4843 35.6298 0.00389905 0.00471763 0.00267798 19
5695 259 H 26.8349 21.1535 37.7766 0.00771729 0.00647302 0.00432152 19
5696 260 H 26.1452 22.7863 37.7319 -0.00383827 -0.00568716 0.0170869 19
5697 261 H 23.8539 21.3514 37.5884 -0.00614789 -0.0102758 0.00739346 19
5698 262 H 24.9289 20.0321 38.0641 -0.0265897 -0.00630261 0.0205337 19
5699 263 H 24.3862 22.7187 39.483 -0.0201868 -0.00189102 -0.00392119 19
5700 264 H 23.5788 21.1302 39.7996 0.0121044 -0.0209186 -0.00602285 19
5701 265 H 25.7787 20.1868 40.6175 0.0175334 0.00319867 -0.00239553 19
5702 266 H 26.5483 21.7627 40.3638 -0.00202148 -0.000829804 -0.0150494 19
5703 267 H 24.8693 22.7537 41.9258 -0.0190493 -0.00405355 -0.00505656 19
5704 268 H 24.0288 21.1751 42.1903 -0.00423852 0.00648257 0.00251596 19
5705 269 H 26.1074 20.3204 43.1926 0.0022253 0.000562649 -0.00710781 19
5706 270 H 26.8045 21.9088 43.1789 -0.00249329 0.00714672 -0.00122888 19
5707 271 H 25.1213 22.8602 44.6274 0.0105524 0.00275214 -0.00875297 19
5708 272 H 24.125 21.414 44.533 -0.00289978 0.000906555 -0.0050519 19
5709 273 H 25.7349 20.0293 45.6552 -0.00890341 -0.00213956 0.0132814 19
5710 274 H 26.9304 21.3914 45.7494 0.00129065 0.00279344 0.00548514 19
5711 275 H 24.1483 21.6833 46.934 0.00312791 0.00573757 -0.00973963 19
5712 276 H 25.397 20.8603 47.8475 -0.0157448 -0.00293226 -0.000612163 19
5713 277 H 25.6112 22.5773 47.2052 -0.00353903 0.00369685 -0.00115112 19
5714 278 H 24.4022 12.4793 33.6827 0.00486836 -0.0122372 0.00611487 19
5715 279 H 26.1067 12.9461 33.53 0.000751353 -0.00182579 0.0179587 19
5716 280 H 24.3559 14.3166 35.5118 -0.00811128 -0.00335708 0.00511561 19
5717 281 H 26.1076 14.3659 35.3825 0.000830932 -0.000281302 -0.00209299 19
5718 282 H 26.0315 11.7798 35.9409 0.00195412 0.00328982 0.00773978 19
5719 283 H 24.3631 12.1588 36.3877 -6.23416e-05 0.00286925 -0.00237106 19
5720 284 H 25.0952 13.8829 37.9652 -0.000292578 0.000922669 -0.010195 19
5721 285 H 26.8071 13.5777 37.5525 0.00788584 -0.00444721 -0.0101092 19
5722 286 H 26.6986 11.3339 38.5215 0.00317001 0.00150232 0.0103263 19
5723 287 H 24.9653 11.4954 38.8396 -0.00848142 0.00803533 -0.0210554 19
5724 288 H 25.7021 13.6654 40.2308 0.00520679 -0.00434144 0.0112132 19
5725 289 H 27.2835 12.916 40.0638 0.0033094 -0.0146892 -0.0017315 19
5726 290 H 26.3076 10.8872 41.3915 0.00557167 0.00339392 -0.00453115 19
5727 291 H 24.7081 11.5563 41.2089 -0.00113392 -0.00475982 0.00584991 19
5728 292 H 25.7528 13.6431 42.6073 -0.0003108 -0.00218472 0.0128976 19
5729 293 H 27.063 12.5187 42.817 0.0020766 -0.000796804 -0.000220475 19
5730 294 H 25.3356 10.8276 43.7657 -0.00553321 -0.00243172 0.00291786 19
5731 295 H 24.2105 12.1823 43.6669 0.0017791 0.00576614 -0.00382386 19
5732 296 H 25.7173 13.5446 45.2204 -0.00399746 -0.000105333 -0.0058727 19
5733 297 H 26.8738 12.1616 45.1922 -0.00117115 -0.00667855 -0.00435304 19
5734 298 H 24.9197 10.8867 46.3788 0.00361285 -0.00293617 -0.00199294 19
5735 299 H 24.1685 12.4717 46.577 -0.0112157 -0.0184587 0.0109451 19
5736 300 H 26.7162 11.1947 47.6136 -0.0180896 -0.007311 -0.00823371 19
5737 301 H 25.5129 11.9297 48.6375 0.00304071 0.00610345 0.00320922 19
5738 302 H 26.5858 12.9874 47.7083 0.0051378 -0.00261999 -0.000766843 19
5739 1 C 29.2756 27.1486 31.5878 -0.00300672 0.00163707 0.00116209 20
5740 2 C 29.5841 27.0374 30.2178 0.00249745 -0.000313202 0.000953371 20
5741 3 C 29.0882 25.9931 29.4434 8.72715e-05 -0.00144028 -0.00187612 20
5742 4 C 28.3149 24.9764 30.0269 0.00272054 0.00121113 -0.00138379 20
5743 5 C 28.0891 25.0043 31.4222 -0.00187782 0.00161706 0.00266959 20
5744 6 C 28.5073 26.1329 32.2321 0.00147946 0.00241606 -0.00218289 20
5745 7 C 23.599 23.7686 30.5231 0.00192477 -0.00129653 0.00161807 20
5746 8 C 23.8271 23.8544 29.153 -0.00130221 -0.00551692 -0.00419419 20
5747 9 C 25.1381 23.8129 28.6777 -0.000235249 0.00287454 -0.00208421 20
5748 10 C 26.1935 23.8062 29.5891 -0.000581493 -0.00126907 -0.00227549 20
5749 11 C 25.9705 23.8199 30.9938 0.00122317 0.00542031 0.00135836 20
5750 12 C 24.6665 23.7944 31.4775 0.00140396 -0.00203811 0.00199553 20
5751 13 C 29.1621 20.3563 31.3559 -0.00609672 -0.000715214 -0.000246652 20
5752 14 C 29.3416 20.4605 29.9787 5.98159e-05 -0.00237978 0.00189608 20
5753 15 C 28.922 21.5588 29.2696 -0.000914566 0.00346439 -0.00717015 20
5754 16 C 28.2447 22.5749 29.9618 0.00307171 0.00328946 0.0020394 20
5755 17 C 27.6728 23.8136 29.2385 0.000608615 -0.00194495 -0.00159464 20
5756 18 O 28.557 21.3217 33.4969 0.000616247 -0.00037176 0.000553437 20
5757 19 O 24.3766 23.7789 32.836 -0.00459467 -0.00210661 -0.000249114 20
5758 20 O 28.1216 26.2822 33.5235 -0.00260289 0.00196875 0.0036966 20
5759 21 C 28.5508 21.3915 32.0916 0.00112708 0.000419181 -0.000729547 20
5760 22 C 27.9693 23.8002 27.7937 0.0012948 0.000336792 0.0047445 20
5761 23 C 28.4594 23.7921 26.6686 -0.00102832 0.000407533 0.000772706 20
5762 24 C 29.2163 23.77 25.4675 -0.000407201 0.00104452 6.95314e-05 20
5763 25 C 29.8423 22.5968 24.9928 -0.00357319 0.00253148 -0.000570195 20
5764 26 C 30.7249 22.6292 23.9065 0.00205786 -0.00276833 -0.000806251 20
5765 27 C 30.903 23.8058 23.2104 0.00261226 7.66911e-06 0.00281251 20
5766 28 C 30.2205 24.9812 23.6238 0.000582625 -0.000611305 -0.00242851 20
5767 29 C 29.4214 24.9662 24.7839 0.00233443 0.00341746 0.000376012 20
5768 30 C 31.6875 23.808 22.0178 0.00407627 0.00312461 -0.00260191 20
5769 31 C 32.1714 23.8149 20.9106 0.0019507 0.000335011 -0.00321957 20
5770 32 C 30.411 20.7331 18.529 -0.000272642 -0.00412246 0.000516054 20
5771 33 C 30.4473 20.846 17.1149 -0.00198642 0.0020574 -0.00344185 20
5772 34 C 31.2547 21.8025 16.532 0.00169778 0.00279191 0.00176822 20
5773 35 C 31.9167 22.7402 17.3516 -0.00198381 -0.00639534 2.09465e-05 20
5774 36 C 31.7808 22.7063 18.7644 0.00266807 -0.0021788 -0.000387073 20
5775 37 C 31.0862 21.6211 19.3643 0.00103232 0.00159851 0.00151441 20
5776 38 C 32.4925 23.8385 19.4844 0.0037792 -0.0038611 -0.000620779 20
5777 39 C 36.3888 23.8257 19.3039 -0.000243347 -0.00445064 -0.00186899 20
5778 40 C 36.5439 23.8848 17.9126 -0.00244982 0.00233164 0.00114389 20
5779 41 C 35.4359 23.8782 17.0932 -0.00120042 0.00143937 -0.00189113 20
5780 42 C 34.1482 23.8178 17.6724 -0.000979352 0.00221598 -0.000545649 20
5781 43 C 33.9958 23.8176 19.0793 -0.0013513 -0.00197637 -0.00253977 20
5782 44 C 35.1314 23.8264 19.9178 -0.000205114 0.00108219 -0.00181231 20
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5794 56 C 28.0292 22.5139 31.3581 -0.00302083 -0.00246029 0.00240279 20
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5805 67 C 34.403 23.6513 3.25355 -0.00208054 0.0049007 7.90783e-05 20
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5825 87 C 34.4413 26.9854 8.92841 0.00357975 -0.00272965 0.000197585 20
5826 88 C 34.4122 28.0268 7.77954 -0.00271156 -0.000176756 -0.000451035 20
5827 89 C 33.5442 27.4959 6.65568 -0.00416704 -0.00540058 0.000776098 20
5828 90 C 33.6359 28.1542 5.23983 -0.00177461 -0.00250676 -0.00543751 20
5829 91 C 34.8052 27.5881 4.42019 0.000568748 -0.0033332 -0.0013483 20
5830 92 C 34.5423 27.4165 2.89046 0.00298791 -0.000235072 -0.000985667 20
5831 93 C 34.4167 28.7643 2.14337 0.00398834 -0.00390488 -0.00476657 20
5832 94 C 23.1572 23.2688 33.4818 -0.00624633 -9.65969e-05 0.00395427 20
5833 95 C 22.9396 24.002 34.8074 0.00104478 -0.002358 0.0043044 20
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5835 97 C 22.1862 23.9225 37.2972 -0.00448862 -0.00126819 -0.00184558 20
5836 98 C 21.3076 23.1334 38.2765 0.000443234 0.000352058 0.000387811 20
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5839 101 C 21.43 24.1234 42.0458 -0.00441327 0.00379311 -0.00145099 20
5840 102 C 22.2158 23.614 43.304 0.00184551 0.00114396 0.000403425 20
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5842 104 C 22.3231 23.7579 45.8978 0.00391044 0.00208398 0.000181317 20
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5847 109 C 29.2681 27.8871 38.2798 0.00105012 0.00159779 0.00265547 20
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5849 111 C 30.533 27.5345 40.51 0.00164161 0.00155489 0.00317355 20
5850 112 C 29.432 28.0486 41.4322 0.00152914 0.0033695 0.00689606 20
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5854 116 C 30.8552 28.6083 46.3107 -0.00249289 -8.74958e-05 -0.00285806 20
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5857 119 C 29.2317 20.1541 35.6985 -0.00209008 0.000101263 0.00177547 20
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6010 272 H 30.737 26.7309 45.2336 -0.00701153 0.0045902 0.0121471 20
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6021 283 H 28.9149 18.1176 36.3051 0.0134342 -0.0198809 0.0209579 20
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6023 285 H 30.4455 18.1012 38.1954 -0.000259789 -0.00407795 -0.011609 20
6024 286 H 28.2173 19.5252 38.6681 0.00154221 0.00528842 -0.0102666 20
6025 287 H 29.2518 20.8687 38.7477 6.91336e-05 -0.000387787 -0.00910289 20
6026 288 H 30.8533 19.4884 40.3151 -0.00138907 0.0108088 -0.0129575 20
6027 289 H 29.6082 18.1969 40.1355 0.0035243 -0.00214134 -0.00682514 20
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6033 295 H 29.1786 20.6585 44.1111 0.00493714 -0.003088 0.00672822 20
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6035 297 H 29.0424 17.7899 45.0889 0.00318342 -0.00255216 0.00841627 20
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6037 299 H 29.7121 20.4525 46.508 -0.00624517 0.00498819 0.02019 20
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6042 2 C 33.555 19.9075 29.2936 -0.00295948 -0.00439237 -0.00598243 21
6043 3 C 32.937 18.8361 28.6605 -0.000469761 0.00226643 -0.00254148 21
6044 4 C 32.0755 17.9773 29.3791 -0.00127574 -0.000313912 -0.00468024 21
6045 5 C 31.9249 18.1099 30.7766 0.00156258 0.000360013 -0.00308247 21
6046 6 C 32.5133 19.2285 31.4266 0.00150085 0.001085 -0.00361785 21
6047 7 C 27.3557 17.1271 30.3023 0.00668151 -0.004146 0.00303866 21
6048 8 C 27.5088 17.1996 28.8911 0.00327699 -0.00210295 -0.000543333 21
6049 9 C 28.8095 17.0895 28.3637 0.00390075 -0.0040902 -0.00050446 21
6050 10 C 29.9073 16.9391 29.2517 0.002016 0.00180499 0.00340708 21
6051 11 C 29.7545 16.9712 30.6639 0.00279825 0.00162844 0.000345861 21
6052 12 C 28.4458 17.0496 31.2113 0.000991738 -0.00208374 0.00149114 21
6053 13 C 32.8619 13.5505 31.1703 0.00125741 -0.00116038 -0.00267494 21
6054 14 C 33.0265 13.4394 29.7987 0.00192032 -0.000320491 0.000465147 21
6055 15 C 32.5605 14.4704 28.9753 0.000729425 -0.00450391 0.00179409 21
6056 16 C 31.8862 15.5594 29.5335 -0.00133273 0.000654676 -0.000208666 21
6057 17 C 31.3313 16.7876 28.7826 0.00365775 0.00108971 -0.00173356 21
6058 18 O 32.103 14.7763 33.1491 -0.00190268 -0.00100259 0.00195621 21
6059 19 O 28.2189 17.1358 32.5688 0.000802281 0.00109675 0.000947133 21
6060 20 O 32.4103 19.3985 32.8058 -2.39557e-05 0.000484945 0.0013137 21
6061 21 C 32.2446 14.6627 31.8064 -0.00478555 -0.00212373 0.00292543 21
6062 22 C 31.6239 16.632 27.3402 0.000864216 0.00396073 -0.00393119 21
6063 23 C 32.1614 16.5483 26.2427 -2.41942e-05 -0.00177655 -0.00117981 21
6064 24 C 32.9819 16.5825 25.0907 -0.000660052 0.00289977 0.00198655 21
6065 25 C 34.1838 15.858 25.0945 -0.000643159 0.000982426 0.00674094 21
6066 26 C 35.1227 16.0501 24.0952 -0.00141043 0.00130692 0.00345869 21
6067 27 C 34.8182 17.0447 23.1046 0.00164095 0.002874 -0.00594356 21
6068 28 C 33.683 17.8763 23.1799 0.0012338 0.000720545 -0.00275681 21
6069 29 C 32.7167 17.5783 24.1588 -0.00229579 -0.000512539 0.00332734 21
6070 30 C 35.6575 17.1478 21.9423 -0.00152656 -0.00323707 0.00326468 21
6071 31 C 36.182 17.217 20.8508 -0.00251737 7.37128e-05 -0.00308634 21
6072 32 C 34.9422 13.7164 18.764 -0.00132708 0.00360338 0.00206746 21
6073 33 C 35.168 13.6136 17.3926 0.00189023 0.00485194 -0.00217396 21
6074 34 C 35.6447 14.7045 16.7025 0.00360339 0.00444188 -2.01188e-05 21
6075 35 C 35.9929 15.8362 17.3976 0.00230911 0.00278411 0.00146652 21
6076 36 C 35.8313 15.9265 18.7642 0.00447438 0.000790076 0.00233625 21
6077 37 C 35.3014 14.8493 19.4575 -0.00128133 0.00478686 0.00286695 21
6078 38 C 36.4443 17.2036 19.4069 0.00448447 0.00305204 -0.00247014 21
6079 39 C 40.3107 17.3791 19.0564 -0.00142696 -0.00194535 -0.00204162 21
6080 40 C 40.4007 17.4241 17.6612 0.00338831 0.00206201 -0.00494446 21
6081 41 C 39.2482 17.3252 16.8938 0.0020709 0.00283246 0.00261401 21
6082 42 C 38.0035 17.2055 17.5156 -0.000783784 0.000130477 -0.00110641 21
6083 43 C 37.9107 17.1747 18.9097 0.000104207 0.00243377 -0.00435338 21
6084 44 C 39.0649 17.2547 19.7065 -0.00183029 -0.00107186 -0.00212754 21
6085 45 C 34.4766 20.3661 18.3914 -0.00379822 -8.79281e-05 0.00118156 21
6086 46 C 34.5814 20.2625 16.9978 -0.00321569 0.00156757 0.00139116 21
6087 47 C 35.3425 19.2105 16.4242 -0.00349629 -0.00395745 -0.00256906 21
6088 48 C 35.9137 18.2734 17.2605 -0.00236814 -0.00459308 0.000122183 21
6089 49 C 36.6735 17.0585 16.7896 0.00107376 0.00248291 -0.00531201 21
6090 50 C 35.7539 18.3519 18.6606 0.000610262 0.000952011 0.00185794 21
6091 51 C 35.0814 19.4546 19.2365 0.0023691 -0.00148576 -0.00473289 21
6092 52 O 39.3118 17.5825 15.5239 -0.000555444 0.000977693 -0.00183394 21
6093 53 O 35.8466 14.6626 15.3465 -0.00140439 0.00213547 0.00132909 21
6094 54 O 35.3299 19.0653 15.0667 -0.00114907 -0.00125999 -0.000198088 21
6095 55 C 31.0769 16.9888 31.4346 0.00293519 0.000791008 0.000294908 21
6096 56 C 31.7677 15.6867 30.9675 0.00249146 0.00220959 -0.00389266 21
6097 57 C 39.1321 16.4803 14.615 -0.00169245 -0.00154164 -0.0021387 21
6098 58 C 38.3053 16.9414 13.4164 0.00317864 0.00487049 -0.000149607 21
6099 59 C 39.1259 17.4412 12.2228 -0.00511227 3.85883e-05 0.00187053 21
6100 60 C 38.4474 17.3316 10.8253 -0.00123136 0.000496603 -0.00234177 21
6101 61 C 38.1502 15.911 10.3374 -0.00174902 0.00343916 0.00116691 21
6102 62 C 37.5284 15.7993 8.86819 0.00125012 0.00649568 -0.00117062 21
6103 63 C 38.2649 16.613 7.77804 0.000817903 -0.00450821 0.00344234 21
6104 64 C 37.7725 16.2175 6.40233 0.00454834 0.00701011 0.00484919 21
6105 65 C 38.4474 17.0446 5.25498 0.000729899 0.000106811 -0.00591029 21
6106 66 C 38.0142 16.5161 3.89073 -0.00277927 0.00244531 0.00303466 21
6107 67 C 38.7212 17.2901 2.78131 0.000654581 -0.00100654 -0.00166722 21
6108 68 C 38.2502 16.8192 1.40413 0.00118141 -0.00173825 -0.000612343 21
6109 69 F 36.1744 15.2074 23.9227 -0.00186351 0.00233392 0.0025147 21
6110 70 C 36.7747 13.6259 14.888 0.00278273 -0.00270186 -0.000227841 21
6111 71 C 36.5615 13.5069 13.3962 -0.000572955 0.00237028 -0.00185345 21
6112 72 C 37.763 12.9471 12.637 -0.00234889 0.00251767 0.00546523 21
6113 73 C 37.4366 12.3998 11.236 -0.000127007 -0.00259089 0.000332011 21
6114 74 C 38.5475 11.5392 10.667 -0.000885528 0.00359808 0.000175367 21
6115 75 C 38.1334 10.9376 9.3091 -0.000956466 -0.00150493 0.00104321 21
6116 76 C 38.0403 11.9343 8.13349 0.0006063 0.00222684 -0.00311954 21
6117 77 C 37.9599 11.1956 6.78333 0.00267232 0.00485111 0.0022185 21
6118 78 C 38.1846 12.0713 5.5307 -0.00162179 -0.000505698 0.00230117 21
6119 79 C 38.1109 11.37 4.22648 -0.00122679 0.00354801 -0.003805 21
6120 80 C 38.6545 12.2447 3.07802 0.00120838 -0.000233718 0.00163093 21
6121 81 C 38.7559 11.4915 1.74712 0.00112261 0.00148581 0.000649695 21
6122 82 C 34.1312 18.4917 14.5361 0.00272108 -0.00284279 -0.00381509 21
6123 83 C 33.9517 18.8246 13.0571 0.000548686 -0.00457475 0.00188163 21
6124 84 C 34.9826 18.1489 12.1521 -0.00353252 0.000731531 -0.00197492 21
6125 85 C 34.5759 18.0944 10.6599 -0.00273412 0.00119977 -0.00172777 21
6126 86 C 34.5008 19.4891 10.0017 -0.00187897 -0.000151384 -0.0017961 21
6127 87 C 33.9584 19.4257 8.5868 0.0013486 -0.00156035 0.00339507 21
6128 88 C 34.8317 18.8432 7.483 -0.000511796 -0.00473747 0.00235598 21
6129 89 C 34.455 19.4616 6.11856 -0.00116923 -0.00465173 -0.00221137 21
6130 90 C 35.1753 18.8725 4.90465 0.000292579 0.001971 0.000901167 21
6131 91 C 34.5978 19.4627 3.59587 -0.00531249 0.00136062 0.00444053 21
6132 92 C 35.3065 18.9461 2.28406 -0.00330871 0.00416958 -0.00192709 21
6133 93 C 34.6546 19.5547 1.04732 0.00553274 0.000601137 -0.0010568 21
6134 94 C 26.872 17.0603 33.1042 -0.00403233 0.00284955 -0.00049229 21
6135 95 C 26.7826 17.1252 34.6688 0.00169446 0.00062747 0.00107024 21
6136 96 C 25.3434 17.0402 35.2636 -0.00177712 0.00206096 0.00214812 21
6137 97 C 25.2727 16.9463 36.8226 -0.000714615 -0.00535693 -0.00331062 21
6138 98 C 26.4937 17.4906 37.608 0.00137598 -0.00216544 0.00399281 21
6139 99 C 26.3518 17.5664 39.1568 -0.0056148 0.000292798 0.00316178 21
6140 100 C 25.6325 16.4048 39.8222 0.00137005 -0.00213043 -0.00235425 21
6141 101 C 25.7374 16.3869 41.3645 -0.00148373 0.00373864 -0.00360922 21
6142 102 C 25.4969 17.7211 42.1428 -0.000891018 0.000650483 0.0018932 21
6143 103 C 24.8748 17.5065 43.5394 0.000392551 -0.000859181 -0.00146896 21
6144 104 C 25.7641 16.7127 44.4877 0.00443587 0.000569632 0.00112165 21
6145 105 C 25.1386 16.712 45.9268 0.00214497 -0.00065611 0.000216832 21
6146 106 C 33.2428 20.3938 33.4121 0.00303871 0.00136391 0.00135914 21
6147 107 C 33.0378 20.4296 34.8786 -0.000566388 0.000688241 0.00196078 21
6148 108 C 33.4717 21.7962 35.4855 -0.00127069 -0.000575118 0.00285741 21
6149 109 C 32.9772 22.0731 36.9233 0.00289647 0.0047303 -0.00248543 21
6150 110 C 33.7227 21.4101 38.0893 -0.000660921 0.00116553 -0.00109994 21
6151 111 C 32.9994 21.7029 39.4545 -0.00175082 0.00281749 -0.000416306 21
6152 112 C 33.7307 21.1688 40.7189 -0.0018961 -0.00253366 -0.00303267 21
6153 113 C 32.8545 21.3879 41.9676 0.00128035 0.00267252 0.00224885 21
6154 114 C 33.564 21.0136 43.2641 0.000952324 0.0015894 -0.000509524 21
6155 115 C 32.6832 21.3547 44.486 -0.000953654 0.000935559 -0.00188829 21
6156 116 C 33.4549 21.4627 45.8189 5.13478e-05 0.000708556 -0.000954949 21
6157 117 C 33.6194 20.1241 46.4948 0.000941632 0.00441152 0.00209435 21
6158 118 C 32.2042 13.684 34.0619 0.00361548 0.00275585 -0.00138823 21
6159 119 C 33.6505 13.1678 34.3291 0.00249153 0.001934 0.000400694 21
6160 120 C 33.8672 12.3572 35.6458 0.00132782 -0.000737322 -0.000160618 21
6161 121 C 33.2876 12.9697 36.9254 -0.00230391 0.0010161 -0.00179641 21
6162 122 C 33.88 12.42 38.2589 -5.30471e-05 -0.00255539 -0.00046573 21
6163 123 C 33.0146 12.9597 39.454 -0.00227123 -0.00330795 -0.00669249 21
6164 124 C 33.6432 12.4923 40.7993 0.00143257 0.00136505 -5.12895e-05 21
6165 125 C 32.7973 12.9441 42.0195 -0.00175756 0.00410278 -0.00179214 21
6166 126 C 33.553 12.7216 43.3319 0.00188316 -0.000970476 4.11465e-06 21
6167 127 C 32.6243 12.9463 44.5448 0.000602124 0.00468119 0.00299417 21
6168 128 C 33.2395 12.6401 45.9004 0.00241877 0.0020283 0.00500238 21
6169 129 C 32.1572 12.6169 47.0292 0.00212942 0.00533927 -0.00164697 21
6170 130 F 34.4453 14.9011 26.0497 0.00101929 -0.000880933 -0.00229146 21
6171 131 H 33.7029 21.0449 31.0654 -0.00448833 -0.00316778 0.0195692 21
6172 132 H 34.1449 20.5849 28.6833 0.00407442 -0.00665148 -0.00168414 21
6173 133 H 33.0293 18.7707 27.5804 0.00747775 0.00411446 -0.00196575 21
6174 134 H 26.3329 17.1674 30.665 0.00639291 -0.00329562 0.0021341 21
6175 135 H 26.6265 17.2707 28.2618 0.00344588 0.00988535 0.000574779 21
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6179 139 H 32.6136 14.3863 27.8938 -0.0239057 0.00168425 4.72422e-05 21
6180 140 H 33.4523 18.5957 22.3998 -0.00116228 0.000339666 -0.00240309 21
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6187 147 H 39.0379 17.2916 20.7916 0.0074664 -0.00627692 -0.00170997 21
6188 148 H 33.9147 21.1952 18.8113 -0.00688038 0.00311494 -0.00923858 21
6189 149 H 34.094 21.0133 16.3829 -0.0148639 -0.00188262 0.00641677 21
6190 150 H 36.7726 17.0092 15.6982 -0.000282133 -0.00737645 -0.00498857 21
6191 151 H 34.9224 19.5628 20.3054 0.00512878 -0.00201826 -0.00427228 21
6192 152 H 31.0222 17.128 32.5213 0.00321761 0.00157184 0.000210407 21
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6204 164 H 37.4918 14.7459 8.56435 6.28671e-05 0.00460972 0.00551224 21
6205 165 H 39.3499 16.4717 7.85603 0.00123905 0.00483608 0.0144573 21
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6210 170 H 38.2607 18.1197 5.36732 0.00432637 -0.00186205 0.0190628 21
6211 171 H 36.9356 16.6269 3.72446 -0.000386202 0.0218289 0.000268783 21
6212 172 H 38.313 15.47 3.74996 -0.01093 0.00231365 -0.01343 21
6213 173 H 39.7936 17.0823 2.8825 -0.00272262 -0.0131413 0.00945879 21
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6217 177 H 38.7094 17.3891 0.586928 0.00891812 0.0068632 0.00975684 21
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6236 196 H 38.6674 10.4282 4.30949 0.00145299 0.00616444 0.00794321 21
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6238 198 H 38.0114 13.1289 2.98917 0.00442267 0.00263781 0.00689328 21
6239 199 H 39.664 12.5898 3.33358 -0.00376943 0.00706872 0.0114199 21
6240 200 H 37.7719 11.1097 1.44799 -0.00320465 0.0120499 0.00141198 21
6241 201 H 39.1089 12.1649 0.9564 -0.00994549 7.76248e-05 -0.00550291 21
6242 202 H 39.4501 10.643 1.7873 0.000964152 0.000957633 -0.0075633 21
6243 203 H 34.1174 17.4096 14.7157 -0.007636 -0.00605002 -0.0239914 21
6244 204 H 33.2861 18.9523 15.0624 0.00744655 -0.00162123 0.0027071 21
6245 205 H 32.978 18.4472 12.7211 0.00133756 -0.00420964 -0.000833058 21
6246 206 H 33.8 19.89 12.8444 -0.0102666 -0.00853906 -0.0105599 21
6247 207 H 35.9224 18.7109 12.2167 0.00658904 -0.0168109 0.00347281 21
6248 208 H 35.2492 17.1426 12.498 0.0138548 0.00890532 0.00849424 21
6249 209 H 35.2908 17.4384 10.148 -0.00397485 0.00469151 -0.00791564 21
6250 210 H 33.5976 17.6134 10.5377 -0.0075943 0.00794399 0.0107042 21
6251 211 H 33.8116 20.1096 10.5877 -0.0112954 -0.0151419 0.00301659 21
6252 212 H 35.4836 19.9739 10.0524 0.00423333 -0.0137054 0.00977511 21
6253 213 H 33.0003 18.8915 8.59624 -0.0058033 0.0115712 0.0223544 21
6254 214 H 33.6885 20.4713 8.39374 0.00279582 -0.00068359 0.00609845 21
6255 215 H 35.8818 19.0853 7.68847 -0.00648384 0.0128904 0.01219 21
6256 216 H 34.6826 17.7564 7.4784 -0.00625169 -0.00396177 0.00354935 21
6257 217 H 33.3794 19.3255 5.95126 -0.00610868 0.022704 0.00751298 21
6258 218 H 34.6826 20.5332 6.17583 0.00787852 -0.00661664 -0.00127956 21
6259 219 H 36.2383 19.1351 4.97175 0.0016318 -0.000321284 -0.0113542 21
6260 220 H 35.0664 17.7818 4.86016 0.0115139 0.000705305 0.00476287 21
6261 221 H 33.5274 19.2225 3.59467 -0.00792828 0.013008 0.0114533 21
6262 222 H 34.766 20.5453 3.65103 -0.000200046 0.00128981 -0.00965186 21
6263 223 H 36.353 19.2705 2.33805 -0.00335208 0.00219991 0.0110037 21
6264 224 H 35.2544 17.8527 2.21252 -0.000440075 0.00363568 0.00417438 21
6265 225 H 34.8312 20.6373 1.05819 0.0224963 -0.00217051 -0.0024652 21
6266 226 H 35.0081 19.1395 0.0954106 0.0187796 0.00241702 0.00307584 21
6267 227 H 33.5612 19.4657 1.04938 0.00484755 0.008893 0.000920825 21
6268 228 H 26.3025 17.8818 32.6525 -9.53642e-05 0.00841609 0.00468476 21
6269 229 H 26.4105 16.1243 32.7658 -0.00831474 0.00196376 0.00779551 21
6270 230 H 27.4316 16.3027 34.9938 0.00370898 0.000719624 -0.00268914 21
6271 231 H 27.311 18.0152 35.0323 -0.00484799 0.00765555 -0.00668684 21
6272 232 H 24.7636 17.9255 34.9747 0.0054465 0.00611015 6.4218e-05 21
6273 233 H 24.7572 16.2383 34.7979 -0.000425765 0.00225644 0.000112496 21
6274 234 H 24.3292 17.4165 37.1259 -0.00696454 -0.00514248 -0.0229971 21
6275 235 H 25.1605 15.8783 37.0467 -0.00332959 -0.00372881 0.00309513 21
6276 236 H 27.3654 16.8526 37.417 0.000458098 -0.000663 -0.00521245 21
6277 237 H 26.8536 18.4454 37.2052 -0.0104845 0.00264569 0.00488979 21
6278 238 H 27.3479 17.6309 39.6118 -0.00151519 -0.00314072 -0.00533334 21
6279 239 H 25.8176 18.489 39.4153 0.00960928 0.00872028 0.00454972 21
6280 240 H 24.5478 16.4339 39.661 0.00219845 -0.0179538 -0.0106537 21
6281 241 H 26.0265 15.4784 39.3864 0.0238382 0.0104707 -0.00881428 21
6282 242 H 24.9759 15.687 41.73 0.00682921 0.0035154 0.0133039 21
6283 243 H 26.7086 15.9828 41.6757 0.00538503 0.0257249 0.00350892 21
6284 244 H 26.4458 18.2679 42.2065 0.00197288 -0.0045846 0.00420548 21
6285 245 H 24.814 18.2719 41.4844 -0.00443231 -0.00341734 0.00215239 21
6286 246 H 24.7352 18.5101 43.9598 -0.00636441 -0.00308476 0.00158836 21
6287 247 H 23.8797 17.0524 43.456 -0.00193109 0.00402666 -0.000418152 21
6288 248 H 25.8477 15.6626 44.1817 -0.0158608 -0.000683928 -0.00011924 21
6289 249 H 26.782 17.1198 44.5275 0.00699216 -0.00497327 -0.00759666 21
6290 250 H 25.0385 17.7397 46.2972 0.0199645 0.0031234 -0.00547169 21
6291 251 H 24.1372 16.265 45.9561 0.00345752 -0.00386557 -0.00402278 21
6292 252 H 25.7689 16.121 46.6027 -0.000217926 -0.00592574 -0.00217987 21
6293 253 H 34.3051 20.2109 33.2081 0.00259268 -0.00418263 0.00397267 21
6294 254 H 32.8419 21.3415 33.0318 0.00330441 0.00131315 0.00095523 21
6295 255 H 31.9961 20.2066 35.1404 -0.00341223 0.00346602 -0.00702851 21
6296 256 H 33.6944 19.6643 35.3105 -0.00979767 -0.0108377 -0.0044464 21
6297 257 H 34.5685 21.8057 35.4667 -0.00154073 0.00945578 -0.00673911 21
6298 258 H 33.1996 22.5989 34.789 0.00373414 -0.00218965 -0.000971333 21
6299 259 H 33.1081 23.1546 37.0526 -0.00393488 0.00454571 0.00581686 21
6300 260 H 31.9144 21.8014 36.9325 0.00283887 0.00470193 -0.00887128 21
6301 261 H 33.7498 20.3308 37.8946 0.0084849 0.00172924 -0.00294393 21
6302 262 H 34.7618 21.7619 38.0976 -0.00375126 0.0100269 0.00874069 21
6303 263 H 32.8641 22.7803 39.6107 -0.00183666 0.00482631 -0.0144587 21
6304 264 H 32.0004 21.2502 39.4318 -0.00392603 0.00779554 -0.00371851 21
6305 265 H 33.8974 20.0974 40.5523 0.00060327 -0.00055933 -0.0132918 21
6306 266 H 34.6688 21.7311 40.8035 0.00498614 -0.0155724 0.00696377 21
6307 267 H 32.5384 22.4383 41.9585 -0.00887535 -0.000409722 -0.00313364 21
6308 268 H 31.9044 20.8464 41.8809 0.000121237 0.00403493 0.00641464 21
6309 269 H 33.8427 19.9529 43.2391 -0.0177673 -0.003655 0.0133872 21
6310 270 H 34.4552 21.649 43.3385 -0.00669481 0.0122515 0.000376994 21
6311 271 H 32.1685 22.3131 44.3446 -0.00689994 0.000166543 0.0143619 21
6312 272 H 31.8802 20.6248 44.6467 0.00904041 -0.00870493 0.00433791 21
6313 273 H 34.4243 21.9638 45.7063 -0.0026855 0.010387 0.0184362 21
6314 274 H 32.8477 22.091 46.4822 0.00102787 -0.000566854 0.00114394 21
6315 275 H 34.1231 19.3879 45.8563 -0.0111327 0.00221966 -0.00492483 21
6316 276 H 34.2329 20.2447 47.3962 0.0133527 -0.00968004 -0.0044497 21
6317 277 H 32.66 19.6275 46.6857 0.00143969 -0.000146879 -0.00710636 21
6318 278 H 31.7958 14.0186 35.0234 -0.00451583 0.00910851 -0.00706474 21
6319 279 H 31.5894 12.8725 33.6533 -0.00038579 0.00455631 0.00106564 21
6320 280 H 34.2874 14.0609 34.3138 0.00411222 0.000965186 0.0117205 21
6321 281 H 34.0189 12.4904 33.5489 0.00286045 0.00677619 -0.00362226 21
6322 282 H 34.9387 12.2067 35.8264 0.00146291 -0.00316523 -0.00299898 21
6323 283 H 33.4754 11.3362 35.5599 -0.0139905 0.00504505 0.00095763 21
6324 284 H 32.1959 12.8647 36.95 -0.00253454 -0.00119554 -0.0228262 21
6325 285 H 33.4661 14.0502 36.9905 0.00779305 -0.000656246 -0.00179299 21
6326 286 H 34.9327 12.7209 38.327 -0.0023921 0.000944223 0.0198633 21
6327 287 H 33.8616 11.3237 38.2952 -0.0117265 -0.00266857 -0.00996839 21
6328 288 H 32.0149 12.5391 39.289 0.000717754 -0.0097064 -0.00854953 21
6329 289 H 32.9209 14.0526 39.445 0.00798944 -0.00235491 0.0024339 21
6330 290 H 34.6586 12.896 40.8963 0.00424266 -0.00640826 0.00287917 21
6331 291 H 33.7128 11.3976 40.8045 -0.00381409 0.00104327 0.00304589 21
6332 292 H 31.8473 12.3956 42.0305 0.004011 -0.0059443 -0.00589479 21
6333 293 H 32.5124 14.0027 41.9798 -0.0113726 0.00199444 0.0101784 21
6334 294 H 34.4016 13.4087 43.4383 -0.009153 0.014673 -0.0133454 21
6335 295 H 34.0024 11.7214 43.3623 0.00729393 0.00148178 0.000919062 21
6336 296 H 31.7615 12.2861 44.3932 0.00611387 -0.00369419 0.00818106 21
6337 297 H 32.1958 13.956 44.5615 0.00599428 0.00694666 0.00406915 21
6338 298 H 34.0161 13.3858 46.1104 0.00183738 0.00262508 0.00503642 21
6339 299 H 33.6873 11.6387 45.901 0.0100413 0.00544673 0.00918495 21
6340 300 H 32.5549 12.2416 47.9802 0.0026918 -0.0108496 -0.00828359 21
6341 301 H 31.2934 12.0019 46.7478 0.0138789 -0.0150486 0.00686366 21
6342 302 H 31.7908 13.6317 47.2274 -0.00539206 0.00101564 0.00659566 21
6343 1 C 36.9806 26.9748 31.0812 -0.00228888 -0.00246484 0.000462421 22
6344 2 C 37.0751 26.8716 29.704 0.00034257 -0.00167998 0.00215386 22
6345 3 C 36.6291 25.7511 29.0268 -0.00515782 -0.00242532 -0.00172973 22
6346 4 C 36.0136 24.6944 29.7516 0.00156621 -0.000178896 -0.00304785 22
6347 5 C 35.8448 24.8023 31.1568 0.00293738 0.00102449 0.00188361 22
6348 6 C 36.3099 25.9746 31.8259 0.00102839 -0.0029878 0.00135014 22
6349 7 C 31.407 23.6713 30.5173 -0.00200081 0.000832546 0.00211127 22
6350 8 C 31.6339 23.6792 29.1354 0.000746072 0.00421201 0.00176425 22
6351 9 C 32.9016 23.4971 28.6316 0.00597884 -0.00411884 -0.00120833 22
6352 10 C 33.9707 23.4608 29.5598 -0.00174561 0.00531747 0.00206646 22
6353 11 C 33.8 23.574 30.9704 -0.00157271 0.000456822 -0.0012046 22
6354 12 C 32.4524 23.6434 31.4632 -0.00169533 -0.00301649 0.00214966 22
6355 13 C 37.049 20.2084 31.6317 -0.00607856 0.00101718 -0.00645071 22
6356 14 C 37.1814 20.1098 30.2463 -0.00146121 -0.000657372 -0.00264068 22
6357 15 C 36.7355 21.1348 29.4164 0.00104582 0.00161153 -0.00111897 22
6358 16 C 36.0807 22.2685 29.9786 0.00214643 -0.000653962 0.000690117 22
6359 17 C 35.468 23.4135 29.1684 0.00158379 0.000881288 -0.00342236 22
6360 18 O 36.3653 21.405 33.6324 0.003134 -0.000499165 -0.00185065 22
6361 19 O 32.1758 23.8305 32.8079 0.00146181 -0.00164646 -0.000212794 22
6362 20 O 36.0659 26.1086 33.1738 -0.00120307 0.000807721 -0.00325927 22
6363 21 C 36.4807 21.3597 32.225 0.00524848 0.00174857 0.00113085 22
6364 22 C 35.7921 23.291 27.7331 -0.000652892 -0.00233254 0.000903225 22
6365 23 C 36.2804 23.2312 26.6348 0.00237748 0.00132174 5.6751e-05 22
6366 24 C 37.0473 23.2227 25.4369 -0.00380958 0.00190004 -0.000505744 22
6367 25 C 38.2632 22.5425 25.398 0.00522306 -0.00179914 -0.00119978 22
6368 26 C 39.1061 22.6804 24.2758 -0.00054965 -0.00077428 0.00283201 22
6369 27 C 38.6846 23.4846 23.177 0.00355871 -0.000539496 -0.000338396 22
6370 28 C 37.4303 24.1336 23.1884 -0.000943552 -0.000338287 -0.00235376 22
6371 29 C 36.6312 24.003 24.3281 0.0058124 0.00784111 0.00167749 22
6372 30 C 39.4892 23.5815 22.0003 -0.000346426 0.000284413 0.00092532 22
6373 31 C 39.964 23.7063 20.8937 -0.000839869 -0.0026395 -0.00223681 22
6374 32 C 38.3391 20.5883 18.4901 8.1655e-05 -0.000208247 0.0027784 22
6375 33 C 38.4865 20.6423 17.0592 0.000530078 0.000360383 -0.00133199 22
6376 34 C 39.1665 21.7401 16.4826 -0.00264308 -0.0021955 0.00322199 22
6377 35 C 39.7333 22.7263 17.2869 0.0025955 -0.000927699 0.00360145 22
6378 36 C 39.6713 22.6366 18.6835 0.000736263 0.000906627 -0.00435068 22
6379 37 C 38.9492 21.5866 19.2799 -0.00146114 0.00343058 0.000994861 22
6380 38 C 40.2853 23.7675 19.4473 -0.00114955 0.00131969 -0.000682146 22
6381 39 C 44.1765 23.6691 19.3733 -7.41063e-05 -0.000787256 -0.00212581 22
6382 40 C 44.3079 23.7653 17.9674 -0.00170786 -0.00258269 0.00120703 22
6383 41 C 43.2086 23.7898 17.0867 0.00155331 0.00483959 5.28642e-05 22
6384 42 C 41.9283 23.7436 17.6315 0.0019841 0.00210458 -0.000123745 22
6385 43 C 41.76 23.7177 19.0486 -0.00303217 -0.0014842 0.0026235 22
6386 44 C 42.8699 23.6117 19.9264 -0.00178997 0.000190976 0.00634653 22
6387 45 C 38.7485 27.3203 18.8083 -0.000897081 -0.00113427 0.00121213 22
6388 46 C 38.9212 27.3711 17.4039 -0.00465373 -0.00269181 -0.00392125 22
6389 47 C 39.4765 26.3097 16.6993 -0.00272744 0.00305755 -0.000941538 22
6390 48 C 39.8788 25.1272 17.3821 0.000722337 0.00339712 -0.00497604 22
6391 49 C 40.6094 23.879 16.8153 -7.92138e-05 -0.00497965 0.00104324 22
6392 50 C 39.7218 25.0517 18.7943 -7.42739e-05 0.00110337 -0.00236702 22
6393 51 C 39.173 26.161 19.4506 -0.000940369 -0.00224701 0.00139176 22
6394 52 O 43.3708 24.0593 15.7681 -0.000116624 0.00303502 0.0024748 22
6395 53 O 39.4036 21.7799 15.1396 0.00219275 0.000126445 -0.0014508 22
6396 54 O 39.5791 26.5579 15.3437 -0.00137599 -0.00348721 0.000363352 22
6397 55 C 35.1022 23.6176 31.7928 -0.00130459 -0.00363686 0.00242026 22
6398 56 C 35.9056 22.3587 31.3902 -0.00632048 -0.00323059 -0.00145183 22
6399 57 C 43.6782 23.0533 14.7988 -0.00771536 0.0019871 0.00289937 22
6400 58 C 42.6716 23.3047 13.6264 0.00384521 0.00411412 -0.0024989 22
6401 59 C 43.0196 22.6417 12.2691 -0.000247392 -0.00455514 0.00204637 22
6402 60 C 41.9736 22.9571 11.1948 -0.00208796 -0.00403671 0.000496466 22
6403 61 C 42.3834 22.6472 9.74946 0.00132728 0.00164928 -0.00172241 22
6404 62 C 43.2053 23.7764 9.14397 -0.00181666 -0.00272657 0.000946357 22
6405 63 C 42.6959 24.3351 7.77275 -0.00372542 0.00317073 0.00396955 22
6406 64 C 42.6599 23.3513 6.6069 -0.000556322 -0.00309359 -0.000504316 22
6407 65 C 42.6073 24.0466 5.23215 0.00405479 5.80326e-05 -9.54737e-05 22
6408 66 C 42.5907 23.0575 4.06514 0.00136929 0.000782555 -0.00206798 22
6409 67 C 42.4869 23.7191 2.66565 0.000180578 0.00179149 0.000407995 22
6410 68 C 43.5396 24.8102 2.41249 -0.00501627 0.000117792 -0.000336922 22
6411 69 F 40.3623 22.1831 24.2736 0.00261213 0.000711541 0.00136368 22
6412 70 C 38.7892 20.8273 14.1964 0.000738888 0.00184734 -0.00457033 22
6413 71 C 39.2485 21.2596 12.802 -0.000257903 -0.00352611 -0.00178151 22
6414 72 C 38.2984 20.9393 11.634 9.5644e-05 -0.0032546 0.0025313 22
6415 73 C 39.0318 20.8218 10.2847 -0.00257118 0.00358895 0.00217109 22
6416 74 C 38.0391 20.5016 9.14501 -0.000254588 -0.000864553 -0.00378189 22
6417 75 C 38.6288 20.3393 7.77064 0.00248742 -0.00220435 0.000375259 22
6418 76 C 38.7702 21.6004 6.95346 -0.00193715 -0.00138677 0.00419038 22
6419 77 C 38.7949 21.2963 5.42542 -0.000761335 0.00133379 0.00360954 22
6420 78 C 38.8153 22.5538 4.55309 -0.00165389 0.00260207 -0.000444858 22
6421 79 C 38.5709 22.2488 3.0732 -0.00225577 -0.00122234 0.00347046 22
6422 80 C 39.5611 21.2906 2.40189 0.00129716 0.000482454 0.000687156 22
6423 81 C 39.0899 21.007 0.988835 -0.00540521 0.00485307 -0.00235423 22
6424 82 C 40.5568 26.0507 14.4069 -0.00266051 -0.000303116 0.0027582 22
6425 83 C 40.736 27.1136 13.3137 -0.00101305 0.00281352 -0.000957877 22
6426 84 C 41.3305 26.697 11.9565 0.00207028 4.72303e-05 0.00240778 22
6427 85 C 41.4058 27.8951 10.951 0.00147406 1.53895e-05 -0.00183391 22
6428 86 C 41.9196 27.5148 9.5468 -0.000568988 -0.000130426 -0.00263248 22
6429 87 C 42.4231 28.7536 8.8087 -0.00187693 -0.00576873 -0.00179328 22
6430 88 C 42.8704 28.4993 7.36303 0.000699389 0.00140281 -6.31344e-05 22
6431 89 C 41.8253 27.8554 6.39971 0.00698196 -0.000313518 -0.00225291 22
6432 90 C 42.2852 27.6047 4.90949 -0.000890939 -0.00168708 0.00291364 22
6433 91 C 42.4429 28.8973 4.03581 -0.00283452 -0.00130161 -0.00425545 22
6434 92 C 42.897 28.71 2.58618 -0.00155684 0.00114003 0.000314442 22
6435 93 C 41.8682 27.9457 1.72248 -0.000894164 -0.00202306 0.00235025 22
6436 94 C 30.8218 23.9091 33.3299 -0.00322929 0.000737162 0.00054493 22
6437 95 C 30.7462 23.4903 34.7785 0.0011829 0.00360693 0.000493617 22
6438 96 C 29.3877 23.9822 35.3633 -0.0022357 -0.00244104 0.00112336 22
6439 97 C 28.9052 23.5629 36.7773 0.000597943 0.00301017 0.00011605 22
6440 98 C 29.8709 23.9269 37.9191 -0.00148616 0.00227781 -0.00158639 22
6441 99 C 29.0803 23.8082 39.2447 -0.00304003 -0.000368707 0.00284712 22
6442 100 C 29.9443 23.4992 40.482 0.00223091 -0.000175049 -0.00452683 22
6443 101 C 29.1189 23.6788 41.7795 -0.00344163 -0.00284595 0.00299 22
6444 102 C 29.9918 23.4933 43.0064 -0.00205442 -0.00286813 0.00282855 22
6445 103 C 29.3395 23.861 44.3868 -0.00195545 0.00104857 0.00419549 22
6446 104 C 30.2111 23.6866 45.6355 0.00345017 2.65473e-05 0.00237705 22
6447 105 C 29.6627 24.3709 46.8946 0.00334562 -0.00104639 0.00406261 22
6448 106 C 35.9806 27.3725 33.8915 0.00172888 -0.000566813 0.0018223 22
6449 107 C 37.3479 27.9287 34.2427 -0.00114993 0.00154064 -0.00167459 22
6450 108 C 37.4646 28.7567 35.5453 -0.00329292 -0.000623584 0.00405492 22
6451 109 C 36.926 28.0161 36.7831 0.000889858 0.00166175 -0.00260331 22
6452 110 C 37.5712 28.58 38.047 -0.00598217 0.00148521 -0.00143962 22
6453 111 C 37.0739 27.8131 39.2838 -6.57089e-05 -0.00547293 -0.00419312 22
6454 112 C 38.1507 27.8013 40.4022 -0.000664589 -0.000424629 0.000863893 22
6455 113 C 37.5795 27.2231 41.6919 -0.000466229 -0.00360282 0.0029128 22
6456 114 C 36.6701 28.2682 42.4357 9.42803e-06 0.00136194 -0.00216519 22
6457 115 C 36.6261 28.129 44.0024 0.00129029 0.000728711 0.00184002 22
6458 116 C 38 28.4535 44.625 8.81608e-05 -0.0027909 -0.00302594 22
6459 117 C 38.007 28.6005 46.1314 -0.00652797 -0.0021373 0.000382596 22
6460 118 C 36.8705 20.2727 34.4081 -0.0019128 -0.00475489 -0.00133652 22
6461 119 C 36.8427 20.4314 35.9513 -0.000292078 0.00376927 -0.000379388 22
6462 120 C 37.3956 19.1654 36.631 9.83116e-05 -0.00226764 -0.00032862 22
6463 121 C 37.9603 19.4611 38.0544 0.00129562 -0.00139367 -0.00399814 22
6464 122 C 36.9533 19.3623 39.2006 0.000281972 0.00208911 0.00250659 22
6465 123 C 37.605 19.5523 40.5711 0.00274773 -0.0033224 0.00182264 22
6466 124 C 36.6599 19.4113 41.7645 -0.00010661 -0.00152148 -0.00290622 22
6467 125 C 37.4132 19.4695 43.0856 0.000366924 -0.000391975 0.000377915 22
6468 126 C 36.578 19.0885 44.3295 -0.00188734 0.00174952 0.00042751 22
6469 127 C 37.4551 19.0256 45.6163 0.000203715 -0.000630164 -0.00157178 22
6470 128 C 37.8728 20.3458 46.2517 0.000517066 0.000234294 -0.00261926 22
6471 129 C 38.8273 20.0697 47.4442 -0.000770885 -0.00125035 -0.000368629 22
6472 130 F 38.6514 21.8285 26.4709 -0.00037307 -0.00130723 -0.00267348 22
6473 131 H 37.4615 27.8337 31.54 -0.00178452 -0.00103084 -0.00274611 22
6474 132 H 37.5734 27.6894 29.1918 -0.00192976 0.00258642 0.00672901 22
6475 133 H 36.7251 25.7464 27.9451 -0.00881523 0.000953542 -0.00207359 22
6476 134 H 30.3886 23.7744 30.8801 -0.00329198 -0.00558575 0.000300173 22
6477 135 H 30.7991 23.7321 28.4427 0.00534803 0.00144513 -0.00399724 22
6478 136 H 33.0577 23.431 27.5589 0.00410486 -0.0110443 -0.00105505 22
6479 137 H 37.4325 19.3807 32.221 0.00193949 -0.00169811 -0.0154874 22
6480 138 H 37.641 19.2282 29.8093 0.00700648 -0.0058609 0.0167029 22
6481 139 H 36.8646 20.9963 28.3471 0.0122883 -0.0136023 0.00219591 22
6482 140 H 37.1753 24.7963 22.3667 0.0037715 0.00443759 1.84458e-05 22
6483 141 H 35.6879 24.539 24.3755 -0.00592628 -0.0121955 -0.00527281 22
6484 142 H 37.838 19.7626 18.9866 -0.00258753 -0.00325322 -0.0049768 22
6485 143 H 38.0713 19.8761 16.4112 -0.00221486 0.00218592 -0.00173417 22
6486 144 H 38.8739 21.4498 20.3546 0.0138457 -0.00544296 0.000946651 22
6487 145 H 45.0857 23.6922 19.9668 0.00688855 -0.00338468 -0.0126443 22
6488 146 H 45.2864 23.9346 17.5278 -0.00377535 -0.000354396 -0.00254515 22
6489 147 H 42.7202 23.5966 21.0019 -0.00477159 0.000698727 0.00594009 22
6490 148 H 38.2873 28.1363 19.3567 -0.00381995 0.00131606 -0.00488121 22
6491 149 H 38.6207 28.2756 16.8832 -0.00940032 0.00162134 0.0062954 22
6492 150 H 40.7757 23.8882 15.731 -0.00660573 -0.0046302 4.83768e-05 22
6493 151 H 39.0468 26.1184 20.5284 0.00358851 0.00790641 0.00231678 22
6494 152 H 34.8877 23.7072 32.8649 0.00918007 -0.0012897 0.00430756 22
6495 153 H 44.7189 23.206 14.487 -0.0109143 0.00724283 -0.00518468 22
6496 154 H 43.5802 22.0194 15.1521 0.021711 -0.0028011 -0.00289772 22
6497 155 H 42.5707 24.3833 13.4541 -0.022503 0.000113716 -0.0121598 22
6498 156 H 41.6843 22.9249 13.9167 -0.00264815 0.0186744 -0.00555865 22
6499 157 H 43.0917 21.5608 12.4421 0.00468392 -0.00480805 -0.00160886 22
6500 158 H 44.0165 22.9701 11.9502 -0.00660809 0.00256624 -0.0104569 22
6501 159 H 41.697 24.0161 11.2683 0.00352827 -0.0025804 0.000631007 22
6502 160 H 41.0421 22.4387 11.4533 0.00298217 -0.0109823 0.00481213 22
6503 161 H 41.4914 22.4334 9.14769 -0.00378039 -0.00218671 0.00719465 22
6504 162 H 42.9515 21.7089 9.76435 -0.00274872 -0.000706097 0.00608168 22
6505 163 H 44.2333 23.4143 9.01967 0.000660245 0.00273229 0.00545146 22
6506 164 H 43.3507 24.5404 9.91767 0.00944091 0.0150829 -0.0188288 22
6507 165 H 43.3916 25.1527 7.54709 -0.00436604 0.000762283 -0.00665002 22
6508 166 H 41.7085 24.8096 7.83012 -0.00616603 -0.000664111 -0.00608702 22
6509 167 H 41.7647 22.7265 6.71514 -0.00521273 0.00101651 -0.0152399 22
6510 168 H 43.5444 22.7036 6.6481 0.0058537 0.00492376 -0.0121033 22
6511 169 H 43.3218 24.8732 5.13468 -0.0124421 0.0139832 -0.00375646 22
6512 170 H 41.6435 24.5699 5.25864 0.0039502 0.000459163 -0.0127522 22
6513 171 H 41.7189 22.3992 4.16515 0.00236088 0.00110916 0.00857178 22
6514 172 H 43.4934 22.4341 4.05786 0.0021459 0.00173376 0.0169518 22
6515 173 H 41.4911 24.173 2.58945 -0.00135944 -0.00187083 -0.0012965 22
6516 174 H 42.4992 22.9398 1.89369 -0.000725378 -0.0134774 0.0157876 22
6517 175 H 44.5709 24.471 2.56951 -0.00283415 0.00307011 -0.00829876 22
6518 176 H 43.3946 25.6831 3.06087 -0.00878377 -0.00140686 0.000866134 22
6519 177 H 43.4066 25.2226 1.4047 0.00681947 0.00975285 0.00204906 22
6520 178 H 39.0647 19.7781 14.3597 0.00533604 0.00302447 -0.00481086 22
6521 179 H 37.6932 20.8458 14.2411 0.000888893 -0.00394635 0.00158695 22
6522 180 H 39.4118 22.3434 12.756 -0.00188445 -0.00374422 -0.0132612 22
6523 181 H 40.2242 20.7858 12.6384 0.00191201 -0.000176059 0.00145203 22
6524 182 H 37.7664 19.9998 11.8282 -0.00659501 0.00114988 0.0054824 22
6525 183 H 37.5539 21.7419 11.5636 -0.00557967 -0.00897857 -0.0025825 22
6526 184 H 39.5358 21.7686 10.0546 0.000642756 0.000251642 -0.00451931 22
6527 185 H 39.7996 20.0412 10.3526 -0.0116286 -0.00518125 0.00374094 22
6528 186 H 37.5538 19.5459 9.37848 -0.0103519 0.00352385 -0.00683346 22
6529 187 H 37.2649 21.2787 9.13368 -0.010746 -0.0113665 -0.00601505 22
6530 188 H 39.5759 19.7864 7.7962 0.00423291 0.00129666 0.0109357 22
6531 189 H 37.943 19.6947 7.20709 -0.00113806 0.00887445 -0.00788054 22
6532 190 H 37.9541 22.2733 7.24449 -0.00187781 -0.00157808 0.00480354 22
6533 191 H 39.6755 22.1673 7.20338 0.00507564 -0.00730405 -0.00777147 22
6534 192 H 39.6681 20.692 5.14995 0.00691628 0.0117083 0.00517729 22
6535 193 H 37.9122 20.702 5.15891 0.00806604 -0.00756079 -0.00580675 22
6536 194 H 37.998 23.2066 4.88376 0.00544641 0.0103981 0.00173163 22
6537 195 H 39.6991 23.1835 4.71352 0.000243498 0.00343099 -0.0142003 22
6538 196 H 37.5911 21.7626 2.98979 0.00643996 -0.0163693 -0.0105472 22
6539 197 H 38.4437 23.194 2.53103 0.00629721 -0.00662409 -0.00790182 22
6540 198 H 40.5711 21.7188 2.3926 0.00705851 -0.0130688 0.00138516 22
6541 199 H 39.6543 20.3432 2.94704 0.00598541 0.000872488 0.0005755 22
6542 200 H 39.7116 20.2491 0.496438 0.00478658 0.0177579 -0.00932187 22
6543 201 H 38.0718 20.5987 0.991766 6.8763e-05 -0.00886739 -0.00416271 22
6544 202 H 39.1393 21.9534 0.436169 -0.00267295 -0.000431522 -0.0111384 22
6545 203 H 41.5356 25.9488 14.8916 0.00190309 0.0161679 -0.00292491 22
6546 204 H 40.2161 25.1041 13.9697 0.00223523 -0.00389495 0.00672995 22
6547 205 H 39.7434 27.517 13.0783 -0.00726681 -0.00356911 0.014512 22
6548 206 H 41.2754 28.0164 13.626 0.00353385 0.00244559 -0.00770612 22
6549 207 H 42.3255 26.2493 12.0699 0.00333638 -0.00156026 -0.0149351 22
6550 208 H 40.684 25.9324 11.5082 0.023243 -0.00780577 -0.0147439 22
6551 209 H 40.4148 28.3337 10.7809 -0.00243521 -0.0110418 -0.00765816 22
6552 210 H 42.0692 28.6956 11.301 0.0100509 -0.00751661 -0.00087247 22
6553 211 H 42.7114 26.7589 9.61884 0.0146053 0.0162722 0.00259018 22
6554 212 H 41.1245 27.0939 8.91907 -0.0102419 0.00441486 0.0066075 22
6555 213 H 41.662 29.5432 8.83272 0.00460891 0.000608921 -0.00559487 22
6556 214 H 43.2568 29.1772 9.38227 -0.00521363 -0.0104676 0.00653621 22
6557 215 H 43.226 29.4518 6.95108 0.0151553 -0.00300995 0.0022035 22
6558 216 H 43.7281 27.8175 7.41743 0.00436043 0.00627099 0.00314643 22
6559 217 H 41.5069 26.8711 6.76472 -0.0116946 0.00717091 0.00169863 22
6560 218 H 40.8789 28.4101 6.40354 0.0163716 0.0156106 0.000716649 22
6561 219 H 43.2555 27.0943 4.87244 -0.00126542 -0.00318743 0.0142502 22
6562 220 H 41.5494 26.9313 4.45268 0.00473774 -0.0111196 0.00775076 22
6563 221 H 41.4932 29.4458 4.00868 -0.00503354 -0.00493528 -0.000653121 22
6564 222 H 43.2113 29.5502 4.46772 -0.00078675 -0.00967806 0.00473692 22
6565 223 H 43.0366 29.7143 2.1675 -0.00912712 0.00263338 0.00136274 22
6566 224 H 43.8658 28.1957 2.56152 -0.0016762 0.00108961 -0.00332719 22
6567 225 H 40.9327 28.5185 1.70862 0.00228948 0.00341988 0.0111255 22
6568 226 H 42.2683 27.8259 0.708107 -0.00118639 0.00326641 0.00161033 22
6569 227 H 41.6887 26.9545 2.15705 -0.0172158 -0.00158291 -0.003382 22
6570 228 H 30.4794 24.9486 33.2549 0.0125204 0.00542398 -0.00655832 22
6571 229 H 30.1614 23.2098 32.8024 -0.00402274 -0.00206632 0.00524648 22
6572 230 H 30.8022 22.3975 34.8567 -0.010538 0.00275624 -0.00293021 22
6573 231 H 31.5678 23.9181 35.3661 -0.00663076 0.0136029 0.00414363 22
6574 232 H 29.6259 25.0506 35.4345 -0.00858189 -0.000650885 -0.00476095 22
6575 233 H 28.6078 23.8126 34.6108 -0.00502454 0.00899029 0.00145099 22
6576 234 H 27.942 24.063 36.9374 0.00033047 0.00273187 -0.000620669 22
6577 235 H 28.6715 22.4929 36.8391 0.00210744 0.00253062 -0.00250029 22
6578 236 H 30.7683 23.2962 37.9089 -0.00418323 -0.00149762 -0.00551951 22
6579 237 H 30.167 24.9808 37.8477 0.00228321 0.00139518 0.00106746 22
6580 238 H 28.5618 24.7618 39.4039 -0.00300769 -0.00047198 0.00357157 22
6581 239 H 28.3149 23.0274 39.1553 0.0074102 -0.00863949 -0.0145331 22
6582 240 H 30.4187 22.5103 40.5033 -0.0061866 -0.00396286 0.00756545 22
6583 241 H 30.7838 24.2023 40.4166 -0.00346799 0.0070976 0.000702097 22
6584 242 H 28.7254 24.7009 41.7174 -0.0073084 -0.0050843 -0.00974467 22
6585 243 H 28.2665 22.9885 41.7936 -0.00798599 0.00231559 -0.0182642 22
6586 244 H 30.2757 22.436 43.0763 -0.00117695 -0.00365119 -0.0129507 22
6587 245 H 30.9112 24.0826 42.9019 -0.00777305 0.00605401 0.00282441 22
6588 246 H 29.0046 24.9027 44.3083 0.00374415 0.00266593 0.00134533 22
6589 247 H 28.4387 23.2499 44.5227 -0.00845175 0.00537864 -0.0193696 22
6590 248 H 30.2929 22.6052 45.801 0.00511888 -0.00246033 -0.0145744 22
6591 249 H 31.2305 24.0402 45.4375 0.00868549 -0.0154752 0.0015755 22
6592 250 H 28.5897 24.1922 47.0365 0.000176014 0.0116339 -0.00387522 22
6593 251 H 30.169 23.991 47.7905 -0.00359386 -0.00748582 0.00526224 22
6594 252 H 29.7814 25.4592 46.8245 -0.0026953 4.20921e-05 0.0107234 22
6595 253 H 35.346 28.0119 33.2654 -0.00220409 -0.00724411 -0.00105969 22
6596 254 H 35.5423 27.1524 34.8727 0.00888108 0.00884142 0.00714982 22
6597 255 H 38.0343 27.0788 34.3424 0.00646184 0.0105509 0.0229535 22
6598 256 H 37.7916 28.5284 33.4383 0.00402632 -0.000945875 -0.000688153 22
6599 257 H 38.5065 29.0179 35.7683 -0.00166767 -0.0127555 0.0108159 22
6600 258 H 36.9896 29.7286 35.3631 0.0124846 0.00238056 -0.0212759 22
6601 259 H 35.8369 28.113 36.8721 -0.000142931 -0.0172292 0.00529605 22
6602 260 H 37.2164 26.9599 36.7243 0.00190853 0.00210592 -0.00558 22
6603 261 H 38.6531 28.4674 37.9048 -0.00552401 0.00534641 -0.00100464 22
6604 262 H 37.3615 29.6477 38.1857 0.00325084 0.00325529 -0.00110474 22
6605 263 H 36.1284 28.2348 39.6468 0.00259894 -0.00212303 -0.00114153 22
6606 264 H 36.876 26.7798 38.9731 -0.000331079 -0.00432823 -0.0078468 22
6607 265 H 38.9989 27.1707 40.1084 -0.00091433 -0.00107889 0.00154189 22
6608 266 H 38.4966 28.8204 40.6148 0.00791274 -0.00738085 0.0203151 22
6609 267 H 37.066 26.2875 41.4381 -0.00565322 -0.000148329 0.000677503 22
6610 268 H 38.4373 26.9681 42.3264 0.0121489 0.00937394 -0.00892234 22
6611 269 H 37.001 29.291 42.2167 -0.00233157 0.0022984 -0.00133925 22
6612 270 H 35.6278 28.2592 42.0938 0.000807598 0.00445745 -0.00467714 22
6613 271 H 35.876 28.8009 44.4375 -0.0107566 -0.00807633 -0.0053513 22
6614 272 H 36.3206 27.1046 44.2489 0.00512155 -0.0013261 -0.00193692 22
6615 273 H 38.6961 27.6667 44.3091 -0.00279598 -0.00726735 0.00181976 22
6616 274 H 38.4266 29.3346 44.13 -0.010924 0.00967642 0.0097994 22
6617 275 H 37.7434 27.6651 46.6404 0.0154958 -0.00229438 0.0114444 22
6618 276 H 38.9978 28.9698 46.4235 -0.00278372 -0.0123055 0.000471414 22
6619 277 H 37.3151 29.3942 46.4389 -0.00687038 0.00100078 -0.00850702 22
6620 278 H 36.4062 19.331 34.0902 -0.00690021 0.000808837 -0.0105335 22
6621 279 H 37.9363 20.198 34.1596 -0.00163675 0.00152401 -0.0020609 22
6622 280 H 35.8355 20.5109 36.3786 -0.00107177 0.00846162 -0.00311726 22
6623 281 H 37.4731 21.284 36.2328 -0.00485049 0.00615396 0.00258525 22
6624 282 H 38.2103 18.7075 36.0566 1.38472e-05 0.000386222 -0.00255683 22
6625 283 H 36.5847 18.4291 36.6918 -0.00114209 -0.00132421 -0.00544293 22
6626 284 H 38.5093 20.4089 38.1153 -0.00364154 0.00124597 -0.000570463 22
6627 285 H 38.6879 18.6658 38.2583 -0.00205485 -0.00418047 -0.00289336 22
6628 286 H 36.4527 18.3863 39.1876 0.00595513 -0.000675283 -0.00763717 22
6629 287 H 36.1511 20.0866 39.0132 -0.0146477 -0.0154601 -0.00157306 22
6630 288 H 38.0555 20.5515 40.5278 -0.0102531 0.00256567 0.0023998 22
6631 289 H 38.4127 18.8176 40.6775 0.0142281 0.00849676 -0.00375882 22
6632 290 H 36.1177 18.4601 41.6974 0.00576216 -0.00519113 0.00178758 22
6633 291 H 35.8749 20.1776 41.7724 0.00464549 0.00344244 -0.0142385 22
6634 292 H 37.8477 20.4685 43.2148 -0.00214866 -0.000371606 0.00864453 22
6635 293 H 38.2756 18.7985 42.9884 -0.00770833 -0.00975048 -0.00663441 22
6636 294 H 36.2174 18.0643 44.1737 -0.000228244 0.00117642 0.000333884 22
6637 295 H 35.7274 19.7754 44.419 -0.00769856 -0.00641627 0.0077495 22
6638 296 H 38.3371 18.4154 45.3857 -0.00172608 -0.00382029 -0.00053101 22
6639 297 H 36.8442 18.4627 46.3328 -0.00137612 -0.000453865 -0.002775 22
6640 298 H 36.9897 20.9137 46.5697 0.00364778 -3.03008e-05 0.00655365 22
6641 299 H 38.4483 20.9232 45.5177 -0.00749994 0.00475655 -0.00532131 22
6642 300 H 39.112 20.9743 47.9955 0.00302655 0.00115471 -0.00627428 22
6643 301 H 39.7612 19.6002 47.1113 -0.00450426 -0.00456059 -0.00615962 22
6644 302 H 38.3989 19.3331 48.135 0.0110196 0.0017426 0.010138 22
6645 1 C 40.8088 20.3412 31.1162 -0.00182889 -0.00141546 0.00039149 23
6646 2 C 40.9891 20.2352 29.7633 0.00121258 -0.000276245 0.000684604 23
6647 3 C 40.5067 19.1111 29.0959 -0.000884891 0.00362994 0.000580747 23
6648 4 C 39.8806 18.0898 29.7757 -0.0017909 -0.000478322 -0.00336205 23
6649 5 C 39.716 18.1373 31.1656 -0.00157912 -0.000187575 -0.00126011 23
6650 6 C 40.156 19.3103 31.8517 0.00461968 0.00130186 0.000542778 23
6651 7 C 35.3024 16.5984 30.5617 -0.00272435 4.47462e-05 -0.00116183 23
6652 8 C 35.4656 16.557 29.182 -0.000313571 -0.00238007 0.00124155 23
6653 9 C 36.7575 16.6534 28.6621 -0.00118694 -0.0030084 0.00129777 23
6654 10 C 37.8682 16.7304 29.5296 0.0026878 -0.00143808 1.28276e-05 23
6655 11 C 37.6776 16.8076 30.9501 -0.00301896 -0.000115167 0.000333233 23
6656 12 C 36.3597 16.7972 31.4413 0.0019243 0.00174577 0.00104114 23
6657 13 C 41.1087 13.552 31.3445 -0.000498604 -0.00120532 -0.00056148 23
6658 14 C 41.1892 13.5231 29.9227 -0.000699312 0.00222787 -0.00286137 23
6659 15 C 40.5708 14.5272 29.1705 0.000685008 -0.00224955 0.0024349 23
6660 16 C 39.9371 15.6191 29.8453 -0.00304783 -0.00148657 -0.00438112 23
6661 17 C 39.3105 16.7965 29.1271 -0.00210764 -0.000984599 0.000947053 23
6662 18 O 40.3035 14.483 33.4147 -0.00159982 -0.0024092 -0.00125884 23
6663 19 O 36.0951 16.9495 32.8205 -0.00191595 -4.33816e-05 0.00139462 23
6664 20 O 40.1061 19.4705 33.2243 0.00170429 -0.000358217 0.0014802 23
6665 21 C 40.3854 14.5486 32.0269 0.00327334 0.00192775 -0.00144989 23
6666 22 C 39.532 16.8461 27.6742 -0.00406808 -0.00223828 0.000288543 23
6667 23 C 39.9463 16.8981 26.5185 -0.0026622 -0.00177271 -0.000417773 23
6668 24 C 40.7116 17.0176 25.3088 0.00263433 0.000131893 0.00132362 23
6669 25 C 40.5696 18.1294 24.4581 -0.00167045 -0.000839295 -0.00277833 23
6670 26 C 41.4771 18.243 23.3639 0.000899538 0.00351183 -0.0018677 23
6671 27 C 42.4628 17.2875 23.1079 4.97147e-05 0.00182882 0.00291792 23
6672 28 C 42.6104 16.1792 23.9919 -0.000872767 -0.00417131 -0.000470229 23
6673 29 C 41.7143 16.0864 25.1028 0.000872446 6.2096e-05 -0.000810817 23
6674 30 C 43.2321 17.3625 21.9259 -0.00606743 0.00236641 -0.00100847 23
6675 31 C 43.7657 17.3114 20.8307 0.00297779 0.00120574 -0.00295055 23
6676 32 C 42.456 13.8116 18.7003 -0.00294752 0.00235483 0.000851053 23
6677 33 C 42.7794 13.6984 17.352 0.00080548 -0.000601527 -0.000740113 23
6678 34 C 43.527 14.687 16.6682 -0.00103916 -0.0023181 -0.00103392 23
6679 35 C 43.8389 15.8566 17.3639 0.000214535 -0.00179215 -0.000489538 23
6680 36 C 43.5937 15.9379 18.7555 0.00033837 0.00212671 -0.0048585 23
6681 37 C 42.8658 14.9311 19.3912 -0.00152787 0.000472364 -0.00381385 23
6682 38 C 44.1521 17.1863 19.4087 -0.00117794 0.00118487 0.000491444 23
6683 39 C 47.9689 17.0834 19.561 0.00122311 0.00380659 0.00268237 23
6684 40 C 48.2657 17.099 18.1429 0.00149506 -5.64354e-05 -0.00374883 23
6685 41 C 47.199 17.1358 17.2249 -0.00050472 -0.00264556 -0.00238903 23
6686 42 C 45.8794 17.1351 17.704 0.00123073 -0.00192653 0.0017522 23
6687 43 C 45.6242 17.2079 19.0747 -0.00262603 0.00205051 -0.0042325 23
6688 44 C 46.6815 17.2045 20.0037 0.00241965 -0.00520189 -0.00138639 23
6689 45 C 42.3646 20.4431 18.1231 -0.00136935 -0.000527155 0.00214272 23
6690 46 C 42.463 20.204 16.7225 0.000661005 -0.00133259 -0.00553022 23
6691 47 C 43.2415 19.1252 16.2688 0.00282502 -0.00169166 -0.00322411 23
6692 48 C 43.8048 18.2609 17.1835 -0.00297599 -0.00299671 0.000849119 23
6693 49 C 44.6359 17.0324 16.812 0.00131999 0.000330889 0.0028689 23
6694 50 C 43.5549 18.3671 18.5774 -0.00189991 -2.45374e-05 0.00234496 23
6695 51 C 42.8857 19.5065 19.0559 -0.0014546 -0.00227408 -0.000923469 23
6696 52 O 47.4455 17.3187 15.8762 -4.33361e-05 0.000512642 0.00273882 23
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6698 54 O 43.4025 18.8693 14.8911 -0.00125632 0.00297839 -0.00172635 23
6699 55 C 38.9955 16.855 31.7853 0.00205884 0.00399572 0.00552671 23
6700 56 C 39.8336 15.6061 31.2483 0.00304442 0.00138987 -0.00208675 23
6701 57 C 47.9392 16.3228 15.0267 -0.00118646 -0.00030804 -0.00118318 23
6702 58 C 47.6545 16.713 13.5805 0.00254174 -0.00356202 -0.00219717 23
6703 59 C 46.193 16.9769 13.1593 -7.23501e-05 -0.00377664 0.00273495 23
6704 60 C 45.9522 17.0539 11.6592 -0.000676436 0.000184582 -0.00351473 23
6705 61 C 46.6746 15.9703 10.8668 -0.00122389 -0.00407749 0.00109409 23
6706 62 C 46.1398 15.61 9.50719 0.00167994 -0.00263387 -0.000324093 23
6707 63 C 46.1924 16.6664 8.3892 -0.000479258 0.00233232 -0.000667131 23
6708 64 C 46.1341 15.9922 6.99553 -0.0018275 0.00188398 0.00546068 23
6709 65 C 46.3772 16.9635 5.81062 0.000139002 0.0004798 -0.000319055 23
6710 66 C 46.3128 16.2219 4.44478 -0.00119301 0.00114022 0.00126903 23
6711 67 C 46.4397 17.1228 3.22202 0.00210746 0.00316433 0.0015846 23
6712 68 C 46.686 16.3384 1.93392 -0.000170722 -0.00361315 0.00104965 23
6713 69 F 41.3212 19.3229 22.5445 0.00102633 -0.00101395 -0.00147036 23
6714 70 C 44.3195 13.1876 14.9487 0.00271114 0.00137773 -0.00209932 23
6715 71 C 45.2617 13.2748 13.7348 2.4766e-06 -0.000489533 0.00173323 23
6716 72 C 44.7095 13.2088 12.3101 0.00448615 0.000751208 -0.00299407 23
6717 73 C 45.6837 12.4143 11.3795 -0.00269233 -0.0037283 0.00035122 23
6718 74 C 45.0873 12.137 9.94328 0.00226194 -0.000902908 0.00112528 23
6719 75 C 46.0039 11.1007 9.20025 -0.0021112 9.6547e-05 -0.00147062 23
6720 76 C 46.7925 11.7666 8.10738 0.0001694 -0.000616452 -0.00266495 23
6721 77 C 45.9192 12.2127 6.91417 4.54045e-05 -0.000106068 -0.00283546 23
6722 78 C 46.7876 12.4142 5.65419 -0.00091123 0.00179304 -0.00256102 23
6723 79 C 45.9539 12.4082 4.38374 -0.00103299 -0.00188185 -0.000507169 23
6724 80 C 46.739 12.5921 3.10915 -0.0023556 -0.00462707 0.00458657 23
6725 81 C 45.8909 12.348 1.82262 -0.00116227 -4.34795e-05 -0.00241714 23
6726 82 C 42.3676 19.0986 13.9103 1.33856e-05 0.00105908 -0.00131542 23
6727 83 C 43.0206 18.6852 12.5704 0.000787149 -0.00183602 -0.0058189 23
6728 84 C 42.293 19.0487 11.3045 0.000449111 0.00116545 -0.00259822 23
6729 85 C 43.1479 18.9407 10.0297 -0.00121194 0.000468109 0.0033461 23
6730 86 C 42.2366 19.2391 8.80096 0.00219416 0.00421778 -0.00123699 23
6731 87 C 43.029 19.6833 7.57069 0.0019589 0.00334538 -0.000215371 23
6732 88 C 42.1855 19.8966 6.31629 0.00317261 -0.000346973 -0.0018 23
6733 89 C 41.8599 18.5641 5.61458 -0.00165135 0.000838043 -9.8546e-05 23
6734 90 C 42.8031 18.3248 4.40693 -0.00258247 0.00069989 0.00588779 23
6735 91 C 42.3743 19.1232 3.17963 -3.33114e-05 0.00109023 -0.00085895 23
6736 92 C 43.178 18.8554 1.92823 0.00157102 0.000991604 0.00431633 23
6737 93 C 43.2482 17.3572 1.50243 0.00308557 0.000700927 -0.000234691 23
6738 94 C 34.7522 16.8078 33.281 -0.000104379 0.00160804 -0.000254624 23
6739 95 C 34.6731 17.0397 34.8049 -0.00215777 -0.000982169 0.000232657 23
6740 96 C 33.2083 16.8297 35.285 -0.0012818 -0.0028896 0.00516098 23
6741 97 C 32.7858 17.3973 36.6668 4.11614e-05 0.000857369 -0.00302093 23
6742 98 C 33.7186 17.1828 37.8571 -0.00305532 -0.0019563 -0.000487072 23
6743 99 C 32.9605 17.4699 39.1992 0.000788649 0.00321299 0.00201191 23
6744 100 C 33.6565 17.0134 40.503 0.00105157 0.00212856 0.00100012 23
6745 101 C 32.8282 17.3616 41.7241 0.00302277 -0.00471044 -0.00572032 23
6746 102 C 33.5415 16.868 43.0191 4.60277e-05 -0.000908413 -0.00174798 23
6747 103 C 32.7147 17.1173 44.3196 0.00289534 0.00137697 -0.00319779 23
6748 104 C 33.4982 16.4939 45.4791 -0.00496271 -0.00139014 0.00139662 23
6749 105 C 32.8656 16.5566 46.872 -0.00360533 0.00432075 -0.000237147 23
6750 106 C 40.7343 20.6086 33.8501 0.000125338 0.00148419 -0.00627747 23
6751 107 C 40.6278 20.67 35.3955 0.00638522 -0.00437814 0.00083554 23
6752 108 C 41.3731 21.955 35.9107 -0.000525623 -0.00247655 0.00391085 23
6753 109 C 41.0435 22.3558 37.3497 0.00213051 0.00105513 -0.000919035 23
6754 110 C 42.1708 22.0916 38.3677 0.00274721 -0.00230857 -0.00281184 23
6755 111 C 42.0988 20.6769 38.9664 0.000748281 -0.00220854 0.00599228 23
6756 112 C 41.0531 20.5666 40.075 0.00100744 0.00131656 0.00144453 23
6757 113 C 41.5966 20.9489 41.4717 0.000822931 -0.00100046 -0.000815928 23
6758 114 C 40.6083 20.5569 42.5602 0.00334518 -0.0039305 0.00215742 23
6759 115 C 41.1659 20.5338 44.0108 -0.00225025 0.0017803 -0.000786727 23
6760 116 C 41.9027 21.8096 44.4968 -0.000328756 0.00138099 0.0005051 23
6761 117 C 42.2977 21.7176 45.9817 -0.000271375 -0.00408762 -0.00312553 23
6762 118 C 41.1287 13.5825 34.2236 0.006116 -0.000899787 0.000868959 23
6763 119 C 40.7061 13.5342 35.7294 0.00167204 0.00326973 -0.00296829 23
6764 120 C 41.555 12.5073 36.4938 0.000669735 -0.00317118 -0.000920633 23
6765 121 C 41.9623 12.9804 37.9207 0.00303123 0.0012907 0.00249637 23
6766 122 C 41.0097 12.5328 39.0573 0.00205949 -0.00142255 0.00154903 23
6767 123 C 41.6991 12.8592 40.3976 -0.00103 0.000408104 0.00556691 23
6768 124 C 40.7907 12.59 41.6484 -0.00434124 0.00350786 0.00189084 23
6769 125 C 41.5155 12.9405 42.9071 -0.000837682 -0.00170607 0.00465076 23
6770 126 C 40.6087 12.8326 44.1822 0.00130126 -0.000123365 -0.00378791 23
6771 127 C 41.2283 13.5083 45.4276 9.97308e-05 -0.00174061 0.00414607 23
6772 128 C 42.1252 12.5942 46.2171 -0.00165196 -0.00431341 -0.000836461 23
6773 129 C 41.3627 11.5397 47.0726 0.00145396 -3.67974e-05 0.00060711 23
6774 130 F 39.6195 19.0225 24.6589 0.00344957 0.000932265 0.00275534 23
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6776 132 H 41.4817 21.0491 29.2395 0.00348934 -0.00415513 -0.00318671 23
6777 133 H 40.582 19.1158 28.0125 -0.00599989 0.00904831 0.000240612 23
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6788 144 H 42.636 14.9713 20.4518 -0.00851057 0.0123409 -0.00578453 23
6789 145 H 48.7779 17.0336 20.2837 0.00410875 -0.00793508 -0.00135686 23
6790 146 H 49.264 17.0295 17.7212 0.00344394 0.00134713 0.000657161 23
6791 147 H 46.4634 17.177 21.0673 0.0158074 0.00192417 0.00152166 23
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6793 149 H 42.0075 20.8746 15.9999 0.00634405 0.000310385 -0.00759683 23
6794 150 H 44.8571 16.8908 15.7469 0.016037 -0.0117917 0.00752072 23
6795 151 H 42.6632 19.6487 20.1093 0.0199494 -0.0131715 0.00503391 23
6796 152 H 38.8284 16.8629 32.8695 -0.00415753 -2.87419e-05 0.00460206 23
6797 153 H 49.0066 16.2393 15.2659 -0.00178337 0.00146982 0.00214581 23
6798 154 H 47.4051 15.3906 15.2483 4.75781e-05 -0.00315479 -0.0102225 23
6799 155 H 48.0244 15.8233 13.056 -0.00167383 -0.0045908 -0.00343262 23
6800 156 H 48.2184 17.6115 13.3012 0.000911716 -0.00362639 -0.00569811 23
6801 157 H 45.8048 17.8878 13.6316 -0.00685919 -0.0111488 0.0113738 23
6802 158 H 45.5868 16.1452 13.5392 -0.00187921 0.00372582 0.0162534 23
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6806 162 H 47.7599 16.1206 10.8127 -0.00280218 0.0118841 0.0144222 23
6807 163 H 45.0982 15.3141 9.68298 0.00063538 -0.00651174 -0.0130868 23
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6809 165 H 47.1999 17.0999 8.40638 0.00515816 -0.0108465 0.0032885 23
6810 166 H 45.4184 17.4318 8.5249 0.00235693 0.00601973 -0.00532417 23
6811 167 H 45.1482 15.5316 6.85692 -2.89162e-05 0.000997032 -0.00440663 23
6812 168 H 46.8909 15.1981 6.99334 0.0101685 0.0132987 0.008633 23
6813 169 H 47.3577 17.4549 5.83221 0.00463105 -0.00852999 0.0008279 23
6814 170 H 45.5834 17.72 5.77953 -0.00197901 -0.00146638 0.00672134 23
6815 171 H 45.3724 15.6639 4.35725 -0.00465033 0.00713064 0.0001998 23
6816 172 H 47.146 15.5154 4.34458 -0.00746502 -0.00697506 0.00654997 23
6817 173 H 47.3444 17.7207 3.38752 0.00419996 -0.0013559 0.00652179 23
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6820 176 H 47.6247 15.7769 2.01707 0.00203652 -0.00229485 -0.0151546 23
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6825 181 H 45.8889 12.3779 13.8094 0.00292329 0.00183738 0.00508167 23
6826 182 H 43.8046 12.5913 12.3658 0.0131942 -0.0113443 0.00464182 23
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6828 184 H 46.6212 12.956 11.2033 -0.00170672 -0.00656878 -0.00316281 23
6829 185 H 45.9614 11.4699 11.8635 -0.00204988 -0.0048072 -0.00212506 23
6830 186 H 44.0895 11.7011 10.0767 -0.00072704 0.00700531 0.00461773 23
6831 187 H 44.9016 13.0688 9.39498 -0.0122794 -0.00735723 -0.00492835 23
6832 188 H 46.728 10.6759 9.90634 -0.00179949 0.0110031 0.0047971 23
6833 189 H 45.444 10.2851 8.72608 -0.00252503 -0.00883493 0.014448 23
6834 190 H 47.3102 12.639 8.5248 -0.00583204 -0.00488965 0.0137284 23
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6836 192 H 45.2789 11.3412 6.73021 0.00139152 -0.0005573 -0.0053871 23
6837 193 H 45.3346 13.1107 7.14938 0.00489016 0.00301677 -0.00269219 23
6838 194 H 47.3684 13.3336 5.79864 0.00049812 0.00169455 -0.00767098 23
6839 195 H 47.5309 11.608 5.62495 -0.00300958 -0.000321442 0.00213491 23
6840 196 H 45.3014 11.5298 4.30531 0.00614418 -0.00641146 -0.00943413 23
6841 197 H 45.2831 13.2755 4.41731 0.00603189 0.0033503 0.00536581 23
6842 198 H 47.222 13.577 3.09676 -0.00759932 -0.00204973 0.00559722 23
6843 199 H 47.5645 11.8698 3.09552 -0.000400591 -0.00236621 0.003107 23
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6848 204 H 42.1289 20.1693 13.9116 -0.00494529 -4.52966e-05 -0.00693295 23
6849 205 H 44.0363 19.0977 12.6092 -0.00419537 0.0113147 -0.016105 23
6850 206 H 43.1012 17.5913 12.5536 -0.0060368 -0.00244941 0.001464 23
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6852 208 H 41.9229 20.0752 11.4166 -0.00361747 -0.00191714 0.0123088 23
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6857 213 H 43.5309 20.6336 7.79073 -0.00456573 0.00478488 0.00845597 23
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6860 216 H 42.6615 20.5746 5.59713 0.00645733 -0.00754514 -0.00641555 23
6861 217 H 41.8959 17.7435 6.34167 -0.00238183 0.00492748 0.0045645 23
6862 218 H 40.8164 18.666 5.29186 -0.00244587 0.00928329 0.00507678 23
6863 219 H 43.8472 18.5348 4.66999 5.4853e-05 -0.00134807 -0.00293935 23
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6865 221 H 41.3381 18.8645 2.92933 -0.00790266 0.0115977 0.0208659 23
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6868 224 H 44.2312 19.1377 2.04834 0.00231496 -0.00164809 0.00407214 23
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6870 226 H 42.2833 16.869 1.3179 -0.00523879 0.0130153 0.0108771 23
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6872 228 H 34.1293 17.5554 32.7746 -0.00194679 -0.0117859 -0.0177172 23
6873 229 H 34.4082 15.7807 33.1079 -0.000958784 0.00122198 0.00368343 23
6874 230 H 35.2659 16.3077 35.3672 -0.00409982 -0.00344643 -0.000929562 23
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6876 232 H 32.5404 17.2237 34.5091 -0.00768496 -0.00245076 0.0109116 23
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6880 236 H 34.0703 16.1441 37.8282 0.00196339 -0.000312081 0.00136402 23
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6885 241 H 34.6751 17.4161 40.5641 0.00680872 -0.0133956 0.00796343 23
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6893 249 H 34.5034 16.9328 45.4949 -0.00615495 0.0019343 -0.014077 23
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6895 251 H 33.3069 15.8193 47.5538 -0.013741 -0.000517846 0.00110255 23
6896 252 H 33.0156 17.5514 47.3094 -0.0124926 0.00449846 0.0024047 23
6897 253 H 41.7839 20.7429 33.5607 0.000654142 0.00477502 -0.00287206 23
6898 254 H 40.2366 21.5059 33.4619 -0.00127853 0.00370297 0.00065645 23
6899 255 H 39.5951 20.6157 35.7615 0.00367263 0.000685492 -0.00616649 23
6900 256 H 40.9694 19.7406 35.8676 0.00300055 -0.00373463 0.00458148 23
6901 257 H 42.457 21.8005 35.8427 -0.00329641 -0.0167365 -0.00777407 23
6902 258 H 41.122 22.7666 35.2167 0.0152992 -0.000116252 0.000960484 23
6903 259 H 40.8616 23.4373 37.3212 0.0139308 0.00336823 0.0120027 23
6904 260 H 40.0889 21.8677 37.5821 -0.000172381 0.0152289 0.0191662 23
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6906 262 H 42.1572 22.7918 39.2121 -0.0166849 0.00130441 -0.00615578 23
6907 263 H 41.9562 19.8867 38.2189 0.00824873 -0.00123228 0.00351687 23
6908 264 H 43.0971 20.4359 39.3521 0.00804867 -0.00789379 -0.0163448 23
6909 265 H 40.1732 21.1664 39.8115 0.00184274 0.00321957 0.00299809 23
6910 266 H 40.6741 19.5374 40.0506 -0.00274912 0.00288206 -0.0068934 23
6911 267 H 42.5324 20.3995 41.6326 -0.00123726 -0.00573684 -0.00500115 23
6912 268 H 41.8317 22.0177 41.5478 0.00827215 -0.00234277 -0.00499687 23
6913 269 H 39.7477 21.2332 42.4865 0.0108256 0.00502568 -0.00302185 23
6914 270 H 40.2618 19.5467 42.3093 0.00315519 -0.000819951 -0.0101501 23
6915 271 H 40.2859 20.3502 44.6396 -0.000711807 -0.00164404 0.000359075 23
6916 272 H 41.8274 19.6666 44.1282 -0.0037214 0.00123195 0.00345833 23
6917 273 H 42.8036 21.9428 43.8853 -0.000353041 -0.000485957 6.05366e-05 23
6918 274 H 41.2557 22.6849 44.36 -0.0055476 -0.00177639 0.00497022 23
6919 275 H 43.055 22.4579 46.2678 0.00242898 -0.00697559 -0.00280475 23
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6930 286 H 40.8248 11.4532 38.9955 0.0136372 -0.00382139 0.00877406 23
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6950 4 C 44.0065 24.9451 29.7731 -0.000423218 -0.00291004 0.000702659 24
6951 5 C 43.7833 25.0623 31.1637 0.00218097 -0.00202261 -0.000580424 24
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6960 14 C 44.9869 20.3425 30.3019 -0.00106198 -0.00140312 0.00478546 24
6961 15 C 44.6108 21.3815 29.4496 -0.00199614 -0.000698467 0.00466634 24
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6978 32 C 46.1377 20.602 18.4712 -0.00235372 -0.00244855 -0.000908464 24
6979 33 C 46.2043 20.6343 17.0576 0.00124144 0.00214398 0.003857 24
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7002 56 C 43.7355 22.5927 31.3628 -0.00256504 0.000174551 0.00177849 24
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7021 75 C 46.9401 20.9758 7.87008 0.00201466 0.00035113 0.00218591 24
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7027 81 C 46.679 21.083 0.861562 -0.00567861 0.000435094 -0.00134602 24
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7029 83 C 48.5612 26.8687 13.0219 0.0018247 0.000829345 0.000985657 24
7030 84 C 49.4196 27.8903 12.3083 0.00150111 0.0033075 0.000479146 24
7031 85 C 49.2096 27.7045 10.8094 0.000470027 0.0015185 -0.000964977 24
7032 86 C 50.2233 28.4588 9.92647 -0.00180747 -0.00148417 -0.00127122 24
7033 87 C 49.8749 28.5772 8.41479 -0.00266419 -0.00305671 -0.00452432 24
7034 88 C 49.7574 27.2245 7.718 7.15799e-05 -0.00053576 -0.00358716 24
7035 89 C 49.5572 27.3617 6.16834 6.4025e-05 -0.00444118 -0.00533026 24
7036 90 C 50.7822 27.9569 5.43504 0.00258515 0.00178709 0.00377889 24
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7038 92 C 49.6588 28.3323 3.21651 8.32928e-05 -0.000786125 -0.00173015 24
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7041 95 C 38.5565 23.7408 34.7781 -0.00110085 0.00248574 0.000299839 24
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7045 99 C 37.1271 23.4257 39.1833 -0.000510372 0.00271165 0.00259983 24
7046 100 C 38.0043 23.6394 40.4508 0.000703229 0.000535192 -0.00340647 24
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7048 102 C 37.9777 23.7292 43.0354 -0.00194626 0.00396845 -0.00093283 24
7049 103 C 37.078 23.464 44.238 0.000883777 -0.000951715 8.31242e-05 24
7050 104 C 37.4629 24.1769 45.563 0.00222557 0.000733448 -0.000347757 24
7051 105 C 38.8886 23.8835 46.0859 0.000146011 -0.00220411 -0.0037574 24
7052 106 C 44.1943 27.6144 34.009 7.08961e-05 0.00419557 0.000375968 24
7053 107 C 44.9354 27.3629 35.3141 -0.00206361 0.00569774 -0.00109235 24
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7055 109 C 45.8345 28.2845 37.5332 0.000835637 -0.00236938 0.00144211 24
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7057 111 C 44.6894 28.8809 39.7896 0.00108199 -0.000429166 0.000877779 24
7058 112 C 45.2548 27.9806 40.8965 -0.00491468 -0.000647884 -0.00173063 24
7059 113 C 46.1279 28.7077 41.8785 -0.000937306 0.00117118 -0.000638154 24
7060 114 C 45.4298 29.1357 43.2138 0.000853817 0.00243378 -0.0026753 24
7061 115 C 45.5331 28.065 44.3066 0.000844054 -0.000909033 -0.00573549 24
7062 116 C 44.9732 28.5406 45.6914 -0.00132111 -0.00358967 0.000963609 24
7063 117 C 45.3489 27.6573 46.9328 -0.000635132 0.00109584 0.000362482 24
7064 118 C 44.7707 20.9432 34.5535 0.000661401 0.000976432 0.000187032 24
7065 119 C 44.4051 19.5045 34.9695 0.0034186 -0.000979075 -0.00221612 24
7066 120 C 45.328 18.8507 36.0321 -0.000617296 0.000981638 -0.00174393 24
7067 121 C 45.0724 19.4268 37.4677 0.00174227 0.0041753 -0.0048928 24
7068 122 C 46.3079 19.1395 38.3965 0.0053774 -0.00652766 -0.00227325 24
7069 123 C 46.128 19.6291 39.8585 0.00402739 -0.00365363 0.00649675 24
7070 124 C 45.247 18.6697 40.6648 0.00280731 -0.00156975 0.00358262 24
7071 125 C 44.8941 19.2949 42.0434 0.00231938 0.00187025 0.00100826 24
7072 126 C 45.8242 19.1623 43.2622 -0.000154235 -0.00236727 0.0016193 24
7073 127 C 45.1368 19.6328 44.561 0.00249099 -0.000173897 0.00189177 24
7074 128 C 46.0625 19.5871 45.7443 0.00332689 0.00444858 0.00365623 24
7075 129 C 45.3798 20.1357 47.0339 -0.00276728 -0.00266433 -0.000692363 24
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7260 12 C -2.74744 30.5708 31.317 0.00239446 -0.000542108 0.00269136 25
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7319 71 C 5.09403 26.107 14.1547 -0.0033359 0.00094737 9.34303e-05 25
7320 72 C 5.62258 26.2376 12.71 -0.00120951 0.000801661 0.00514467 25
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7322 74 C 7.29185 25.3665 11.0018 0.000565874 0.000533226 0.0041655 25
7323 75 C 6.32536 25.6725 9.82528 -0.000605339 0.000596873 0.001752 25
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7326 78 C 6.90165 24.8949 6.01962 -0.00104409 -0.0010716 -0.0029713 25
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7335 87 C 3.30407 32.5832 7.74282 0.00076277 0.0013352 0.000589075 25
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7345 97 C -6.12471 30.7378 36.6289 -0.00128846 0.000679171 -0.00223082 25
7346 98 C -5.13746 31.2603 37.6546 -0.00141721 0.00192697 0.00581797 25
7347 99 C -5.85471 31.9886 38.7831 -0.0012335 -0.00327833 -0.00327978 25
7348 100 C -6.56857 31.1066 39.8439 -0.00270652 0.00184101 -0.00118153 25
7349 101 C -5.59924 30.1022 40.4713 -0.00272857 -0.00378348 -0.0036212 25
7350 102 C -5.90969 29.5914 41.8992 -0.000184848 -0.00359535 0.00340665 25
7351 103 C -6.00218 30.6991 42.9986 -0.00182457 -0.000229837 -1.14605e-05 25
7352 104 C -5.75547 30.0331 44.3829 0.00296398 -0.000881022 0.00115228 25
7353 105 C -5.89474 30.9921 45.5585 -9.19104e-05 -0.00394218 -0.0043809 25
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7355 107 C 1.96424 34.8789 34.3941 0.00420867 0.00183729 0.00191732 25
7356 108 C 2.03207 35.6535 35.7539 -0.000395883 0.00211478 0.00585747 25
7357 109 C 1.99437 34.832 37.0588 -0.00423213 -0.00195396 0.00319206 25
7358 110 C 2.18502 35.8417 38.2107 -0.00321468 -0.00352065 -0.00350446 25
7359 111 C 2.3804 35.416 39.6812 0.00460102 -0.000696416 -0.00107308 25
7360 112 C 1.39889 34.4047 40.2653 -0.00126 0.00270056 0.00424933 25
7361 113 C 1.30151 34.4328 41.8122 -0.000362977 0.00159377 -0.00190448 25
7362 114 C 2.62597 34.7955 42.5492 -0.001368 0.00441541 -0.00174571 25
7363 115 C 2.63001 34.5742 44.0825 -0.00169819 -0.00210887 0.00114204 25
7364 116 C 1.41231 35.1281 44.8181 -0.00107734 -0.00352179 -0.00226899 25
7365 117 C 1.65156 35.2329 46.3317 0.000806236 -0.00347231 -0.000450259 25
7366 118 C 1.63583 27.8943 34.4005 -0.00166945 -0.000552927 -0.00214578 25
7367 119 C 1.87852 26.4029 34.6543 -0.00348849 -0.00161093 0.00401073 25
7368 120 C 2.56411 26.058 35.9715 -0.00210061 0.00200672 0.00192774 25
7369 121 C 1.74103 26.4887 37.1966 -0.00267763 -0.000295735 0.000519552 25
7370 122 C 2.32667 26.0477 38.5508 0.00238224 -0.00222837 0.00129647 25
7371 123 C 1.33589 26.3739 39.7303 0.00101285 -0.00316983 -0.00238067 25
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7553 3 C 5.58034 39.5238 29.1253 0.00116567 0.000253115 -0.00126877 26
7554 4 C 5.02522 38.3645 29.7437 -0.00582268 -1.19291e-05 0.00178278 26
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7575 25 C 7.24969 36.3967 25.1561 -0.000647152 -0.00450383 -0.00320734 26
7576 26 C 8.03409 36.4319 23.9689 0.00167874 -0.000921023 0.000393197 26
7577 27 C 7.59054 37.231 22.8976 0.000692 -0.000655382 0.00433136 26
7578 28 C 6.38234 37.9545 22.9935 -0.00181227 0.00423015 -0.00182049 26
7579 29 C 5.64696 37.9383 24.1779 -0.0019296 -0.00147583 -0.000642974 26
7580 30 C 8.28267 37.3041 21.6331 -0.00227555 -0.00229346 0.00136968 26
7581 31 C 8.72681 37.3486 20.5085 -0.000458539 0.00396426 -0.00299712 26
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7584 34 C 7.83702 35.3397 16.1222 0.00268626 0.00200267 0.00129183 26
7585 35 C 8.47186 36.2884 16.9167 0.000790159 0.000569865 -0.000823525 26
7586 36 C 8.31102 36.2555 18.3403 -0.000519036 -0.00265412 -0.000864165 26
7587 37 C 7.52782 35.2538 18.9111 -0.00011505 -0.00203433 -0.00285838 26
7588 38 C 9.02463 37.4109 19.0455 -0.00061778 -0.00071688 0.00118418 26
7589 39 C 12.9247 37.5778 18.8313 -0.00119455 0.00167053 0.00495051 26
7590 40 C 13.0501 37.5999 17.4382 0.00180541 0.00306637 0.00243341 26
7591 41 C 11.9143 37.4216 16.6202 -0.00243401 0.00178707 0.00366994 26
7592 42 C 10.6451 37.3482 17.1797 -0.0033776 -0.000231102 -0.00142542 26
7593 43 C 10.4882 37.3301 18.5946 0.00346301 -0.00163098 -0.00594902 26
7594 44 C 11.662 37.4499 19.4027 0.00296999 -0.000585865 -0.00159975 26
7595 45 C 7.8263 41.0069 18.3847 0.00136333 -0.00133219 0.00316119 26
7596 46 C 8.20412 41.061 17.0394 0.00183025 0.00355491 0.00337876 26
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7854 2 C 9.91404 33.4482 29.7569 -0.00213227 -0.00105171 0.00338116 27
7855 3 C 9.4313 32.2717 29.1666 -0.00258763 -0.00471779 0.00316497 27
7856 4 C 8.75439 31.3001 29.9531 0.0015906 -0.00539428 0.000502798 27
7857 5 C 8.59164 31.5055 31.3775 -0.000372402 -0.0018328 0.000692152 27
7858 6 C 9.12199 32.6885 31.9528 -0.00227748 0.00274904 -0.00469505 27
7859 7 C 4.05906 30.5355 30.7735 -0.00152415 -0.00245459 -0.00087615 27
7860 8 C 4.27985 30.4067 29.4149 -0.000617914 0.000420483 -0.00272213 27
7861 9 C 5.57958 30.1942 28.9396 0.0032588 -0.00548698 0.00216367 27
7862 10 C 6.66704 30.1816 29.8428 0.00244812 -6.37717e-05 -0.00251259 27
7863 11 C 6.45566 30.3661 31.2154 -0.000691324 0.0028113 0.000900988 27
7864 12 C 5.12828 30.5658 31.7001 0.00380136 0.00125509 0.000955855 27
7865 13 C 9.57134 26.818 31.8893 -0.00364549 -0.00110209 0.00390787 27
7866 14 C 9.87811 26.7965 30.5289 -0.00241924 -0.00620076 0.00194592 27
7867 15 C 9.37627 27.7758 29.6724 0.00100287 -0.000336928 -0.000330854 27
7868 16 C 8.67846 28.862 30.2517 0.00332284 0.00035892 -0.00256897 27
7869 17 C 8.13399 30.0194 29.4112 -0.00228446 0.000474545 -0.00295586 27
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7872 20 O 9.02225 32.9284 33.3039 0.00345435 -0.00022638 0.000138208 27
7873 21 C 8.9291 27.9131 32.4775 -0.000113149 -0.00106444 0.00145863 27
7874 22 C 8.3997 29.8887 27.97 0.000268203 0.00492164 0.00285118 27
7875 23 C 8.8182 29.8875 26.8503 -0.00366714 -0.000478488 0.000155481 27
7876 24 C 9.51912 29.9626 25.6051 -0.00101356 -0.000181352 -0.0052328 27
7877 25 C 10.5917 29.1002 25.3543 -0.00179885 -0.00102679 0.00214682 27
7878 26 C 11.3942 29.3419 24.2374 0.00353417 0.00215351 0.00239573 27
7879 27 C 11.1621 30.4431 23.4006 -0.00167586 -0.00193588 0.00399036 27
7880 28 C 10.0786 31.2859 23.6155 -0.0037435 -0.00345044 -0.000173352 27
7881 29 C 9.26433 31.0495 24.7247 0.00310246 -0.00213792 0.00163264 27
7882 30 C 11.9687 30.5522 22.2354 0.00154755 0.000242462 -0.000783063 27
7883 31 C 12.5108 30.6266 21.1343 -0.00278762 -0.000475834 -0.00123598 27
7884 32 C 11.5072 27.2797 18.636 0.00225985 0.00251218 -0.00054134 27
7885 33 C 11.7344 27.38 17.2714 -0.00213842 -0.00163249 0.000274134 27
7886 34 C 12.2963 28.4651 16.6653 0.0027026 -0.00148528 0.00462794 27
7887 35 C 12.6566 29.5527 17.4839 -8.87372e-07 0.0022895 2.70144e-05 27
7888 36 C 12.4235 29.5171 18.9104 0.00425649 0.0032965 -0.00255972 27
7889 37 C 11.8289 28.3489 19.4505 -0.00504005 -0.00241581 -0.00447552 27
7890 38 C 12.8853 30.7401 19.7249 0.0025236 0.00267657 -0.000123787 27
7891 39 C 16.7903 30.891 19.7042 -0.0022856 0.00188906 0.00278687 27
7892 40 C 16.962 31.0504 18.2919 -0.00243636 -0.00228492 -0.00225189 27
7893 41 C 15.8608 31.1615 17.4492 -0.00347525 -0.00148591 -0.00158301 27
7894 42 C 14.5979 30.9231 17.9765 -0.0011095 0.00312922 0.00388644 27
7895 43 C 14.3904 30.8053 19.3625 -0.00428371 0.0010762 0.00282202 27
7896 44 C 15.4833 30.8119 20.2582 -0.00439747 0.00181861 -0.00474629 27
7897 45 C 10.829 33.9489 18.8158 -0.000596767 -0.000469818 0.00021422 27
7898 46 C 10.9752 33.8733 17.4157 -0.0042436 -0.00370914 -0.000281597 27
7899 47 C 11.7254 32.8681 16.8007 0.0017213 0.00607997 -3.53053e-05 27
7900 48 C 12.4022 31.9629 17.5938 0.00171194 0.00518532 -0.000750533 27
7901 49 C 13.3226 30.8499 17.1001 -0.00388077 0.00255338 0.00219506 27
7902 50 C 12.2322 31.9575 19.0139 0.00173654 -0.00286327 -0.000381906 27
7903 51 C 11.3985 32.9502 19.6078 -0.00225315 0.00135218 -0.00139495 27
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7908 56 C 8.48624 28.9905 31.6647 0.000447661 -0.0035564 -0.00203091 27
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7912 60 C 14.6853 31.0268 11.6716 0.000410844 -0.00536587 0.00241181 27
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7915 63 C 14.5762 30.8851 8.68519 -0.00291634 -0.00236136 0.00073736 27
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7920 68 C 13.7247 29.6991 2.34204 0.000281671 0.000530136 -0.0018875 27
7921 69 F 12.4587 28.483 24.0558 3.03681e-06 0.00171765 7.19748e-05 27
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7923 71 C 13.2443 26.9896 13.4317 -0.00193363 -0.00133949 -0.00306651 27
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7925 73 C 14.124 25.4176 11.5812 0.00254251 -0.00222082 0.00619173 27
7926 74 C 14.9035 25.83 10.3325 0.000272795 0.00183246 0.00219442 27
7927 75 C 14.2997 25.2075 9.02276 0.000779363 0.00193972 -0.00348895 27
7928 76 C 14.8274 25.825 7.69244 0.00125826 0.00314167 -1.11678e-05 27
7929 77 C 14.0382 25.2981 6.49177 -0.00129983 0.00383618 -0.00114301 27
7930 78 C 14.5538 25.7962 5.10753 0.000517925 -0.0017253 0.00369461 27
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7935 83 C 11.5275 32.2905 13.1646 -0.000989208 0.000631335 0.00367835 27
7936 84 C 10.5093 32.3805 12.0479 -0.00436321 0.000772075 -0.000911329 27
7937 85 C 11.1035 32.6423 10.6324 0.00224975 -0.00282284 -0.00015833 27
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7939 87 C 10.4797 33.0212 8.18906 0.00230797 0.00146297 -0.00388997 27
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7941 89 C 11.2883 31.886 6.07258 6.79974e-05 0.00255035 -0.00393864 27
7942 90 C 10.1713 32.3751 5.18125 -0.00234696 0.00277533 -0.000700295 27
7943 91 C 10.3573 32.1288 3.68775 9.46385e-05 -0.0031636 -0.00312551 27
7944 92 C 11.5702 32.8338 3.04336 -0.00265247 0.000985552 0.00104758 27
7945 93 C 11.6898 32.4121 1.5816 0.00128013 -0.000320725 0.00164035 27
7946 94 C 3.51332 31.0245 33.5039 0.000224355 -0.00101754 0.00147827 27
7947 95 C 3.43638 30.875 35.067 0.00137409 -0.00147542 0.00354385 27
7948 96 C 2.03603 31.2466 35.5531 -0.00387323 0.00491429 0.00783935 27
7949 97 C 1.69487 30.6955 36.9418 0.00318431 0.0018891 -0.00319806 27
7950 98 C 2.56946 31.2122 38.1022 0.000170013 0.00331039 -0.00222301 27
7951 99 C 2.05506 30.602 39.4727 -0.00209245 -0.00321118 -0.00541198 27
7952 100 C 2.87693 30.9068 40.7496 0.0031954 -0.00093005 0.00232574 27
7953 101 C 2.06833 30.5873 41.9977 -0.00141217 -0.00217796 -0.00300113 27
7954 102 C 2.77667 30.7893 43.329 0.00306264 0.000677872 0.00249037 27
7955 103 C 1.68586 30.6069 44.4326 0.000642711 0.00372669 0.00073962 27
7956 104 C 2.2144 30.7263 45.8483 0.00289009 -0.000491962 0.00622679 27
7957 105 C 1.09764 30.4522 46.9203 -0.000582707 -0.00180968 0.0017423 27
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7959 107 C 9.28909 34.3794 35.3774 3.27201e-05 -0.0015024 -0.00138781 27
7960 108 C 10.3905 35.2742 35.9734 -0.00377703 -0.00187738 0.00177502 27
7961 109 C 10.1392 35.7133 37.4357 0.000563804 0.00161495 -0.00462882 27
7962 110 C 10.3215 34.488 38.3496 -0.00236279 -0.00394543 -0.00077083 27
7963 111 C 10.4523 34.6703 39.8965 0.000635486 -0.00347178 0.00175562 27
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7965 113 C 9.79964 36.1114 41.9342 -0.000465012 -0.00358616 0.00173467 27
7966 114 C 9.30497 35.0755 42.9087 0.00320258 -0.00307548 0.00188441 27
7967 115 C 9.49136 35.4833 44.3832 5.76694e-05 -0.00317467 0.00128703 27
7968 116 C 10.9213 35.4498 44.8736 -0.000182454 -0.00100127 0.00496649 27
7969 117 C 11.0533 35.7809 46.3917 -0.000611708 0.00354748 0.00110297 27
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7971 119 C 9.11184 26.979 36.1872 0.00340993 0.000129203 -9.50358e-07 27
7972 120 C 9.6433 25.7811 37.0429 0.00237565 -0.00304472 0.00307515 27
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7978 126 C 9.79897 25.5896 44.2756 -0.000872414 -0.00187079 -0.002064 27
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7981 129 C 10.1713 24.3125 47.328 -0.00315828 0.000918812 0.00183546 27
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8217 63 C 18.4889 37.7611 7.9485 0.000420611 -0.00084078 0.00151889 28
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8222 68 C 18.1285 37.2626 1.43077 -0.00184478 -0.00167935 -0.00318631 28
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8225 71 C 15.3729 35.4198 12.8328 0.00027735 -6.68226e-05 0.00413037 28
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8228 74 C 14.8819 34.5046 9.03234 0.00178767 0.00404679 0.00436161 28
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8231 77 C 14.9606 35.5742 5.34549 -0.00150722 -0.00276983 -0.004713 28
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8235 81 C 14.3655 36.8707 0.517343 -0.00104666 -0.00314991 -0.00570284 28
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8238 84 C 18.1575 40.4189 12.3203 0.00427146 0.000898207 0.00247645 28
8239 85 C 18.2489 41.8634 11.7814 0.00537673 -0.00162547 0.000987077 28
8240 86 C 19.1289 42.0524 10.4956 0.000610467 -0.00129533 0.000107791 28
8241 87 C 18.4416 41.5077 9.21916 0.00162197 0.00253833 -0.00422235 28
8242 88 C 19.1686 41.9252 7.86252 -0.00170118 0.000303395 0.000791649 28
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8245 91 C 18.133 41.6512 4.06398 0.000120258 0.00269773 -0.000574807 28
8246 92 C 18.6229 42.2355 2.73847 0.000498314 -0.00286207 0.00398631 28
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8249 95 C 7.61884 37.698 34.936 0.00244345 -0.00153886 0.00417196 28
8250 96 C 6.41472 37.3027 35.7916 -0.000742697 -0.00260668 0.00487913 28
8251 97 C 6.37693 38.0218 37.168 0.0015423 -0.000675609 0.000305912 28
8252 98 C 6.10729 37.1354 38.3966 0.00543694 0.0032538 0.000696484 28
8253 99 C 6.20293 37.925 39.7654 0.000151468 0.00450588 -0.00398625 28
8254 100 C 5.93254 37.0174 40.9688 -0.000911966 -0.00498605 -0.00094866 28
8255 101 C 6.09486 37.746 42.3206 -0.000459107 -0.00137305 0.00251143 28
8256 102 C 5.72414 36.8226 43.517 -0.00323755 -0.000725438 0.00103218 28
8257 103 C 6.08382 37.3211 44.9324 0.0017074 -0.000284576 0.00234511 28
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8259 105 C 6.77045 36.4873 47.2472 0.00049666 -0.00107297 0.00373653 28
8260 106 C 13.9473 40.0053 34.4613 0.000759109 -0.00527376 -0.00643915 28
8261 107 C 13.5071 41.2008 35.2272 2.23366e-05 0.00262341 0.000399215 28
8262 108 C 14.2766 41.2976 36.5816 -0.000984729 -0.00317561 0.00284304 28
8263 109 C 13.9087 42.524 37.4228 0.00222408 -0.00649924 -0.00191653 28
8264 110 C 14.5841 42.4816 38.8134 0.00210809 -0.0009882 0.000845143 28
8265 111 C 14.112 41.3414 39.734 -0.00265168 0.00211266 -0.000284785 28
8266 112 C 13.3889 41.7577 40.9907 0.00127921 -0.000601466 0.00299396 28
8267 113 C 14.2822 42.2077 42.1651 -0.000197366 0.00230798 0.00221128 28
8268 114 C 13.4789 42.2497 43.514 0.000199428 -0.003162 0.00311302 28
8269 115 C 14.4572 42.525 44.6723 0.00226338 -0.000445081 0.00216908 28
8270 116 C 13.7999 42.4207 46.0514 -0.00166985 1.50807e-05 0.00130318 28
8271 117 C 14.8197 42.6115 47.182 1.23054e-05 0.000767568 0.000554526 28
8272 118 C 12.5132 33.1874 33.7375 -0.00148747 0.00195179 -0.00258711 28
8273 119 C 13.7579 32.8869 34.5836 -0.000416091 -0.00290832 -0.000512868 28
8274 120 C 13.4997 32.8499 36.1259 -0.000312885 -0.00139347 -0.000107323 28
8275 121 C 14.4375 31.8929 36.8896 0.00131759 -0.000439188 -0.00226997 28
8276 122 C 14.1088 31.7118 38.3778 0.000299912 -0.00130923 -0.00540853 28
8277 123 C 14.2237 32.9747 39.2305 0.000734171 0.00128218 -0.00032638 28
8278 124 C 13.9781 32.5653 40.7342 -0.00231462 0.00150638 0.00132953 28
8279 125 C 14.1023 33.7567 41.7695 -0.00115651 0.000874942 0.000225373 28
8280 126 C 14.2028 33.2314 43.2084 -0.000435295 -0.00774487 -0.000461535 28
8281 127 C 14.3645 34.3919 44.2267 0.00287441 0.00555868 0.000775338 28
8282 128 C 14.7402 33.9185 45.6122 0.000617626 0.00114394 -0.0035592 28
8283 129 C 13.6924 33.0646 46.3276 0.00237271 -0.00306799 0.00131028 28
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8299 145 H 21.5924 37.9061 19.9572 -0.0108115 0.0113162 0.0120318 28
8300 146 H 21.8522 37.8127 17.4227 -0.00409913 -0.00239664 -0.00114874 28
8301 147 H 19.3909 37.7957 20.9531 0.00987771 -0.0134132 -0.00199452 28
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8305 151 H 15.5275 39.8016 20.5818 -0.0076998 -0.0112154 -0.00564675 28
8306 152 H 11.4836 37.0665 32.9926 0.012031 0.00231965 0.00287379 28
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8309 155 H 18.7147 35.5281 14.4256 -0.00894896 0.000306602 -0.0165265 28
8310 156 H 20.1641 35.0421 13.6539 -0.0125793 -0.00424202 -0.0115549 28
8311 157 H 20.2853 37.3239 12.5604 0.00652772 -0.00662469 -0.0113266 28
8312 158 H 18.572 37.5675 13.2072 0.0112438 0.00564897 0.00192923 28
8313 159 H 18.0777 35.492 11.6315 -0.00266085 0.00571706 0.00647422 28
8314 160 H 19.7907 35.5715 11.204 0.00281058 5.17916e-05 0.0054049 28
8315 161 H 19.3061 38.0664 10.467 0.00461971 -0.00471286 -0.00488908 28
8316 162 H 17.6221 37.5968 10.6224 0.00152096 0.0140015 -0.00423493 28
8317 163 H 17.9876 35.8941 8.89427 -0.0125146 0.0187081 -0.00691513 28
8318 164 H 19.7231 36.2316 8.84237 0.000799867 0.000722961 -0.0038417 28
8319 165 H 19.2319 38.5678 7.97055 -0.00668185 0.00547203 0.00890948 28
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8321 167 H 17.9171 36.2332 6.52655 0.00775256 -0.00272647 -0.00938103 28
8322 168 H 19.6545 36.7712 6.40749 0.000891794 -0.00287488 0.00267517 28
8323 169 H 18.8598 38.8246 5.33437 -0.00997795 0.00737329 -0.000690215 28
8324 170 H 17.1927 38.2308 5.39463 -0.00621674 -0.0131935 0.00335907 28
8325 171 H 17.7671 36.2442 3.94855 -0.0107395 0.00493954 -0.000976425 28
8326 172 H 19.4548 36.7998 3.88152 0.00406748 0.00537877 -0.00121802 28
8327 173 H 18.7408 38.8951 2.72053 -0.000584154 0.00208561 -0.00704081 28
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8329 175 H 17.3987 36.4438 1.4509 -0.00403622 0.000271437 -0.00304284 28
8330 176 H 19.1523 36.9224 1.23212 0.00177664 0.00489897 0.00415065 28
8331 177 H 17.8939 37.9294 0.591902 -0.00115874 -0.00552662 -0.00643967 28
8332 178 H 16.2641 34.0013 14.1817 0.00696967 0.00648655 0.0202946 28
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8334 180 H 14.5452 36.1383 12.8793 -0.000851568 -0.00109909 -7.86116e-05 28
8335 181 H 16.2779 36.0306 12.7262 -0.00675196 0.00917054 -0.00266633 28
8336 182 H 16.1623 33.9208 11.539 -0.00712987 -0.0112338 -0.0111166 28
8337 183 H 14.4057 33.8234 11.734 0.0149496 -0.0163788 0.000587175 28
8338 184 H 14.1886 35.9781 10.5317 0.00433029 -0.00495336 0.027922 28
8339 185 H 15.8572 36.103 10.2185 -0.00412198 0.00168927 0.00268725 28
8340 186 H 15.6966 33.7803 8.90938 -0.00218158 -0.000518089 0.00487316 28
8341 187 H 13.9582 33.9158 9.09155 -0.00136673 0.00769887 -0.0086247 28
8342 188 H 14.0451 36.2496 7.91929 -0.00526037 -0.00422278 0.00464782 28
8343 189 H 15.7809 36.0361 7.84601 0.0112235 -0.0139748 -0.00746803 28
8344 190 H 15.3876 33.8284 6.40485 0.000433105 -0.000351785 0.0172383 28
8345 191 H 13.6573 34.2565 6.44942 0.00502748 -0.016612 -0.0085121 28
8346 192 H 14.2631 36.4206 5.36724 -0.00231737 -0.00395773 0.0138095 28
8347 193 H 15.9379 36.0625 5.44424 -0.00132945 -0.00574423 0.00809123 28
8348 194 H 15.7495 34.437 3.66955 0.000100395 0.00978343 -0.00452259 28
8349 195 H 13.9633 34.3903 3.85154 -0.00734658 0.00595751 -0.00769968 28
8350 196 H 13.9532 36.8427 3.16093 0.0127984 0.0072379 0.0101634 28
8351 197 H 15.6797 36.6365 2.89852 0.00447782 -0.00748998 -0.00895716 28
8352 198 H 15.2117 34.9045 1.16235 -0.0101024 -0.00712399 -0.00332572 28
8353 199 H 13.462 35.1029 1.39186 0.00274626 -0.00824088 0.00208369 28
8354 200 H 14.3788 36.6211 -0.550804 0.00825898 0.00315033 -0.00708001 28
8355 201 H 13.5183 37.5244 0.758829 -0.00201802 -0.0085504 0.00552255 28
8356 202 H 15.2355 37.5211 0.670739 -0.00201343 -0.00546393 0.00959443 28
8357 203 H 17.7224 41.0242 14.9529 0.00362469 -0.00461552 0.00640751 28
8358 204 H 17.9178 39.2351 14.8415 -0.00435119 -0.0030353 0.00235895 28
8359 205 H 16.5066 39.1532 12.8852 0.00932241 -0.00327256 0.000549939 28
8360 206 H 16.2039 40.9589 12.9722 -0.00126984 -0.000225933 0.00151544 28
8361 207 H 19.0812 40.1872 12.8648 0.00382321 0.00374848 0.00445351 28
8362 208 H 18.1357 39.7606 11.4431 0.00544989 -0.00713131 0.00848531 28
8363 209 H 17.2565 42.2574 11.5294 0.00429643 -0.00933028 -0.00681024 28
8364 210 H 18.671 42.5225 12.55 0.00428397 -0.004154 0.00374814 28
8365 211 H 19.2374 43.136 10.3636 0.0025023 -0.00182189 -0.00264676 28
8366 212 H 20.1448 41.6613 10.6313 6.35502e-05 0.000633204 0.00980859 28
8367 213 H 18.4024 40.4123 9.26284 0.016629 0.00150922 -0.0160736 28
8368 214 H 17.4179 41.9022 9.22083 -0.00104288 -0.00443208 0.00885765 28
8369 215 H 19.4381 42.9882 7.83454 -0.000675562 3.81301e-05 0.000530466 28
8370 216 H 20.1388 41.4173 7.79835 -0.00488023 -0.00512929 -0.00424274 28
8371 217 H 18.3609 40.4678 6.5745 0.00427921 -0.00141774 -0.0095704 28
8372 218 H 17.3091 41.8096 6.72875 0.00266955 -0.00627225 0.00471036 28
8373 219 H 18.8418 43.2853 5.23254 0.0162087 -0.00138254 -0.0108383 28
8374 220 H 19.964 41.9532 5.23333 -0.00189644 -0.00810814 -0.00275608 28
8375 221 H 18.2088 40.5577 4.10765 -0.00560184 0.00271652 0.010514 28
8376 222 H 17.0549 41.8345 4.15135 0.000229811 0.000821165 0.0046741 28
8377 223 H 18.6603 43.3228 2.87867 0.0183794 -0.00158625 -0.0107622 28
8378 224 H 19.6376 41.8856 2.51194 0.00106678 -0.00343111 0.00743211 28
8379 225 H 18.0322 42.6551 0.671447 0.0133418 0.00705071 0.00803627 28
8380 226 H 17.9459 40.9025 1.12391 -0.00356264 0.00234194 -0.00607964 28
8381 227 H 16.6906 42.1216 1.57397 -0.0037189 0.00472712 0.0013049 28
8382 228 H 6.90271 38.0775 32.9853 -0.013439 -0.0112212 -0.00561272 28
8383 229 H 7.05974 36.3031 33.3636 0.000614122 -0.00177402 0.0131431 28
8384 230 H 8.4785 37.1875 35.3874 0.00466957 -0.00261977 -0.0013013 28
8385 231 H 7.80471 38.7667 35.0996 -0.00275435 -0.000962789 0.00634938 28
8386 232 H 5.45634 37.4617 35.282 -0.00210219 0.00032971 0.00834622 28
8387 233 H 6.49762 36.2214 35.9566 0.00387567 -0.00425147 -0.00822033 28
8388 234 H 7.34956 38.5116 37.3003 -9.0757e-05 -0.00145292 0.015074 28
8389 235 H 5.66853 38.8593 37.1587 -0.00218746 -0.00401149 -0.0141032 28
8390 236 H 5.12442 36.6744 38.2389 0.00146093 0.0119758 -3.03693e-05 28
8391 237 H 6.87884 36.3584 38.463 0.00110594 -0.00197347 -0.0105797 28
8392 238 H 7.18822 38.4036 39.825 0.0037374 -0.0034822 0.000585609 28
8393 239 H 5.48435 38.7533 39.7969 -0.0137134 -0.0077201 0.00106502 28
8394 240 H 4.90636 36.6433 40.8669 -0.00145679 -0.00431059 0.00207307 28
8395 241 H 6.61325 36.1572 40.956 -0.00230598 -0.006112 0.000649426 28
8396 242 H 7.13327 38.0688 42.4651 0.000447581 -0.00709577 0.00884582 28
8397 243 H 5.46294 38.6427 42.3288 0.00693544 0.00386381 -0.000353643 28
8398 244 H 4.64402 36.6312 43.5066 -0.000419535 -0.0162169 -0.00646399 28
8399 245 H 6.20282 35.8522 43.3362 0.00345611 0.00378537 -0.00547799 28
8400 246 H 7.12137 37.6772 44.9427 0.00570859 -0.0119101 0.000961642 28
8401 247 H 5.44791 38.1837 45.1669 -0.00769169 -0.0103929 0.0140273 28
8402 248 H 4.84808 36.1067 46.2691 -0.000831497 -0.00892044 -0.00785733 28
8403 249 H 6.10908 35.2415 45.5523 -0.00263596 0.00118232 0.000311118 28
8404 250 H 6.6247 37.5173 47.5954 0.00301383 -0.00111052 0.00489803 28
8405 251 H 6.49432 35.8069 48.0622 -0.00513648 -0.00877353 -0.00459935 28
8406 252 H 7.82656 36.3652 46.9767 0.00303029 0.0102565 0.00849734 28
8407 253 H 14.2802 39.2784 35.2124 -0.0198386 -0.0113004 -0.00315116 28
8408 254 H 14.8201 40.2477 33.8425 0.00723228 -0.00863677 0.00137892 28
8409 255 H 13.6543 42.1155 34.6398 0.00940403 0.00398166 0.00487593 28
8410 256 H 12.4271 41.1473 35.4119 0.000611743 0.00599728 0.00482889 28
8411 257 H 14.078 40.3607 37.1165 -0.0011424 -0.0065741 -0.00315339 28
8412 258 H 15.3537 41.439 36.4293 -0.00260282 0.0111419 0.00443998 28
8413 259 H 14.2328 43.4059 36.8566 0.0076421 -0.0113094 -0.00632234 28
8414 260 H 12.8384 42.5846 37.6557 0.00194891 0.00489639 -0.0062037 28
8415 261 H 15.6702 42.3469 38.7384 0.00343525 0.00796113 0.00421699 28
8416 262 H 14.3182 43.4223 39.3112 -0.00897611 0.00299471 -0.0125267 28
8417 263 H 13.4335 40.6936 39.1653 0.00714869 0.00104316 -0.0107719 28
8418 264 H 14.9797 40.7386 40.029 0.001189 0.00856045 0.00159935 28
8419 265 H 12.6465 42.5105 40.698 -0.00155001 -0.00390198 0.00165964 28
8420 266 H 12.8185 40.8807 41.3208 -0.000304784 0.00286015 0.0094487 28
8421 267 H 15.0829 41.4877 42.3752 -0.00604062 -0.00729453 -0.00854948 28
8422 268 H 14.7174 43.1822 41.9115 0.00418572 -0.00194881 -0.0066376 28
8423 269 H 12.6798 42.9877 43.3713 -0.00614108 -0.00924743 0.0071382 28
8424 270 H 12.9456 41.3159 43.7307 -0.00653346 -0.00135733 -0.00567954 28
8425 271 H 15.2846 41.8047 44.6826 0.00780316 0.00590138 0.00170735 28
8426 272 H 14.9214 43.5009 44.4842 0.0215722 -0.0112608 -0.00640715 28
8427 273 H 12.942 43.0961 46.1583 0.00639926 0.0116066 -0.0072791 28
8428 274 H 13.4133 41.407 46.2137 0.00771986 -0.00513551 -0.00854459 28
8429 275 H 15.129 43.6508 47.3483 0.000370032 -0.000242102 0.00626773 28
8430 276 H 14.3678 42.2925 48.1293 -0.00292715 -0.00667573 -0.00335977 28
8431 277 H 15.6976 41.9733 47.0223 0.0008787 0.000348443 0.00698113 28
8432 278 H 11.6117 33.0874 34.3545 0.00141245 -0.000429634 0.00126061 28
8433 279 H 12.3545 32.4376 32.9526 -0.00237358 -0.00344304 0.00272054 28
8434 280 H 14.4412 33.7282 34.4142 0.00473478 -0.00727241 -0.00131122 28
8435 281 H 14.2149 31.9378 34.2773 0.0141793 0.00148444 0.0076329 28
8436 282 H 12.4309 32.674 36.2997 -0.000773717 -0.00366578 -0.0052291 28
8437 283 H 13.6136 33.8621 36.5333 -0.00517648 -0.000631062 -0.000628003 28
8438 284 H 15.4366 32.345 36.862 0.000217316 0.00238309 0.00381796 28
8439 285 H 14.512 30.9014 36.4261 0.00262366 -0.00807216 0.0142053 28
8440 286 H 14.8025 30.9595 38.7731 -0.00255079 -0.00751279 -0.0121987 28
8441 287 H 13.0913 31.3088 38.4532 -0.00263627 0.00791128 0.00425335 28
8442 288 H 13.4415 33.6497 38.8617 -0.00493684 -0.00500035 0.000157771 28
8443 289 H 15.2149 33.4313 39.1192 -0.00213145 0.00428078 -0.0134515 28
8444 290 H 14.6248 31.7324 41.0368 -0.00463239 -0.000989831 -0.000573098 28
8445 291 H 12.9819 32.1062 40.7483 -0.0054369 0.00824253 -0.000274304 28
8446 292 H 13.2028 34.3834 41.7304 -0.000442451 0.00153071 -0.00547608 28
8447 293 H 15.0003 34.3555 41.5732 -0.00875411 0.013712 0.00466632 28
8448 294 H 15.0496 32.5344 43.23 -0.00499593 -0.0137785 -0.015054 28
8449 295 H 13.3022 32.6548 43.4533 0.000732354 -0.0050989 0.0100791 28
8450 296 H 13.4226 34.949 44.3035 -0.00109189 0.000118956 -0.00845297 28
8451 297 H 15.1508 35.0953 43.9258 -0.00238937 0.0180924 0.0162234 28
8452 298 H 15.0021 34.7512 46.2767 0.00470073 -0.00367279 0.000874886 28
8453 299 H 15.6229 33.2862 45.4559 -0.000122942 -0.00341561 0.0108018 28
8454 300 H 12.8404 33.6643 46.6711 -0.00692941 -0.0126582 -0.00504594 28
8455 301 H 14.1517 32.6811 47.247 0.000510546 0.000745697 0.00384058 28
8456 302 H 13.3347 32.2606 45.6727 -0.000897182 0.00120443 -0.00216513 28
8457 1 C 17.2805 33.7697 31.4775 -0.00504194 3.70205e-05 -0.00205288 29
8458 2 C 17.4521 33.6898 30.0827 0.000422453 -0.000605876 -0.000874721 29
8459 3 C 17.0009 32.5386 29.404 -0.00338025 -0.00132732 -0.00038921 29
8460 4 C 16.4617 31.4567 30.1073 -0.000594995 0.00389542 0.00315709 29
8461 5 C 16.2997 31.5188 31.5158 -0.00596731 0.00145021 0.00214991 29
8462 6 C 16.6697 32.6872 32.1961 0.000739124 -0.00112945 0.00233483 29
8463 7 C 11.8352 30.1414 30.8098 -0.00093264 -0.000695916 -0.00194153 29
8464 8 C 12.0311 30.1342 29.4464 0.000440451 -0.000443293 -0.00232823 29
8465 9 C 13.3511 30.1778 28.9795 0.00270198 0.000809745 0.00543873 29
8466 10 C 14.4428 30.2631 29.8735 0.00332741 -0.00285893 0.00156951 29
8467 11 C 14.2557 30.2557 31.2681 0.00295282 0.00220486 -0.00153593 29
8468 12 C 12.9254 30.1928 31.7251 -0.00345109 0.004959 -0.00448792 29
8469 13 C 17.5315 26.8637 31.6476 0.00370173 -0.00595956 -0.00187077 29
8470 14 C 17.6288 26.861 30.2498 0.000615468 -2.02618e-06 0.000219809 29
8471 15 C 17.1144 27.9301 29.4958 -0.00417119 -0.00271355 -0.00386803 29
8472 16 C 16.4927 29.0125 30.1505 -0.00886674 0.0022752 0.00311452 29
8473 17 C 15.873 30.2255 29.4581 0.00295152 -0.00247175 -0.000726881 29
8474 18 O 16.7099 27.8651 33.7029 -0.00317864 -0.00351844 0.00290005 29
8475 19 O 12.7022 30.1623 33.1028 -0.00154297 0.00092059 -0.00304729 29
8476 20 O 16.5907 32.7411 33.5835 0.00131551 0.000827943 0.00245731 29
8477 21 C 16.8807 27.91 32.31 0.000978906 0.000590521 1.65219e-05 29
8478 22 C 16.1398 30.2484 28.024 0.00107559 0.00490638 -0.000116398 29
8479 23 C 16.5596 30.3228 26.9067 -0.00233154 0.00597796 0.00483908 29
8480 24 C 17.2869 30.4962 25.6899 0.000303786 0.00150442 -0.00574595 29
8481 25 C 17.0132 31.5543 24.86 0.00458431 -0.00131891 0.00357412 29
8482 26 C 17.8612 31.771 23.7479 0.00120892 -0.000866498 -0.00170226 29
8483 27 C 18.9802 30.9064 23.5307 0.00118265 0.00352217 0.00068968 29
8484 28 C 19.2192 29.846 24.3981 -0.000716525 -0.00142433 -0.00114583 29
8485 29 C 18.3595 29.6072 25.4972 0.00201068 -6.5335e-05 0.00642958 29
8486 30 C 19.7971 31.0186 22.3731 0.00147581 -0.00378226 -0.0050944 29
8487 31 C 20.3523 31.0531 21.3 0.000219666 0.000544697 -0.001584 29
8488 32 C 19.0186 27.561 19.2136 0.0010613 -0.00050114 -0.00124206 29
8489 33 C 19.3716 27.4328 17.8543 0.00028865 0.00143379 0.00348949 29
8490 34 C 19.9954 28.4471 17.1555 0.00274702 -0.000904338 0.0015714 29
8491 35 C 20.3216 29.6386 17.82 2.92032e-05 0.000988281 0.00458574 29
8492 36 C 20.1377 29.7059 19.2136 -0.00435592 -0.00239779 -0.0033891 29
8493 37 C 19.4433 28.6895 19.9059 0.000270481 0.00180496 -0.000728054 29
8494 38 C 20.6894 30.9446 19.8556 -0.00127875 0.0053182 0.0013325 29
8495 39 C 24.5041 31.1288 19.7395 -0.000457088 0.00309552 0.00415402 29
8496 40 C 24.6875 31.1678 18.3426 -0.00157409 -0.000939927 0.00114419 29
8497 41 C 23.6199 31.0885 17.4436 -0.00307097 -0.00485235 -0.00398265 29
8498 42 C 22.3575 30.9745 17.9653 0.00207696 0.00179293 0.00192652 29
8499 43 C 22.1469 30.9625 19.3871 -0.000636451 -0.00459273 0.00398009 29
8500 44 C 23.2326 31.013 20.262 -0.000111038 0.000463115 0.00446229 29
8501 45 C 18.8883 34.233 18.7854 -0.00295706 0.000901355 -0.000715723 29
8502 46 C 19.1378 34.1999 17.4027 0.00234915 0.00370753 -0.000811067 29
8503 47 C 19.8771 33.1153 16.8575 0.00219673 -2.7067e-05 -0.000530054 29
8504 48 C 20.2761 32.0327 17.662 -0.00101652 0.00238371 0.00588821 29
8505 49 C 21.0796 30.8216 17.1801 0.000898239 0.0017199 -0.00100434 29
8506 50 C 20.0832 32.1409 19.0699 0.00100821 0.00181989 0.00069988 29
8507 51 C 19.3872 33.2352 19.6177 -0.00703822 0.00106915 0.00103127 29
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8510 54 O 20.0705 33.0397 15.5307 0.000893883 0.000128839 -0.00185337 29
8511 55 C 15.5737 30.2653 32.1092 -5.07307e-05 0.000262019 -0.000753619 29
8512 56 C 16.3523 29.0186 31.5672 0.000979917 0.00150847 0.000890274 29
8513 57 C 23.6642 30.1505 15.1834 0.00264896 -0.00393213 -0.00269235 29
8514 58 C 23.2151 30.8684 13.868 0.00257447 0.00150285 0.00450738 29
8515 59 C 22.653 29.9217 12.7829 -0.003546 0.00153213 0.00038556 29
8516 60 C 22.42 30.6972 11.4318 0.00498251 0.00600303 0.0017914 29
8517 61 C 21.9179 29.9246 10.2183 0.00287564 0.00113677 0.00299935 29
8518 62 C 21.8396 30.846 8.96573 -0.00143742 -0.00293044 0.00160332 29
8519 63 C 21.5395 30.2401 7.58256 0.00276115 0.000919448 0.00330316 29
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8521 65 C 22.7081 30.3102 5.27452 -0.00183161 0.000710839 -0.000291975 29
8522 66 C 21.5056 29.736 4.44907 -0.00350852 -4.13463e-05 0.00436687 29
8523 67 C 21.7759 30.0256 2.95533 -0.00135669 0.00128325 8.35054e-05 29
8524 68 C 20.6412 29.4603 2.12649 0.0026419 0.00386645 0.00250668 29
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8526 70 C 20.9618 26.9781 15.5424 -0.000658551 0.0042553 0.00211046 29
8527 71 C 21.5799 27.023 14.1352 0.00589045 0.00703761 0.00051098 29
8528 72 C 21.941 25.5685 13.6578 0.000237679 0.00112735 0.00207483 29
8529 73 C 22.53 25.4325 12.2303 -0.00218638 0.000816458 0.000995116 29
8530 74 C 21.8506 26.152 11.0655 0.000107341 0.00221619 -0.00153705 29
8531 75 C 22.3807 25.5788 9.74365 0.00112972 0.00245305 -0.00685026 29
8532 76 C 21.7743 26.203 8.49337 -0.00190677 0.00140574 -0.00189356 29
8533 77 C 22.1674 25.4465 7.19723 0.000478032 -0.00146659 0.000209353 29
8534 78 C 21.8945 26.2162 5.90983 0.000229414 0.00382588 0.00317106 29
8535 79 C 22.4934 25.5097 4.69793 0.000778248 -0.00018154 -0.00603023 29
8536 80 C 22.3291 26.2211 3.34257 -0.00121139 -0.00239312 0.000386769 29
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8539 83 C 19.4391 31.9358 13.4017 0.00293252 -0.00107457 -0.00256529 29
8540 84 C 18.9138 32.8184 12.2577 0.00494391 -0.0055688 0.00287145 29
8541 85 C 18.5965 32.1184 10.9166 0.00126886 0.00331802 -0.00334545 29
8542 86 C 18.4749 33.1142 9.73451 -0.00104862 0.000327744 0.00121012 29
8543 87 C 18.2669 32.5016 8.29946 -0.00312851 0.000293115 -0.00199507 29
8544 88 C 18.437 33.5517 7.1914 -0.000865437 -0.00130116 0.00216644 29
8545 89 C 18.8545 33.0611 5.7995 -0.00358284 0.00270359 0.00264131 29
8546 90 C 17.8153 32.2671 4.99467 -0.00109456 -0.000100189 0.00294257 29
8547 91 C 18.2835 32.2852 3.52996 0.00270467 -0.000316691 0.00421927 29
8548 92 C 17.4838 31.4538 2.49379 -0.00291432 0.00101961 -0.0038893 29
8549 93 C 16.2214 32.129 2.01469 0.00329936 -0.0021799 0.00359753 29
8550 94 C 11.3662 30.0833 33.5916 -9.09606e-05 -0.00220465 -0.00322169 29
8551 95 C 11.2223 30.0841 35.1428 -0.00103766 -0.00279276 0.00111728 29
8552 96 C 9.81046 30.5579 35.691 -0.00170075 0.00206343 -0.00108376 29
8553 97 C 9.79043 31.2052 37.1197 -0.0036091 0.00432997 0.00375929 29
8554 98 C 9.96089 30.2234 38.2706 0.000509701 -0.00142547 -0.00481366 29
8555 99 C 10.2409 31.0685 39.5509 0.00203679 -0.00185156 0.000387348 29
8556 100 C 10.4264 30.2813 40.8585 -0.0014528 0.00281474 -0.000749974 29
8557 101 C 10.5689 31.2078 42.1212 -0.00105088 -0.000961899 -0.00127642 29
8558 102 C 10.6461 30.4117 43.4546 -0.00260108 0.000548448 -0.00107826 29
8559 103 C 10.6073 31.3877 44.6343 0.00053124 -0.00416258 0.0012425 29
8560 104 C 10.6678 30.6914 46.0201 -0.00441239 -0.000110372 0.00077347 29
8561 105 C 10.2064 31.6539 47.1661 -0.00117097 0.00105788 -0.000280497 29
8562 106 C 17.1631 33.9355 34.2114 -0.000636692 -0.000129511 -0.00488129 29
8563 107 C 17.205 33.9972 35.7666 0.00168947 -0.0021185 0.00158943 29
8564 108 C 17.9945 35.1441 36.402 0.00280086 -0.00255474 -0.00439354 29
8565 109 C 17.6397 35.2766 37.899 0.00239616 0.00181987 0.000570968 29
8566 110 C 18.5911 36.1586 38.6839 -0.000220737 0.000523538 -0.00243511 29
8567 111 C 18.075 36.4529 40.1333 -0.00607582 -0.00238518 0.00253039 29
8568 112 C 18.0738 35.2065 41.0353 0.00190638 -0.000313934 -0.000353589 29
8569 113 C 18.0622 35.6777 42.5064 0.00194754 0.00288339 0.00162898 29
8570 114 C 18.0994 34.4444 43.4025 0.00433648 -0.00220596 -0.00329343 29
8571 115 C 18.2673 34.9038 44.8424 -0.00185888 0.00312308 0.00126378 29
8572 116 C 18.5367 33.7221 45.7768 0.000747862 -0.00413908 -0.00316376 29
8573 117 C 18.6728 34.1791 47.2112 0.00113343 0.00213203 -0.00263126 29
8574 118 C 17.1952 26.673 34.4252 -0.000140857 -0.000568856 0.00274672 29
8575 119 C 17.1553 26.8049 35.9784 0.000857155 -0.000633804 0.00106704 29
8576 120 C 17.854 25.624 36.7513 0.00330968 0.000286506 0.00132587 29
8577 121 C 17.7681 25.5926 38.3225 0.0017247 0.00337117 -0.00204727 29
8578 122 C 17.7286 26.9488 39.0619 0.00178316 5.44001e-05 0.0012657 29
8579 123 C 17.4417 26.864 40.5992 0.00105045 -0.00311154 -0.000808687 29
8580 124 C 18.4006 25.8732 41.3264 0.00122762 -0.00381739 0.00718323 29
8581 125 C 18.7188 26.2907 42.787 -0.000924365 -0.00150675 0.00156364 29
8582 126 C 17.6535 25.9652 43.8791 0.00145274 0.00358969 0.00337774 29
8583 127 C 18.2439 26.108 45.3187 -0.000574099 0.000797278 0.00633836 29
8584 128 C 17.3495 25.5589 46.4523 0.00335235 -0.00329655 0.00142928 29
8585 129 C 16.2394 26.4914 46.861 -0.00278807 0.00134231 -0.0025441 29
8586 130 F 15.9585 32.39 25.1102 0.00354356 0.000818286 0.00177821 29
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8589 133 H 17.0944 32.5529 28.3221 -0.00342424 -0.0012964 -0.000392622 29
8590 134 H 10.8049 30.1256 31.1529 -0.000354745 0.00747957 0.000189972 29
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8593 137 H 17.9102 25.9854 32.1619 0.00856381 0.00271384 0.00934211 29
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8600 144 H 19.2015 28.7657 20.9619 -0.00720184 -0.00264588 -0.00211484 29
8601 145 H 25.3643 31.2003 20.3986 0.00302971 0.00316487 -0.000398876 29
8602 146 H 25.686 31.3359 17.95 -0.00283642 -0.00931997 -0.0056156 29
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8610 154 H 22.9171 29.4119 15.4992 -0.000314966 -0.00496464 -0.0121006 29
8611 155 H 24.1132 31.3342 13.4441 0.0014841 0.003381 0.00426987 29
8612 156 H 22.4749 31.6289 14.1457 0.00877252 0.00805385 0.00304413 29
8613 157 H 21.7244 29.4378 13.1098 0.000751088 0.00673751 0.0202555 29
8614 158 H 23.3566 29.0879 12.6683 -0.00770612 -0.00282303 0.0064022 29
8615 159 H 23.3723 31.1461 11.1235 0.00351555 -0.00262284 -0.0153184 29
8616 160 H 21.7356 31.5358 11.6098 0.00721129 0.00444083 0.0177644 29
8617 161 H 20.9351 29.4957 10.4501 0.00267646 -0.00126497 -0.00229596 29
8618 162 H 22.6319 29.1348 9.95423 -0.000628339 0.000454209 -0.0044667 29
8619 163 H 22.6942 31.5307 8.89995 0.00138567 -0.00627038 0.00365876 29
8620 164 H 21.0038 31.505 9.23152 -0.00612591 -0.00920848 0.00243721 29
8621 165 H 20.93 30.9918 7.06592 -0.000476437 -0.00177158 0.00321029 29
8622 166 H 20.9572 29.3116 7.6281 0.00816393 -0.00195269 0.0136833 29
8623 167 H 23.1919 28.9432 6.88329 -0.0120341 -0.00320343 -0.00470258 29
8624 168 H 23.6133 30.6295 7.10025 0.0091072 -0.00903143 -0.00332085 29
8625 169 H 23.6475 30.0125 4.79239 -0.00485918 -0.00592111 -0.00210055 29
8626 170 H 22.6168 31.4004 5.19326 0.00215717 0.00127377 0.00284906 29
8627 171 H 20.581 30.2122 4.79814 -0.00916719 0.000537428 -0.0114644 29
8628 172 H 21.4073 28.6528 4.59206 0.000273235 -0.00251482 -0.0117164 29
8629 173 H 22.7419 29.5746 2.69646 -0.0144101 -0.021146 -0.00947613 29
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8631 175 H 19.6635 29.7892 2.49974 -0.00770127 -0.0106965 -0.0117327 29
8632 176 H 20.6721 28.3637 2.12522 0.0153775 0.00421663 -0.00315406 29
8633 177 H 20.7554 29.7647 1.07877 -0.00629089 -0.00444711 -0.000885264 29
8634 178 H 21.7169 26.6434 16.2643 -0.00799253 -0.0123335 0.00212039 29
8635 179 H 20.1672 26.2244 15.6053 -0.000136405 0.00460775 0.0132099 29
8636 180 H 20.8484 27.4821 13.4588 0.000593424 0.00176117 0.00266043 29
8637 181 H 22.4525 27.6875 14.1567 0.00907175 0.00253143 0.0101308 29
8638 182 H 22.6568 25.1824 14.3939 -0.000842256 0.0023638 0.00378018 29
8639 183 H 21.0464 24.9472 13.7884 0.00183348 0.000709361 0.0111185 29
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8648 192 H 23.233 25.1882 7.23086 0.000463732 -0.00324795 -0.0128728 29
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8650 194 H 20.819 26.2916 5.70739 0.000307125 -0.00551163 -0.000761446 29
8651 195 H 22.2967 27.2305 6.02312 0.00603686 -9.32679e-05 0.0177254 29
8652 196 H 23.5422 25.3686 4.9869 -0.00101447 0.00415338 0.00271127 29
8653 197 H 21.9935 24.5347 4.64459 0.00372372 -0.00314917 0.0201584 29
8654 198 H 21.2666 26.3335 3.09362 -0.00058511 -0.00893358 -0.00525578 29
8655 199 H 22.719 27.243 3.42701 0.00310928 -0.00232958 -0.0204721 29
8656 200 H 22.9423 26.2232 1.30712 -0.00030557 0.000262517 0.00104056 29
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8658 202 H 22.4239 24.592 1.91175 0.00623248 -0.0083337 0.0113588 29
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8660 204 H 18.0951 33.0117 14.7947 0.00759856 0.0122027 0.000157039 29
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8662 206 H 19.0216 30.9354 13.2335 0.00938642 -0.00282975 -0.00808131 29
8663 207 H 17.9576 33.2767 12.5389 0.00747017 0.00801163 -0.0106307 29
8664 208 H 19.6464 33.624 12.1247 0.00579204 -0.00636616 0.00271958 29
8665 209 H 19.3964 31.4009 10.6959 -0.00451545 -0.00115379 -0.00976362 29
8666 210 H 17.6535 31.5643 11.0006 -0.00283475 0.00991707 -0.00580868 29
8667 211 H 17.7464 33.8976 9.9772 0.00685622 0.00962751 -0.00503399 29
8668 212 H 19.4376 33.6401 9.72485 -0.00440074 0.0064987 0.00331406 29
8669 213 H 19.0081 31.7088 8.13954 -0.000186639 0.000586834 0.0101534 29
8670 214 H 17.2542 32.0827 8.24908 -0.0106196 0.0179361 0.00140365 29
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8675 219 H 17.7779 31.251 5.40654 0.0124762 0.000940687 0.00675154 29
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8677 221 H 18.3398 33.317 3.16187 0.000760388 0.00113916 0.00801272 29
8678 222 H 19.3075 31.8951 3.47762 -0.00572056 -0.0223371 0.00318216 29
8679 223 H 18.1322 31.2144 1.64191 -0.00579341 -0.00477137 -0.00445464 29
8680 224 H 17.2153 30.5219 3.00659 0.0119361 -0.00418063 -0.00555438 29
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8682 226 H 16.3785 33.1697 1.70507 -0.0108149 0.000592358 0.00566515 29
8683 227 H 15.7926 31.5586 1.18156 -0.00591998 -0.0075517 0.0120072 29
8684 228 H 10.7889 30.9091 33.1579 -0.00423287 0.0062134 0.0183706 29
8685 229 H 10.8996 29.1502 33.2523 -0.0105931 0.00368985 -0.00502758 29
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8688 232 H 9.44338 31.3616 35.0409 -0.0147497 -0.00137564 0.00205991 29
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8692 236 H 9.01823 29.6683 38.3521 -0.00593271 0.0124442 0.0149999 29
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8695 239 H 9.38135 31.745 39.6345 0.00522734 0.00180033 0.00361398 29
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8697 241 H 11.2871 29.6039 40.7981 -0.00443082 -0.000747881 -0.00333825 29
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8699 243 H 9.66206 31.8242 42.1529 -0.0017842 -0.00287939 0.0147758 29
8700 244 H 9.86383 29.6454 43.5192 0.00116753 -0.00433495 -0.0130452 29
8701 245 H 11.5482 29.7875 43.4625 -0.00145552 0.00207592 -0.0109315 29
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8703 247 H 9.6702 31.9565 44.5925 0.000601844 -0.00376902 0.00494579 29
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8705 249 H 11.7116 30.4505 46.2565 -0.00632395 -0.0095915 -0.00050694 29
8706 250 H 10.1735 31.1654 48.1478 0.0195798 0.0023674 0.00104554 29
8707 251 H 10.8886 32.5109 47.226 0.0106431 -0.00785752 -0.00687648 29
8708 252 H 9.17781 31.9671 46.9489 -0.000285056 -0.00426438 -0.0122321 29
8709 253 H 18.1869 34.1577 33.8859 -0.000926044 -0.000650995 -0.00613695 29
8710 254 H 16.5844 34.7978 33.858 0.00398027 0.00617416 0.00291787 29
8711 255 H 16.164 34.0048 36.1126 0.00655285 0.00255771 0.0160497 29
8712 256 H 17.7131 33.0777 36.0823 -0.0019581 0.000454834 0.0148379 29
8713 257 H 19.0743 35.0371 36.241 0.00407171 -0.000418733 0.00274445 29
8714 258 H 17.766 36.0776 35.8731 -0.011403 0.00469208 0.0145516 29
8715 259 H 16.6481 35.7446 37.9309 0.00483868 0.00765701 -0.00864553 29
8716 260 H 17.5684 34.2736 38.3377 -0.00596908 0.00120173 -0.00218652 29
8717 261 H 19.5682 35.668 38.7736 0.00239952 0.00702313 0.00466284 29
8718 262 H 18.7164 37.0975 38.1307 0.00355919 -0.00375121 -0.00883 29
8719 263 H 18.6856 37.2062 40.6462 0.00135107 0.000177283 -0.0101233 29
8720 264 H 17.0716 36.8964 40.135 -0.00644383 -0.00318105 -0.0208419 29
8721 265 H 17.2436 34.53 40.7977 0.00222108 -0.00647471 0.0160941 29
8722 266 H 18.9918 34.6312 40.8628 -0.00300714 -0.00659424 -0.00555887 29
8723 267 H 18.9273 36.3258 42.6937 0.0194252 -0.0173793 -0.0092011 29
8724 268 H 17.22 36.3438 42.7309 0.00267044 0.00309319 0.0037257 29
8725 269 H 17.1593 33.8817 43.3467 0.00649434 -0.00728184 0.0111545 29
8726 270 H 18.8848 33.7383 43.106 0.00323794 -0.00438015 -0.00103973 29
8727 271 H 19.0938 35.6169 44.9512 -0.00075644 0.00188527 0.000994615 29
8728 272 H 17.3657 35.4408 45.1619 -0.00945768 -0.00519558 -0.00621928 29
8729 273 H 17.6727 33.0478 45.7288 -0.00379132 0.00188649 -0.00633121 29
8730 274 H 19.435 33.2034 45.4198 0.00547831 0.00812887 -0.00912485 29
8731 275 H 18.6837 33.3366 47.9137 0.0043415 0.00580729 0.0017238 29
8732 276 H 19.56 34.8151 47.3202 0.0105339 -0.0112059 -0.00133489 29
8733 277 H 17.7582 34.737 47.4471 -0.00180106 0.00478986 -0.0202248 29
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8853 95 C 15.1679 36.8938 35.1317 0.000266065 0.000463625 0.00208985 30
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8857 99 C 14.0035 36.8895 39.5463 0.00114958 0.00138515 0.000224269 30
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8879 121 C 22.0328 33.0549 38.3036 0.00319645 0.000459599 -0.00428012 30
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8883 125 C 22.2509 33.3383 42.9488 0.000888828 -0.000201537 -0.000575385 30
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8885 127 C 22.2708 31.9767 45.1189 0.000821433 -0.00380107 0.00182993 30
8886 128 C 22.5357 33.0209 46.1756 0.000484784 0.000258588 -0.000205771 30
8887 129 C 21.9193 32.6016 47.4861 -0.00500922 -0.00178583 0.00304721 30
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9025 267 H 22.8127 42.4197 42.9237 -0.000726977 0.00838603 0.00886559 30
9026 268 H 21.0816 42.5631 43.0901 0.00375409 0.00190404 -5.59195e-06 30
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9033 275 H 22.8888 42.1325 48.2125 -0.00458766 0.0182598 0.00276949 30
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9038 280 H 22.0147 34.5298 35.8822 -0.00585394 0.00194258 0.0209567 30
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9043 285 H 22.9859 32.561 38.0774 0.00857076 0.00940295 -0.00113028 30
9044 286 H 20.8803 31.4798 39.2076 0.00786927 -0.000780395 -0.00761668 30
9045 287 H 20.5885 33.0681 39.9538 -0.0060762 -0.00122061 -0.0105948 30
9046 288 H 23.1229 31.4968 40.3888 -0.00293423 -0.00740055 0.0120618 30
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9056 298 H 22.1334 33.9767 45.8179 -0.00150824 -0.00498695 -0.0119938 30
9057 299 H 23.6119 33.1417 46.351 -0.00128755 0.00785431 0.00548143 30
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9062 2 C 25.7728 33.4957 29.882 -0.000504665 -0.00287614 -0.00373873 31
9063 3 C 25.0461 32.5149 29.1682 -0.0100902 0.00060262 -0.0031542 31
9064 4 C 24.286 31.5394 29.8397 -0.00387336 0.00373448 0.00312167 31
9065 5 C 24.1219 31.5879 31.2368 -0.00107499 0.00072058 -0.00372329 31
9066 6 C 24.6998 32.6446 31.9418 0.00303585 -0.00113323 0.00172196 31
9067 7 C 19.5681 30.3764 30.6308 -0.00231247 2.35228e-06 0.000592922 31
9068 8 C 19.7675 30.3506 29.2506 -0.000373934 -0.00197781 0.00148745 31
9069 9 C 21.0629 30.3166 28.7608 -0.00204677 -0.00381792 0.00170565 31
9070 10 C 22.1452 30.3871 29.6224 0.000115616 -0.00352491 -0.000584794 31
9071 11 C 21.9581 30.4369 31.036 -0.00137472 -0.00318439 0.00560622 31
9072 12 C 20.6666 30.3706 31.5288 0.00188403 -0.00232005 -0.00495347 31
9073 13 C 25.2856 27.1117 31.5107 0.00110908 -0.000535642 -0.000464338 31
9074 14 C 25.4457 27.0501 30.1013 0.00226277 0.00222915 -0.00399672 31
9075 15 C 24.9036 28.0303 29.2681 0.00227251 -0.000273284 0.00107718 31
9076 16 C 24.2278 29.1097 29.9063 -0.00136536 0.00155966 0.00308751 31
9077 17 C 23.6145 30.3131 29.1805 0.00193069 -0.00075254 -0.00146564 31
9078 18 O 24.3358 28.1741 33.4786 -0.00526413 0.00100337 0.00382326 31
9079 19 O 20.3547 30.3882 32.8946 -0.000196614 -0.00159046 0.00185812 31
9080 20 O 24.4613 32.7878 33.2847 0.00222532 0.00109812 -0.00265978 31
9081 21 C 24.5115 28.1226 32.1217 -0.00222581 0.00287383 0.00254685 31
9082 22 C 23.9109 30.2988 27.7248 -0.00239312 0.00238662 0.00118053 31
9083 23 C 24.3637 30.3566 26.6062 -0.000163647 -0.00261026 0.00417924 31
9084 24 C 24.9953 30.4248 25.3296 -0.00338321 0.00119013 0.00274951 31
9085 25 C 25.1897 31.6865 24.7108 -0.0032281 0.000826601 -0.000678867 31
9086 26 C 26.1035 31.8131 23.6282 0.000250382 -0.0005633 -0.00234006 31
9087 27 C 26.7997 30.6886 23.1745 -0.00561903 -0.00142805 0.00645958 31
9088 28 C 26.6487 29.4196 23.8069 -0.0021728 -0.00287146 0.000860508 31
9089 29 C 25.7233 29.3292 24.9069 -0.0052868 0.00272359 0.00366933 31
9090 30 C 27.6829 30.8029 22.0535 0.000763077 -0.0040245 -0.00235089 31
9091 31 C 28.2669 30.8564 20.9914 -0.000348512 0.00160081 -0.00152072 31
9092 32 C 27.3201 27.2636 19.0007 -0.00293693 0.0017314 0.00123003 31
9093 33 C 27.7122 27.1121 17.6465 0.00105683 -0.000823576 -0.00363864 31
9094 34 C 28.1355 28.2342 16.8885 0.00183825 0.0013102 0.00109305 31
9095 35 C 28.1942 29.4846 17.526 -0.00238425 0.00261269 -0.00121068 31
9096 36 C 28.0075 29.5698 18.9108 0.00024488 0.000895906 -0.00388531 31
9097 37 C 27.4939 28.4724 19.6396 0.00283506 -0.00180475 0.000757036 31
9098 38 C 28.5902 30.8197 19.5585 -0.00138234 -0.000352877 0.00188931 31
9099 39 C 32.438 30.8864 19.3506 0.0038429 0.000685833 0.00361285 31
9100 40 C 32.5477 30.9587 17.9487 -0.00196728 0.000565484 0.000481694 31
9101 41 C 31.4138 30.9949 17.1064 8.49653e-05 0.00103268 -0.00183852 31
9102 42 C 30.1699 30.7873 17.704 -0.00245625 0.00442119 -0.00436461 31
9103 43 C 30.0517 30.8303 19.0941 -0.00167204 0.000237687 0.000344119 31
9104 44 C 31.1512 30.9197 19.9587 0.00127411 -0.00311297 -0.00337523 31
9105 45 C 26.703 34.0873 18.6313 0.00174124 0.00169689 0.00275529 31
9106 46 C 26.7894 33.9843 17.2184 -0.00144309 -0.00159698 0.000970453 31
9107 47 C 27.5349 32.9644 16.636 0.00207843 0.00274359 0.00232724 31
9108 48 C 28.1047 31.9596 17.4376 -0.00204383 0.00218029 0.00190737 31
9109 49 C 28.8556 30.7499 16.9379 0.00255231 0.000111417 0.00301988 31
9110 50 C 27.9421 31.9969 18.8284 -0.00168247 -0.00250532 0.00115835 31
9111 51 C 27.2848 33.1221 19.4421 -0.00102849 -0.000349298 -0.00156044 31
9112 52 O 31.5781 31.3765 15.8017 0.00131809 0.000159759 -4.27149e-05 31
9113 53 O 28.5978 28.0911 15.5886 0.000522476 -0.00252778 0.0013699 31
9114 54 O 27.6506 32.8309 15.3004 0.000427778 0.0012344 -0.00428359 31
9115 55 C 23.291 30.4336 31.8091 -0.00220169 -0.00240151 -0.000690442 31
9116 56 C 24.0048 29.1503 31.3025 0.00186754 -0.000964102 -0.00205893 31
9117 57 C 31.325 30.5775 14.6747 -0.00255832 0.00152486 0.00280154 31
9118 58 C 30.6737 31.4545 13.6105 -0.00268926 0.000391757 0.00155975 31
9119 59 C 30.6321 31.0041 12.1282 0.00189258 7.07451e-06 0.00217254 31
9120 60 C 30.0203 29.6775 11.7957 0.00124006 0.00177332 -0.00179762 31
9121 61 C 29.4908 29.6416 10.3457 -0.0012227 0.00126341 0.00500611 31
9122 62 C 30.3682 29.9888 9.15765 0.00255058 -0.00212481 -0.00195454 31
9123 63 C 29.6299 29.8909 7.82886 -0.00242129 -0.00228229 -0.00316666 31
9124 64 C 30.4726 30.1498 6.55801 -0.0013904 -0.000330934 -0.00530222 31
9125 65 C 29.6974 29.9864 5.26028 -0.00135582 0.00190276 0.000834465 31
9126 66 C 30.5267 30.1759 3.95511 -0.00440087 -0.000284122 0.00049985 31
9127 67 C 29.7241 30.0671 2.66413 -0.00123882 -0.000808166 0.00127355 31
9128 68 C 30.6244 30.2526 1.45276 0.00227759 0.000327984 0.00120791 31
9129 69 F 26.2635 33.0356 23.0122 0.000889329 0.00042375 -0.000651846 31
9130 70 C 28.9934 26.7446 15.1328 -0.00498455 0.00118587 -0.00443036 31
9131 71 C 29.5128 26.7155 13.6835 -0.000240304 -0.00202236 0.00163404 31
9132 72 C 30.154 25.3175 13.3997 -0.000487661 0.00178023 -0.00244214 31
9133 73 C 30.2475 24.9178 11.884 0.00380565 -0.00183143 -0.000737506 31
9134 74 C 30.1251 25.9902 10.7882 -0.00160785 -0.00338786 -0.00306363 31
9135 75 C 30.2793 25.3336 9.39839 0.00343341 0.00299083 -0.002312 31
9136 76 C 30.0581 26.2578 8.18736 -0.00419664 -0.00200932 0.00105069 31
9137 77 C 30.3786 25.498 6.86752 0.00228056 0.000219967 -0.0010425 31
9138 78 C 30.1497 26.3367 5.57638 0.00566701 -0.000581115 -0.00069279 31
9139 79 C 30.6097 25.5837 4.34105 0.000322012 0.00011404 -0.00118186 31
9140 80 C 30.5018 26.3846 3.04011 -0.00493784 -0.000604204 0.00237943 31
9141 81 C 30.9819 25.6607 1.76574 -0.000838097 -0.000242143 0.00141767 31
9142 82 C 26.5267 32.6891 14.4616 0.000512118 -0.000323679 -0.000249885 31
9143 83 C 27.0122 32.1497 13.0836 0.000841635 -0.000350857 0.00421785 31
9144 84 C 26.1344 32.6404 11.8888 -0.00192987 -0.000399781 -0.00623179 31
9145 85 C 26.7447 32.1534 10.565 -0.00247105 -0.00450338 -0.000606842 31
9146 86 C 26.0462 32.8185 9.36524 0.00287991 -0.000195176 -0.00373299 31
9147 87 C 26.701 32.4765 8.04372 0.00267464 -0.00147948 -0.00399578 31
9148 88 C 26.3769 33.5255 7.00386 0.00353915 0.00050099 -0.00203853 31
9149 89 C 26.6313 33.0873 5.53224 0.00185719 0.005529 0.00242596 31
9150 90 C 25.4663 32.2204 4.97925 0.000370629 -3.97233e-06 0.000975171 31
9151 91 C 25.625 32.0926 3.4268 -0.00226289 0.00245328 -0.00539816 31
9152 92 C 24.8034 33.1685 2.69654 0.00114933 0.000647253 -0.00209705 31
9153 93 C 24.9181 33.2625 1.16744 -0.00422226 0.00376265 0.00256973 31
9154 94 C 19.0338 30.6723 33.439 -0.000813084 0.000444589 -0.00442121 31
9155 95 C 18.9631 30.5112 34.9583 -0.00120436 -0.0006201 0.00041343 31
9156 96 C 17.5412 30.4354 35.6331 0.00564832 0.000616395 -0.00166029 31
9157 97 C 17.635 30.0911 37.1337 0.000808033 0.00767483 0.00393925 31
9158 98 C 17.843 31.1796 38.2137 0.00215468 -0.00418084 0.00304836 31
9159 99 C 17.7902 30.5116 39.6089 -0.00239825 0.000819471 0.00395958 31
9160 100 C 17.8588 31.3898 40.8959 -0.0011485 -0.00417857 0.0003664 31
9161 101 C 17.8253 30.377 42.1086 -0.000731446 -0.000568046 -0.00229886 31
9162 102 C 18.1726 30.9081 43.483 -0.00297197 -0.000500549 -0.000370261 31
9163 103 C 18.2526 29.7649 44.5115 -0.00267855 0.0040178 -0.0058875 31
9164 104 C 18.5019 30.1597 45.9986 -0.000416639 -0.000653095 0.00513905 31
9165 105 C 17.2388 30.4939 46.7658 -0.000196726 0.00306449 -0.0010513 31
9166 106 C 24.4091 34.1641 33.7772 0.00191616 0.00102677 -0.00233122 31
9167 107 C 25.5666 34.4243 34.6872 0.00318405 -0.00388204 0.00493033 31
9168 108 C 25.1817 34.3187 36.1681 -0.0021507 0.00195232 -0.000642574 31
9169 109 C 25.9953 35.2025 37.1528 0.00146239 -0.00361066 -0.000600761 31
9170 110 C 25.6651 34.8015 38.5885 -0.000701972 0.00284271 -0.00136965 31
9171 111 C 26.2791 35.8133 39.6206 0.00283024 0.000244343 -6.87284e-05 31
9172 112 C 25.734 35.6221 41.038 0.00547589 0.0010772 -0.000284815 31
9173 113 C 26.4684 34.5072 41.8244 -0.00187495 0.00300268 -0.00311551 31
9174 114 C 25.9563 34.3461 43.2655 -9.52742e-05 -0.00088594 3.56751e-05 31
9175 115 C 26.3101 35.4762 44.2493 -0.00416088 0.00271451 0.00524662 31
9176 116 C 26.0186 35.0996 45.7026 0.00278445 0.00852098 0.000175729 31
9177 117 C 26.497 36.1931 46.6927 -0.000444507 0.00152129 -0.000437495 31
9178 118 C 24.1484 26.889 34.1595 0.000524566 -0.00167631 0.00394548 31
9179 119 C 25.3125 26.5985 35.1487 0.00261812 0.000955768 0.00202547 31
9180 120 C 24.8023 26.6657 36.6454 -0.0025579 -0.00254512 0.00146876 31
9181 121 C 25.7178 26.1181 37.7595 -0.00430978 0.00399856 -0.00174421 31
9182 122 C 25.1543 26.2964 39.2052 -0.00295458 0.0025473 -0.00365007 31
9183 123 C 26.0176 25.694 40.313 -0.000667514 0.00195797 0.00127015 31
9184 124 C 25.3194 25.9323 41.7118 -0.00444267 0.00296703 0.00116186 31
9185 125 C 26.1323 25.4523 42.9328 -0.00730918 0.00081878 0.000669683 31
9186 126 C 25.6033 25.8846 44.3197 -0.000602184 -0.000860137 -0.00376411 31
9187 127 C 26.488 25.4653 45.5 -0.000490626 -0.0027085 0.00501782 31
9188 128 C 25.8809 25.7081 46.874 -0.000465789 -0.00288059 -0.000362438 31
9189 129 C 25.922 27.191 47.2843 0.00416489 -0.00161553 -0.00346661 31
9190 130 F 24.5418 32.7779 25.1667 -0.00371275 0.00221542 0.00129636 31
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9192 132 H 26.4212 34.1756 29.3373 0.00644297 -0.0146922 -0.0102335 31
9193 133 H 25.2063 32.4328 28.0972 -0.00265425 -0.000745592 -0.00194239 31
9194 134 H 18.5469 30.2997 30.9921 -0.00550685 0.00403249 -0.00757623 31
9195 135 H 18.9247 30.2297 28.5764 -0.0056908 -0.00329359 0.00836276 31
9196 136 H 21.229 30.3159 27.6876 0.00114116 -0.00405178 0.00219827 31
9197 137 H 25.726 26.3409 32.1362 0.00670951 0.00672604 0.00454443 31
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9199 139 H 25.0373 27.9687 28.1921 -0.00649566 0.00248347 -0.000170027 31
9200 140 H 27.1661 28.5292 23.462 -0.0110793 -0.00669569 -0.00266382 31
9201 141 H 25.5762 28.4245 25.4894 -0.0162544 -0.0079797 -0.0157742 31
9202 142 H 27.0517 26.3616 19.5428 0.0158563 -0.0101471 -0.00910785 31
9203 143 H 27.6847 26.1023 17.2477 -0.0157222 -0.00389023 0.00521727 31
9204 144 H 27.292 28.5477 20.704 -0.00206993 0.0241544 -0.00196748 31
9205 145 H 33.3318 30.8542 19.9666 -0.00341206 -0.00809369 0.013689 31
9206 146 H 33.5201 30.985 17.4657 -0.00283015 -0.00745375 -0.00170856 31
9207 147 H 31.1004 30.991 21.0412 0.00180176 -0.0138009 -0.00265224 31
9208 148 H 26.1969 34.9248 19.1023 0.00536322 0.0060127 -0.00102173 31
9209 149 H 26.3519 34.7304 16.5618 0.00337266 -5.52133e-05 -0.000492951 31
9210 150 H 28.9388 30.7151 15.8447 -0.00185456 0.0020912 0.00262226 31
9211 151 H 27.2013 33.2092 20.5214 0.00902121 -0.00311154 -0.000555081 31
9212 152 H 23.2053 30.474 32.902 0.0129978 -0.0165835 0.00104263 31
9213 153 H 32.302 30.2057 14.3423 -0.0041165 0.00455218 -0.00517837 31
9214 154 H 30.6134 29.7875 14.9451 0.00982614 -0.0110665 -0.00153847 31
9215 155 H 31.1537 32.4408 13.5961 0.00396473 -0.00265821 0.0160381 31
9216 156 H 29.6368 31.6249 13.9255 -0.00582498 -0.0238198 0.00432041 31
9217 157 H 31.6194 31.0706 11.6547 -0.0001682 -0.00449829 -0.00274009 31
9218 158 H 30.1044 31.798 11.5854 0.00124603 0.00159024 0.00511827 31
9219 159 H 29.1822 29.4815 12.4758 0.0111911 -0.00598011 0.00821865 31
9220 160 H 30.7661 28.8805 11.9048 -0.00325285 -0.00383901 -0.0120185 31
9221 161 H 28.6147 30.3018 10.3493 0.00465703 0.00901296 0.0193459 31
9222 162 H 29.1022 28.6339 10.1535 -0.0110902 0.00672999 -0.00377049 31
9223 163 H 31.2794 29.3782 9.17358 0.00727365 0.00522693 0.0111775 31
9224 164 H 30.6844 31.0255 9.32689 -0.00285179 -0.00298601 0.013582 31
9225 165 H 28.8434 30.6554 7.84572 -0.0144695 -0.0147941 0.000214809 31
9226 166 H 29.1817 28.9001 7.68467 0.00480254 -0.00500888 -0.00695265 31
9227 167 H 31.3553 29.4984 6.56162 0.00269871 0.00524786 0.00229183 31
9228 168 H 30.7796 31.1981 6.65946 -0.0142532 0.00375908 -0.00847624 31
9229 169 H 28.8586 30.6933 5.26561 0.00427892 0.00865783 -0.00655753 31
9230 170 H 29.3223 28.9564 5.30185 -0.00541866 0.00274709 -0.0157471 31
9231 171 H 31.2999 29.3988 3.91421 0.00414749 0.00793901 0.00621974 31
9232 172 H 31.0249 31.1516 3.89751 0.0038955 -0.00414327 0.00722911 31
9233 173 H 29.0288 30.9078 2.77894 0.00539939 0.005878 -0.00760328 31
9234 174 H 29.1665 29.1227 2.64278 -0.00381693 0.00061274 0.00544951 31
9235 175 H 31.0188 31.2714 1.35314 -0.00583629 0.00526721 0.0198132 31
9236 176 H 30.146 29.9946 0.499922 0.000125723 -0.00852622 0.00469199 31
9237 177 H 31.4443 29.535 1.5804 -0.00014807 -0.002957 -0.00166445 31
9238 178 H 29.7521 26.2968 15.7865 -0.0214408 -0.001013 0.0131478 31
9239 179 H 28.1427 26.0519 15.1358 -0.00496363 0.00119303 0.00191855 31
9240 180 H 28.6782 26.9071 12.9979 -0.00910294 -0.00155654 0.0125532 31
9241 181 H 30.176 27.5695 13.4986 -0.000819482 -0.00340925 -0.00687662 31
9242 182 H 31.1402 25.2733 13.8782 0.00148638 0.00207547 -0.00649075 31
9243 183 H 29.5729 24.5286 13.893 0.00188299 0.0031107 0.00246892 31
9244 184 H 31.1846 24.376 11.706 0.00159612 -0.0102526 0.0133683 31
9245 185 H 29.4708 24.1656 11.699 -0.00423372 0.00410732 0.008875 31
9246 186 H 29.1074 26.3896 10.8793 -0.000647433 -0.00216128 0.00234041 31
9247 187 H 30.8457 26.8026 10.9439 -0.00978837 0.00195826 0.00696281 31
9248 188 H 31.2546 24.8385 9.31426 0.00169178 -0.00322633 0.0140991 31
9249 189 H 29.5385 24.5365 9.25909 -0.00215048 0.00577285 0.0116698 31
9250 190 H 29.0184 26.6058 8.22205 -0.00090403 0.00839643 -0.00506687 31
9251 191 H 30.7349 27.1201 8.22801 -0.00665156 -0.000398718 0.00744184 31
9252 192 H 31.4336 25.2055 6.9377 0.00125334 0.00103094 0.0181279 31
9253 193 H 29.8202 24.5538 6.85607 -0.0102464 0.00778735 -0.011689 31
9254 194 H 29.0732 26.5274 5.48517 0.0058556 -0.000543139 -0.00282999 31
9255 195 H 30.7061 27.2814 5.61208 0.00227468 0.00141322 -0.000672168 31
9256 196 H 31.6201 25.2154 4.5575 -0.0031249 -0.00966257 -0.00167625 31
9257 197 H 29.9796 24.6985 4.19028 0.00163356 0.00107567 -0.0124473 31
9258 198 H 29.4726 26.7592 2.9779 -0.00391713 0.00167424 -0.000697608 31
9259 199 H 31.1355 27.2677 3.18809 -0.00593578 0.00126328 -0.00456189 31
9260 200 H 32.0397 25.3977 1.88971 0.00135756 0.00221027 -0.0121168 31
9261 201 H 30.4131 24.7474 1.55188 0.00722215 -0.00688699 0.00834456 31
9262 202 H 30.9363 26.3083 0.881489 -0.00355924 -0.000875082 0.00109535 31
9263 203 H 25.7711 31.9868 14.8347 -0.00577734 0.00566996 -0.00167113 31
9264 204 H 26.0254 33.6519 14.303 0.000306608 -0.00281995 -0.0149118 31
9265 205 H 28.0453 32.505 12.984 0.00147412 9.76734e-05 0.0121592 31
9266 206 H 27.0618 31.054 13.066 0.0126377 0.000237472 0.000745107 31
9267 207 H 25.0898 32.3057 11.895 -0.00537094 0.0109853 0.0199849 31
9268 208 H 26.1825 33.7355 11.93 -0.00321744 -0.000612009 0.00101105 31
9269 209 H 27.7993 32.4485 10.6281 0.00247028 -0.0207607 -0.00791443 31
9270 210 H 26.6223 31.0648 10.5059 0.00743879 -0.00538971 -0.00464346 31
9271 211 H 24.9866 32.5357 9.3903 0.00279991 0.00123616 0.00989557 31
9272 212 H 26.1844 33.8989 9.49599 -0.00370045 0.00150748 -0.0109383 31
9273 213 H 27.7942 32.4899 8.13341 0.00237987 0.0288094 -0.00450763 31
9274 214 H 26.3816 31.4908 7.68346 -0.00629917 -0.000307094 0.000767479 31
9275 215 H 25.3496 33.8601 7.19375 0.0105454 0.0200539 0.00141126 31
9276 216 H 27.0383 34.378 7.20191 0.00621453 -0.000906412 -0.00488921 31
9277 217 H 26.6888 33.9678 4.88045 -0.0100105 0.0137012 0.0124159 31
9278 218 H 27.5839 32.5453 5.48584 -0.00249691 -0.00198724 0.000832228 31
9279 219 H 25.4396 31.2077 5.40014 -0.00548383 -0.00178952 -0.00364946 31
9280 220 H 24.4904 32.6634 5.21324 0.00161132 -0.00128251 0.00855198 31
9281 221 H 26.6726 32.1788 3.11282 0.000147754 -0.000955009 0.00173501 31
9282 222 H 25.3212 31.0971 3.0804 0.00496947 -0.00556321 0.011288 31
9283 223 H 23.7339 33.0127 2.88452 0.00439099 -0.00343617 0.0128198 31
9284 224 H 25.051 34.1623 3.08961 0.00453394 0.00206487 -0.00780555 31
9285 225 H 24.3711 34.1221 0.760956 -0.0012172 0.000737639 -0.00791679 31
9286 226 H 25.9473 33.3646 0.801892 -0.00317609 -0.0084782 0.00208028 31
9287 227 H 24.4877 32.3706 0.695454 0.00336107 0.00355534 -0.0039528 31
9288 228 H 18.7752 31.7044 33.1718 -0.00565838 -0.000307132 -0.0026173 31
9289 229 H 18.331 29.9252 33.05 0.00037978 -0.00181556 -0.00225146 31
9290 230 H 19.3772 29.5262 35.2065 -0.0250145 -0.0167152 -0.0236142 31
9291 231 H 19.5536 31.2825 35.4682 -0.0136149 0.0037216 0.0082468 31
9292 232 H 16.9295 31.3423 35.55 0.00315581 -0.00149742 -0.00630575 31
9293 233 H 16.8916 29.6979 35.1458 0.00303922 -0.00119829 0.00455994 31
9294 234 H 16.6713 29.6235 37.3706 0.000872662 0.00206151 -0.00688808 31
9295 235 H 18.4048 29.3154 37.2297 -0.0118633 -0.00562776 -0.0015273 31
9296 236 H 18.7675 31.7428 38.0362 -0.00551045 0.00302614 -0.0141841 31
9297 237 H 17.0441 31.93 38.1685 0.00295283 -0.00473991 -0.0203567 31
9298 238 H 16.816 30.017 39.7083 2.7784e-05 -0.00612193 -0.00704467 31
9299 239 H 18.5173 29.694 39.6883 0.0021496 0.0046028 0.00108246 31
9300 240 H 18.8037 31.9468 40.8779 -0.0045391 0.00157939 0.00112946 31
9301 241 H 16.9959 32.0647 40.9522 0.00380871 0.00106857 0.0133053 31
9302 242 H 16.897 29.7939 42.1502 -0.00304346 0.00305368 -0.00333892 31
9303 243 H 18.5739 29.6004 41.9093 0.0116467 0.0122804 -0.00578102 31
9304 244 H 19.1399 31.4256 43.4876 0.000502986 -0.00695461 -0.0107943 31
9305 245 H 17.4597 31.6612 43.8409 0.000344385 0.00110001 0.00290371 31
9306 246 H 17.3244 29.1812 44.4776 0.00808133 -0.0139788 0.00967022 31
9307 247 H 19.0881 29.1475 44.1589 -0.00269306 -0.00126068 0.00337142 31
9308 248 H 18.9939 29.3442 46.543 -0.000451477 -0.0121815 -0.0121145 31
9309 249 H 19.2078 30.9992 46.0153 -0.00304788 0.00157984 0.00407915 31
9310 250 H 16.5665 31.1347 46.1822 0.0039499 0.00142623 -0.0076245 31
9311 251 H 16.7304 29.5766 47.0874 0.00485659 0.000165108 -0.00132264 31
9312 252 H 17.4956 31.0415 47.681 -0.0137964 0.00591795 0.00106283 31
9313 253 H 24.4648 34.8508 32.9235 -0.00613724 -0.00355283 -0.00654294 31
9314 254 H 23.4604 34.371 34.2876 0.00234584 -0.00361905 0.000362041 31
9315 255 H 26.376 33.7409 34.4021 0.00817737 0.00419562 -0.000286957 31
9316 256 H 25.9518 35.4383 34.5237 -0.00674624 -0.000511609 0.00249953 31
9317 257 H 24.1327 34.6005 36.3214 -0.00328156 -0.00123845 -0.00253152 31
9318 258 H 25.2643 33.2638 36.4577 -0.00155716 0.00295042 0.00282745 31
9319 259 H 27.0723 35.1429 36.9527 0.00261022 0.000893585 0.00427283 31
9320 260 H 25.6569 36.2246 36.9422 -0.00486213 -0.00631047 -0.00361187 31
9321 261 H 24.5773 34.7743 38.7276 -0.00157054 0.00587023 -0.00756507 31
9322 262 H 26.1031 33.8067 38.7367 -0.0143142 -0.000671956 0.0149808 31
9323 263 H 27.3753 35.7821 39.648 0.00357345 0.0133913 -0.0144901 31
9324 264 H 25.9941 36.8225 39.2987 0.00502781 0.00377773 0.00906417 31
9325 265 H 25.8076 36.6314 41.4615 -0.0139927 0.00534895 -0.00697895 31
9326 266 H 24.6627 35.3861 41.035 0.00449605 0.00534912 0.00787164 31
9327 267 H 26.3232 33.59 41.2404 0.0115525 0.0016694 -0.00433549 31
9328 268 H 27.5403 34.7197 41.9205 -0.0019799 0.00266045 -0.00117413 31
9329 269 H 24.8776 34.1579 43.3331 -0.00149751 0.00525563 -0.00557747 31
9330 270 H 26.4363 33.4318 43.6358 0.00222345 -0.00299563 -0.00817733 31
9331 271 H 27.3754 35.713 44.1373 -0.00244348 -0.0107106 -0.00691251 31
9332 272 H 25.7403 36.3908 44.0439 -0.00278106 0.00181161 -0.00253598 31
9333 273 H 24.9481 34.9191 45.8602 0.0052814 -0.000890516 0.00639299 31
9334 274 H 26.5411 34.1647 45.9399 -0.0128086 -0.000936282 -0.00280209 31
9335 275 H 26.1297 35.9794 47.704 0.00729106 -0.00588569 0.000791495 31
9336 276 H 27.5856 36.3153 46.7509 0.00125407 -0.0113236 -0.00545348 31
9337 277 H 26.0268 37.1593 46.472 0.00358748 0.00199011 -0.00691306 31
9338 278 H 23.2086 26.8526 34.724 0.00377958 -0.00790862 0.00898292 31
9339 279 H 24.01 26.0575 33.4575 0.00238366 0.00890868 -0.00892484 31
9340 280 H 26.0239 27.4077 34.9427 -0.0024893 0.00709204 0.00847519 31
9341 281 H 25.8821 25.686 34.9334 0.00378443 -0.00024613 0.0101813 31
9342 282 H 23.8997 26.044 36.6915 0.00605211 -0.0153423 -0.00205005 31
9343 283 H 24.5196 27.7054 36.8516 0.0158628 0.0021255 0.00314113 31
9344 284 H 26.6853 26.6263 37.6639 0.00271582 -0.00740502 0.00896923 31
9345 285 H 25.8831 25.049 37.5778 -0.00334584 0.00413746 -0.00168306 31
9346 286 H 24.187 25.7824 39.2651 -0.0015731 9.70508e-05 -0.00232607 31
9347 287 H 25.0012 27.3501 39.4692 0.00554397 0.00279631 0.000320119 31
9348 288 H 27.0193 26.1411 40.3252 -0.00210241 0.00531876 -0.00457172 31
9349 289 H 26.0765 24.6098 40.1566 -0.00177885 0.000464167 0.0111421 31
9350 290 H 24.3664 25.3894 41.6892 0.00246248 -0.00918381 0.00148918 31
9351 291 H 25.08 27.0008 41.7771 -0.00264419 0.00333651 0.0016866 31
9352 292 H 27.1684 25.7899 42.807 -0.00901237 0.00334884 -0.00655834 31
9353 293 H 26.2873 24.3671 42.8929 0.0095961 0.00315872 0.00161423 31
9354 294 H 24.5874 25.4839 44.4228 -0.00418718 0.00882814 -0.00136496 31
9355 295 H 25.4971 26.9747 44.3812 6.49518e-05 -0.000688111 -0.00569093 31
9356 296 H 27.4712 25.9508 45.4706 -0.00029187 -0.00327388 0.00239556 31
9357 297 H 26.6652 24.3836 45.4559 0.020699 0.000603032 0.00890658 31
9358 298 H 26.4856 25.0872 47.5464 -0.00518768 -0.00753661 -0.000412916 31
9359 299 H 24.8373 25.3813 46.9613 0.00608418 -0.0223923 0.00459329 31
9360 300 H 26.9146 27.6249 47.1113 -0.0026463 0.0125779 -0.00688347 31
9361 301 H 25.7709 27.2986 48.3655 0.0237028 0.0198307 -0.00284034 31
9362 302 H 25.1247 27.7598 46.7902 0.012154 0.0113264 -0.00143797 31
9363 1 C 29.3586 40.5636 31.4137 -0.00212001 0.00321164 0.00170584 32
9364 2 C 29.4932 40.5104 30.0318 0.000240925 -0.000766801 -0.0016965 32
9365 3 C 28.8531 39.5038 29.2963 -0.00198555 -0.00293248 -0.000316244 32
9366 4 C 28.2201 38.4457 29.991 -0.000404061 -0.000484129 -0.00128996 32
9367 5 C 28.1421 38.4767 31.4198 -0.00100547 -0.00127911 0.00198037 32
9368 6 C 28.7044 39.5548 32.1319 3.56122e-05 -0.00179838 -0.00298086 32
9369 7 C 23.6723 37.0231 30.8583 0.00184757 -0.00392508 0.00283194 32
9370 8 C 23.8358 36.9798 29.4316 0.000914996 0.00129979 -0.00217351 32
9371 9 C 25.1067 37.0619 28.8593 0.000140777 0.00168058 0.00218287 32
9372 10 C 26.191 37.175 29.7154 -0.00159542 0.00337342 -3.78005e-05 32
9373 11 C 26.051 37.1872 31.1629 0.00170188 0.00468104 -0.00263356 32
9374 12 C 24.7441 37.1126 31.7488 0.000332664 0.00274189 -0.00388069 32
9375 13 C 29.2979 33.8957 31.4389 -0.00279431 0.000725181 -0.00240681 32
9376 14 C 29.4749 33.9091 30.0546 0.00152786 0.000110292 -0.000866968 32
9377 15 C 28.9937 35.0009 29.336 0.00135263 0.00227107 0.00243825 32
9378 16 C 28.3145 36.0353 30.0177 -0.00303488 -0.00296127 -0.00244915 32
9379 17 C 27.6382 37.2093 29.2631 -0.000329687 -0.00330204 -0.00485833 32
9380 18 O 28.5277 34.797 33.534 0.000265764 0.001185 0.00051252 32
9381 19 O 24.5303 37.2084 33.1358 -0.000579939 -0.000288243 -0.00221811 32
9382 20 O 28.6949 39.6354 33.5108 0.00173851 0.00529197 -0.00407458 32
9383 21 C 28.6466 34.9207 32.1399 0.00422125 -0.000712954 -0.00251975 32
9384 22 C 27.9541 37.1912 27.8371 0.00180764 0.00190142 0.000897184 32
9385 23 C 28.4506 37.212 26.7288 0.00424796 0.00302888 -6.24052e-05 32
9386 24 C 29.221 37.2492 25.4973 -0.00383005 0.000430422 0.000263048 32
9387 25 C 29.5229 38.4624 24.8685 0.000350572 -0.000416855 0.00285245 32
9388 26 C 30.3243 38.4566 23.717 0.00229857 0.00227122 -0.00289365 32
9389 27 C 30.8978 37.2442 23.2294 -0.00451885 0.000206257 0.00178877 32
9390 28 C 30.541 36.0612 23.8711 -0.000901537 0.000214114 0.00213725 32
9391 29 C 29.781 36.0347 25.0332 -0.000282943 -0.00613404 -0.00319248 32
9392 30 C 31.627 37.2232 22.0126 -0.00282029 -0.00305258 -4.1278e-05 32
9393 31 C 32.1113 37.2641 20.9038 -0.0013205 -0.000583805 0.000414056 32
9394 32 C 30.5688 34.2631 18.0892 0.0014969 0.00479709 -0.000889249 32
9395 33 C 30.7328 34.5027 16.7304 -0.000405485 -0.00267315 -0.00167387 32
9396 34 C 31.5473 35.5567 16.2895 -0.00227341 -0.00260324 0.00040946 32
9397 35 C 32.1166 36.4033 17.2345 0.00295496 -0.00165623 0.00449461 32
9398 36 C 31.8653 36.2771 18.6186 0.00330857 0.000475783 0.00741675 32
9399 37 C 31.0797 35.1657 19.0467 -0.00614285 0.000887605 0.0010881 32
9400 38 C 32.4603 37.4101 19.4763 -0.00214436 -1.6991e-06 -0.000898106 32
9401 39 C 36.3426 37.4722 19.4081 -0.00146209 -0.00289901 -0.00116458 32
9402 40 C 36.5809 37.5318 18.027 0.00151123 7.90795e-05 0.000121942 32
9403 41 C 35.5011 37.4413 17.1558 -0.00418625 -0.00360309 0.00386242 32
9404 42 C 34.1777 37.4709 17.6719 -0.00246778 -0.00144957 -0.000461104 32
9405 43 C 33.9629 37.4049 19.0706 0.0029187 0.00165437 0.0011052 32
9406 44 C 35.0542 37.396 19.9572 -0.000302539 -0.00394859 -0.000241839 32
9407 45 C 30.9588 40.925 18.8412 0.00283054 -0.00130389 2.01862e-05 32
9408 46 C 31.1861 41.0147 17.47 -0.00235337 0.00142069 -0.000920951 32
9409 47 C 31.7424 39.9431 16.7552 0.00594051 -0.0012802 -0.00553255 32
9410 48 C 32.1958 38.8313 17.4501 -0.00321563 0.000247813 -0.000729897 32
9411 49 C 32.9023 37.6259 16.8157 0.00360881 -0.0020142 0.0001739 32
9412 50 C 31.9655 38.7262 18.8296 0.00277778 -0.00301255 -0.00230832 32
9413 51 C 31.3654 39.7938 19.5416 0.00176651 -0.00347698 -0.00339193 32
9414 52 O 35.7318 37.4732 15.8166 4.57977e-05 0.000708041 0.000400072 32
9415 53 O 31.6335 35.9143 14.949 0.00241105 0.00547458 -0.00218164 32
9416 54 O 31.7414 39.8771 15.3641 0.00122984 -0.00253999 0.000595055 32
9417 55 C 27.3764 37.2413 31.9295 -0.00144886 -0.0029288 0.00120893 32
9418 56 C 28.1397 36.0177 31.4295 0.0033699 0.000824414 -0.00189273 32
9419 57 C 35.6126 36.2486 15.0931 0.00170085 1.55722e-05 -2.46197e-06 32
9420 58 C 36.3001 36.3088 13.7367 0.00144515 -0.00138339 0.00283777 32
9421 59 C 35.3572 36.7313 12.5787 -0.000103432 0.00221047 -0.00213002 32
9422 60 C 35.8776 36.4369 11.1715 0.00328856 -0.000114173 0.000173331 32
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9425 63 C 34.1618 37.048 7.66569 -0.00235847 -0.00160062 0.00593301 32
9426 64 C 34.6676 36.9685 6.17747 -0.00307761 0.000865951 -0.00127933 32
9427 65 C 33.4436 36.913 5.27025 0.00321705 -0.000273776 -0.000136775 32
9428 66 C 33.5403 37.4122 3.8095 -0.00269718 0.000706419 -0.00324931 32
9429 67 C 33.8573 36.373 2.719 0.000873627 0.0024209 0.00250661 32
9430 68 C 33.6832 36.9442 1.31986 -0.00244381 -0.000641097 -0.00275386 32
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9434 72 C 31.2762 35.0474 11.3297 -0.00283063 -0.00266119 0.000998932 32
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9442 80 C 29.5068 35.4159 3.20167 -0.00281908 -0.00315518 0.000417757 32
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9444 82 C 32.6705 40.5916 14.5523 -0.00264859 -0.000289689 0.00140964 32
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9446 84 C 33.4772 40.152 12.2144 -0.000459498 -0.000728836 0.00258355 32
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9449 87 C 34.6109 41.1532 9.62527 0.00349189 0.000239126 0.00446025 32
9450 88 C 34.3922 41.9785 8.3543 0.000244949 9.34942e-06 -0.00128314 32
9451 89 C 34.4153 41.0581 7.1384 -0.00296815 0.000411402 -0.00688006 32
9452 90 C 34.1563 41.7834 5.78397 -0.00408394 0.00189721 0.000579166 32
9453 91 C 34.0091 40.7923 4.57139 -0.000207647 -0.00311764 -5.3064e-05 32
9454 92 C 33.914 41.5475 3.2654 -0.000766613 0.000823954 0.000152494 32
9455 93 C 33.8309 40.6413 2.04157 6.43258e-05 0.000433293 -0.00227682 32
9456 94 C 23.2101 37.3177 33.7035 0.000600886 -0.000465092 0.00245185 32
9457 95 C 23.2218 37.4711 35.2359 -0.000931526 -0.000339399 -0.00173481 32
9458 96 C 21.8479 37.1104 35.9763 0.00322883 0.00329223 -0.00371978 32
9459 97 C 22.0825 36.7679 37.4895 -0.000728505 0.00238572 -0.00297807 32
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9461 99 C 22.7034 37.719 39.8159 -0.00201514 0.000259026 -0.00114104 32
9462 100 C 21.7649 37.235 40.906 -0.00369321 0.000757749 0.00203857 32
9463 101 C 22.5583 37.0886 42.2348 0.000238106 0.00364257 0.00418474 32
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9465 103 C 22.5741 36.9561 44.7181 6.24436e-05 0.00149317 0.00269054 32
9466 104 C 21.8087 36.7686 46.0467 0.00382612 0.00010899 -0.00426081 32
9467 105 C 22.7064 36.2997 47.2117 -0.00129058 -0.00105543 -0.00216978 32
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9471 109 C 29.0856 42.7322 37.5896 0.00268937 -0.00105881 -0.00167478 32
9472 110 C 29.9356 41.8908 38.5368 -0.00688586 -0.00370919 0.000674297 32
9473 111 C 29.4153 41.7819 39.9693 9.63839e-05 -0.00170882 -0.000350421 32
9474 112 C 29.2989 43.146 40.6942 -0.00244506 -0.00161905 0.000700491 32
9475 113 C 29.0804 42.9982 42.2129 0.0024842 0.00622274 -0.00207019 32
9476 114 C 30.2936 42.3163 43.0029 -0.00237623 0.00194257 0.00266651 32
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9478 116 C 29.1418 41.7834 45.2447 -0.000918942 -0.00183632 -0.001422 32
9479 117 C 29.2459 41.8489 46.7617 0.00163211 -0.00111801 0.000432559 32
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9481 119 C 28.9517 33.5651 35.6722 0.00243342 -0.00218025 0.00180705 32
9482 120 C 29.7674 32.4002 36.3315 -0.00350723 0.00358837 -0.00148794 32
9483 121 C 29.4259 32.1097 37.7935 0.00109727 0.00210673 0.00122714 32
9484 122 C 29.3907 33.4114 38.6102 0.00328383 -0.00216069 0.000823436 32
9485 123 C 29.1488 33.2116 40.145 -0.00196936 -0.00524369 -0.00343712 32
9486 124 C 30.3564 32.6035 40.945 -0.00129931 0.000230401 -8.72461e-05 32
9487 125 C 30.3924 33.0404 42.3724 0.000940645 0.00513388 0.000366549 32
9488 126 C 29.381 32.3557 43.2924 -0.0011934 -0.00248704 -0.00145291 32
9489 127 C 29.156 32.9883 44.66 0.0013902 -0.00368234 -0.000958015 32
9490 128 C 30.4798 33.3025 45.398 -0.00208344 -0.000243446 -0.00312976 32
9491 129 C 30.2386 33.7828 46.8087 0.000376609 -0.000809788 -0.0009034 32
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9504 142 H 29.9207 33.451 18.4053 0.00227411 0.00741694 0.00741199 32
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9512 150 H 33.0619 37.6789 15.7316 0.00625607 0.0147489 0.00140597 32
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9522 160 H 36.8448 36.9326 11.0219 0.00114839 0.00425563 0.000777308 32
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9525 163 H 35.2393 35.4574 8.69401 -0.00674688 0.0010587 0.0210363 32
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9531 169 H 32.6123 37.4704 5.71933 0.00604721 0.00281224 0.0012609 32
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9575 213 H 35.5808 40.6408 9.60938 0.00521754 0.00360396 0.00136594 32
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9577 215 H 33.4019 42.4321 8.48449 0.0035308 0.00560541 0.00429443 32
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9630 268 H 28.146 42.4469 42.3752 0.00400586 0.01051 0.0211802 32
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9638 276 H 28.2817 41.6281 47.2361 0.00150543 0.00284148 0.00203401 32
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9645 283 H 29.7536 31.4944 35.7129 0.00697231 0.000181104 0.00324195 32
9646 284 H 30.1315 31.4233 38.2776 -0.0172353 -0.0102362 0.010424 32
9647 285 H 28.4324 31.6477 37.7381 -0.0024285 0.0076796 0.018643 32
9648 286 H 28.5667 33.995 38.1814 0.00271244 -0.00908103 -0.00756245 32
9649 287 H 30.3368 33.9309 38.4139 0.010293 -0.0109012 0.011473 32
9650 288 H 28.2717 32.5709 40.299 -0.000822558 -0.00574469 0.00100173 32
9651 289 H 28.9421 34.2131 40.5421 0.0104136 -0.00470933 0.00167271 32
9652 290 H 31.3031 32.9415 40.5058 0.0050733 -0.00563244 0.00910785 32
9653 291 H 30.3859 31.508 40.8955 -0.0118985 -0.000322532 0.00610718 32
9654 292 H 30.2173 34.1232 42.3834 0.00661276 0.00618561 -0.0125437 32
9655 293 H 31.4079 32.9331 42.7733 -0.00128531 -0.00467855 0.003342 32
9656 294 H 29.718 31.3273 43.4716 -0.0142431 -0.00656788 -0.000379327 32
9657 295 H 28.4327 32.3683 42.741 0.00051113 0.0113666 -0.00411365 32
9658 296 H 28.5387 32.3084 45.2601 0.000874047 0.00658449 0.0101407 32
9659 297 H 28.5825 33.9177 44.5563 0.0045054 -0.00234194 -0.00614142 32
9660 298 H 31.023 34.074 44.8385 -0.000238163 -4.77353e-05 -0.00106512 32
9661 299 H 31.101 32.3984 45.3855 0.00729316 0.00629412 -0.00995256 32
9662 300 H 30.0449 32.9789 47.5296 0.00530181 -0.00600561 -0.00538467 32
9663 301 H 29.4207 34.5127 46.8489 -0.00536969 -0.00688384 -0.00784419 32
9664 302 H 31.1169 34.3252 47.18 -0.0029156 -0.000744703 0.00680022 32
9665 1 C 33.1767 33.9201 31.1694 -0.00302775 0.00347148 0.000230524 33
9666 2 C 33.3429 33.835 29.8008 -0.00359876 0.00310415 0.00135924 33
9667 3 C 32.7754 32.8042 29.0996 -0.00467692 0.00212004 -0.00805884 33
9668 4 C 32.0907 31.7599 29.8251 -0.0015972 0.00517196 -0.00199317 33
9669 5 C 31.9736 31.835 31.2116 0.000428984 -0.00131198 0.00105749 33
9670 6 C 32.5136 32.9469 31.9225 0.00247396 0.00310314 -0.0031795 33
9671 7 C 27.5441 30.2389 30.6454 0.000666174 0.00174062 0.00140554 33
9672 8 C 27.6978 30.2482 29.2218 0.00187522 -0.00430413 -0.00438526 33
9673 9 C 28.9927 30.352 28.7234 -0.000965992 -0.000304325 0.00291947 33
9674 10 C 30.0871 30.4594 29.5875 -0.00333646 0.00638092 0.000714556 33
9675 11 C 29.9282 30.4855 31.0019 -7.92461e-05 -0.000198018 -0.000593123 33
9676 12 C 28.6282 30.4365 31.5414 -0.000139953 -0.000222684 -0.00361584 33
9677 13 C 33.1286 27.1874 31.3098 0.000281277 -0.00419458 0.00305569 33
9678 14 C 33.3416 27.2295 29.9477 0.00287313 -4.39794e-05 0.00182456 33
9679 15 C 32.8589 28.3061 29.2193 -0.00332682 0.0068062 0.00253504 33
9680 16 C 32.1892 29.3609 29.8694 0.00017207 -0.00168445 0.00180707 33
9681 17 C 31.5495 30.5059 29.1458 0.00138215 -0.00412408 -0.000990034 33
9682 18 O 32.359 28.1814 33.376 -0.00208241 -0.000158866 0.00117812 33
9683 19 O 28.3867 30.5203 32.9256 -0.00233028 -0.000883008 0.000324288 33
9684 20 O 32.3693 33.1707 33.3364 -0.00257385 0.00495074 -0.00303882 33
9685 21 C 32.512 28.2468 31.9979 -0.000195865 -0.00174467 0.0026948 33
9686 22 C 31.7771 30.4848 27.6983 0.00163296 0.000176131 -0.000512481 33
9687 23 C 32.2761 30.5271 26.6039 0.00169021 0.0011538 0.00437578 33
9688 24 C 33.0424 30.5834 25.4165 -0.00115399 -0.00317353 0.00273322 33
9689 25 C 32.9661 31.6244 24.5081 -0.000818291 0.00191424 0.00454299 33
9690 26 C 33.7763 31.6064 23.376 0.00192237 -0.000758452 -0.00202686 33
9691 27 C 34.7742 30.6548 23.2162 0.00351745 -0.00353527 0.000966126 33
9692 28 C 34.8659 29.6035 24.1139 -0.00282295 0.000746884 0.00189905 33
9693 29 C 33.9848 29.5341 25.2294 0.000882001 -0.000106297 -0.00530829 33
9694 30 C 35.6039 30.7258 22.0523 -0.00159647 -0.00135174 -0.00513197 33
9695 31 C 36.139 30.7347 20.9582 -0.000342492 0.00115819 0.00479492 33
9696 32 C 34.9491 27.257 18.7115 -0.000194339 -0.00112185 -0.00104974 33
9697 33 C 35.1599 27.256 17.3061 0.000511023 -0.00109402 0.000660049 33
9698 34 C 35.7274 28.365 16.6585 0.00378196 -0.00224544 0.00117935 33
9699 35 C 36.0413 29.5023 17.4112 -0.000716618 -0.00262248 0.00084035 33
9700 36 C 35.8439 29.4933 18.8094 -0.00335057 0.00050278 0.000514532 33
9701 37 C 35.2864 28.3868 19.4499 0.00231601 0.00178887 0.00230456 33
9702 38 C 36.4028 30.7343 19.5157 0.00479137 -0.000347182 -0.00159506 33
9703 39 C 40.2861 30.7983 19.27 0.000713995 -0.000230034 0.00425494 33
9704 40 C 40.4212 30.8392 17.8756 -0.00100072 -0.00268103 0.00212629 33
9705 41 C 39.2892 30.9304 17.0596 -0.00190893 -0.00347285 -0.00193198 33
9706 42 C 38.0346 30.8196 17.6548 -0.0021099 0.000892457 0.000244877 33
9707 43 C 37.88 30.7672 19.0662 -0.00170886 0.000724159 -0.000342521 33
9708 44 C 39.0274 30.7987 19.8798 -0.00033482 0.0024055 0.00127172 33
9709 45 C 34.3451 33.9416 18.5733 0.000184255 -0.000104506 -0.0016271 33
9710 46 C 34.5281 33.8697 17.1904 -0.000546529 -0.000805327 -7.76642e-05 33
9711 47 C 35.3113 32.8955 16.6016 -0.00157328 -0.00507092 0.001551 33
9712 48 C 35.9021 31.8976 17.4064 0.00388956 0.00150849 0.0017508 33
9713 49 C 36.7537 30.7645 16.8578 0.00507631 4.46556e-05 -0.000671685 33
9714 50 C 35.7315 31.9202 18.8119 -0.00106342 0.000164797 -0.000936747 33
9715 51 C 34.9807 32.9817 19.3945 -0.00137088 0.00334558 -0.00361713 33
9716 52 O 39.3898 31.0979 15.6751 0.000556393 -0.00145502 -0.00047609 33
9717 53 O 36.0633 28.3083 15.3195 -0.00379347 -0.000518071 -0.00196446 33
9718 54 O 35.559 32.9591 15.2871 0.00187222 -0.00490339 -0.000675154 33
9719 55 C 31.2571 30.5868 31.7856 0.001833 -0.00149747 0.00190993 33
9720 56 C 32.0601 29.3539 31.2725 -0.00419998 -0.00176289 -0.00177425 33
9721 57 C 39.5195 29.9692 14.8272 -0.000121745 -0.0027704 -0.00223406 33
9722 58 C 39.1701 30.465 13.3855 -0.0035369 0.00245719 -0.003429 33
9723 59 C 37.6575 30.669 13.1747 -0.00641823 -0.00113669 3.29689e-05 33
9724 60 C 37.0756 30.6337 11.7034 -0.00240856 0.00202601 0.00237486 33
9725 61 C 37.955 30.129 10.5479 0.00459621 -0.00737413 0.00045307 33
9726 62 C 37.2745 30.4398 9.19763 0.00428642 0.00126808 3.39546e-05 33
9727 63 C 38.1592 30.0514 7.9836 6.42139e-05 0.000436274 0.000733058 33
9728 64 C 37.5308 30.512 6.62981 -0.000325134 -0.00132272 0.00496474 33
9729 65 C 38.4879 30.2732 5.41122 0.000972382 -0.00153108 -0.000414941 33
9730 66 C 37.8888 30.531 4.04398 -0.000941196 0.000985059 0.00347424 33
9731 67 C 38.796 30.0198 2.9208 -0.00222703 -0.0010024 -0.00109468 33
9732 68 C 38.2422 30.2519 1.52514 0.00276695 0.000746425 0.00341648 33
9733 69 F 33.5858 32.5675 22.4712 0.00257125 0.00185966 -0.00375067 33
9734 70 C 36.3406 27.0531 14.7289 -0.00214794 -0.00233312 -0.00286454 33
9735 71 C 36.9015 27.2248 13.3066 -0.000290848 -0.00367608 -0.000153523 33
9736 72 C 37.3848 25.8574 12.7518 -0.00280579 -0.00202981 0.0022713 33
9737 73 C 37.857 25.9067 11.2878 0.00209154 -0.000756301 -0.00195769 33
9738 74 C 38.4345 24.553 10.8679 0.00105074 -0.00308047 0.000987012 33
9739 75 C 39.1266 24.6627 9.48542 -0.00275721 0.00387472 -3.53062e-05 33
9740 76 C 38.2466 24.9413 8.25413 0.00368942 0.00171968 4.70815e-06 33
9741 77 C 38.1044 26.4192 7.85364 0.000335296 -0.000931119 0.00107429 33
9742 78 C 37.5473 26.5585 6.39227 -0.00165704 0.00121496 0.00577984 33
9743 79 C 38.5972 26.2658 5.2847 -0.00173401 -0.00368815 0.00324726 33
9744 80 C 37.9764 26.2857 3.87174 -6.2922e-05 -0.00145043 0.000844787 33
9745 81 C 38.9963 25.9084 2.82968 0.00126028 -0.000333452 0.000895104 33
9746 82 C 34.5898 32.4186 14.359 0.000937928 0.003881 -0.000288413 33
9747 83 C 34.8401 33.1009 13.0216 0.000139382 -0.000326813 0.00252801 33
9748 84 C 34.0803 32.4282 11.8541 0.00134255 0.000423924 0.0033942 33
9749 85 C 34.2727 33.07 10.4718 0.00342501 -0.00138623 6.02636e-05 33
9750 86 C 33.455 32.2517 9.40031 -0.000210798 -0.0026438 -0.00352784 33
9751 87 C 33.1648 33.0395 8.14992 0.00336731 0.00213572 -0.00217866 33
9752 88 C 34.2418 33.0476 7.06843 0.0019434 -0.00158919 0.00174169 33
9753 89 C 34.1035 31.8004 6.1173 -0.000707243 0.00348297 0.000664407 33
9754 90 C 34.8497 32.0059 4.78761 -0.00133848 -0.00292293 -0.000441067 33
9755 91 C 34.1689 33.054 3.8482 0.00118382 -0.00327217 -0.00248661 33
9756 92 C 33.7479 32.4909 2.48139 0.00240823 -0.0035357 0.000819686 33
9757 93 C 34.9678 32.1706 1.59292 -0.00330935 0.00222593 0.0011604 33
9758 94 C 27.0596 30.2907 33.4562 -0.000826091 0.000159248 0.000661137 33
9759 95 C 27.0573 30.6559 34.9241 0.00291455 0.00492368 0.0013596 33
9760 96 C 25.7236 30.3943 35.6327 0.00112485 -0.000326167 0.00261762 33
9761 97 C 25.6729 30.9315 37.0934 0.00151023 0.00524047 0.00173292 33
9762 98 C 25.761 29.8811 38.2194 0.00195178 -0.000602907 -0.00165845 33
9763 99 C 26.1554 30.599 39.5376 0.00155394 0.00221172 -0.00294628 33
9764 100 C 25.9175 29.717 40.7419 0.00432442 0.00103253 0.000717437 33
9765 101 C 26.4553 30.308 42.0557 -9.68904e-06 0.00180583 0.00106605 33
9766 102 C 26.2265 29.2968 43.1955 -0.000229381 0.00173036 -0.00178576 33
9767 103 C 26.8075 29.7121 44.5528 -0.00197817 -0.00480556 0.00210035 33
9768 104 C 25.9291 30.7554 45.3565 0.000381448 0.00342251 -0.00118068 33
9769 105 C 26.3193 30.8967 46.7898 -0.00114661 0.00517317 -0.0028097 33
9770 106 C 33.1523 34.1706 34.0102 -0.00610051 -0.00177696 -0.00359623 33
9771 107 C 32.8094 34.4278 35.506 -0.00230041 0.000861794 4.03062e-05 33
9772 108 C 33.7737 35.5132 36.08 0.00142986 0.00123748 -0.00344752 33
9773 109 C 33.4998 36.0997 37.5014 0.00195617 0.00373852 -0.00100307 33
9774 110 C 33.4435 35.1178 38.727 -0.00259314 0.0010033 0.000316808 33
9775 111 C 33.6567 35.8427 40.0947 -0.00527205 0.00504855 0.00194341 33
9776 112 C 33.3502 35.0221 41.365 -0.000262218 0.00294599 0.000872926 33
9777 113 C 34.0801 35.5569 42.6263 -0.00180225 1.65063e-05 -0.000853121 33
9778 114 C 33.5848 35.2188 44.0294 -0.00523262 -0.00442406 0.00226193 33
9779 115 C 34.4127 35.8939 45.1293 -0.00295729 -0.000881095 -0.00210902 33
9780 116 C 33.7564 35.7599 46.5431 0.000415081 0.00460434 -0.00242956 33
9781 117 C 33.8556 34.328 47.1036 0.00235423 -0.000766372 0.00107545 33
9782 118 C 32.6866 26.9768 34.0911 0.00107685 0.00353537 -0.00361076 33
9783 119 C 32.8945 27.2871 35.5776 0.00291172 -0.00245718 0.00178467 33
9784 120 C 33.0722 26.0868 36.5 0.00360376 0.000648342 0.00417764 33
9785 121 C 33.7719 26.4242 37.8529 -0.000667679 -0.00162533 0.00251557 33
9786 122 C 33.493 25.454 38.9776 -0.000232902 0.00416909 -0.0024383 33
9787 123 C 34.0683 26.0114 40.2982 0.00134525 -0.000895859 0.000803099 33
9788 124 C 33.5424 25.2941 41.5276 0.00153951 -0.00319529 0.000986584 33
9789 125 C 34.1538 25.763 42.8688 -0.00213217 -0.00163547 -0.0027111 33
9790 126 C 33.3564 25.0496 44.0226 0.00423583 -0.000462371 0.00527292 33
9791 127 C 33.9639 25.3322 45.4098 -0.0030689 0.000873024 0.00509245 33
9792 128 C 33.625 26.6895 46.0227 0.00277362 0.000227178 -0.00398039 33
9793 129 C 34.6501 27.1194 47.1025 -0.00321111 0.00203727 0.000106795 33
9794 130 F 32.0225 32.5815 24.6206 -0.00171797 0.00108732 -0.00362464 33
9795 131 H 33.6551 34.7777 31.6331 0.00557782 -0.00287872 0.00311503 33
9796 132 H 33.8294 34.6411 29.2596 0.00674057 -0.00646385 -0.00354988 33
9797 133 H 32.976 32.7907 28.0323 0.0188586 0.011492 -0.00379711 33
9798 134 H 26.5446 30.1126 31.0508 0.00205928 0.00806783 0.00683209 33
9799 135 H 26.8311 30.1083 28.5824 -0.00133345 -0.00443984 -2.00915e-05 33
9800 136 H 29.0964 30.2765 27.645 -0.00602852 -0.0022916 0.00256119 33
9801 137 H 33.4722 26.2952 31.8248 0.0103308 -0.00427684 -0.00380413 33
9802 138 H 33.8182 26.3973 29.438 0.00391354 0.00315705 -0.00243056 33
9803 139 H 32.9547 28.2999 28.1376 -0.00618542 0.0183822 0.0022013 33
9804 140 H 35.6536 28.8649 23.9983 -0.00577826 -0.00304165 0.00595686 33
9805 141 H 34.0764 28.709 25.9296 -0.00242442 -0.00181783 -0.00689257 33
9806 142 H 34.5551 26.3914 19.2359 0.00433845 -0.00844377 -0.00973903 33
9807 143 H 34.9331 26.3747 16.7133 0.00786151 0.00679022 -0.0139281 33
9808 144 H 35.1953 28.3209 20.5301 0.00898322 0.00403522 0.0030039 33
9809 145 H 41.1791 30.7577 19.8867 0.00533912 -0.00382994 -0.00267114 33
9810 146 H 41.3992 30.8922 17.4064 -0.00548135 0.00279105 -0.00661362 33
9811 147 H 38.9486 30.7756 20.9627 -0.00696374 0.00401542 0.000822803 33
9812 148 H 33.7958 34.7553 19.0374 0.00224646 0.00224779 -0.00330962 33
9813 149 H 34.0824 34.6347 16.5615 0.00270258 -0.00437792 -0.00672681 33
9814 150 H 36.8732 30.8323 15.7694 0.01317 0.0187368 0.00136149 33
9815 151 H 34.9134 33.1133 20.4704 0.00594334 -0.00882703 -0.00168262 33
9816 152 H 31.0987 30.7156 32.8634 0.00609492 -0.00777752 0.00326706 33
9817 153 H 40.5201 29.5275 14.9117 -0.00013525 -0.00245849 -0.00044821 33
9818 154 H 38.7582 29.2312 15.1087 -0.00166152 0.00467754 0.0131668 33
9819 155 H 39.5481 29.6547 12.75 -0.0066032 0.00397475 -0.00716772 33
9820 156 H 39.7447 31.3597 13.1156 -0.00348362 0.00439571 0.00313166 33
9821 157 H 37.4087 31.6436 13.6126 0.00472559 0.00344502 -0.00380019 33
9822 158 H 37.1168 29.8925 13.7299 -0.0136898 0.0116497 0.0107927 33
9823 159 H 36.6954 31.624 11.4238 0.00352667 0.00164853 -0.0070291 33
9824 160 H 36.1691 30.0164 11.6763 0.00188293 -0.00430958 0.00327336 33
9825 161 H 38.128 29.0492 10.6341 0.000276832 -0.00747053 0.00784472 33
9826 162 H 38.9479 30.595 10.569 -0.00500108 0.0129618 0.0022029 33
9827 163 H 37.0511 31.5123 9.14174 0.00894859 0.00168159 -0.0106602 33
9828 164 H 36.3092 29.9189 9.1854 0.00290935 0.00363179 0.00720607 33
9829 165 H 38.3748 28.9758 7.97971 -0.00972579 -0.00152763 0.00283006 33
9830 166 H 39.1391 30.5299 8.10328 0.000931615 0.000777095 -0.00773105 33
9831 167 H 37.2981 31.5773 6.74986 -0.0100781 -0.00254462 -0.00326536 33
9832 168 H 36.5859 29.97 6.50019 0.00414267 -0.0111746 0.0134857 33
9833 169 H 38.8509 29.2381 5.39684 -0.00654088 -0.00439814 0.0184061 33
9834 170 H 39.4303 30.7972 5.61309 -0.00167698 -0.00283574 0.0155593 33
9835 171 H 37.7299 31.5933 3.82117 0.00836352 -0.00027922 -0.00938512 33
9836 172 H 36.9218 30.0163 3.98603 0.00165223 -0.00134138 -0.0190815 33
9837 173 H 38.922 28.9346 3.02066 -0.00345708 -0.000918402 0.00135132 33
9838 174 H 39.811 30.4291 2.99663 -0.00117184 -0.00263753 -0.00637409 33
9839 175 H 38.1382 31.3294 1.34723 -0.0119096 0.00066945 0.0115251 33
9840 176 H 37.2615 29.7641 1.46474 0.00346759 -0.00114235 0.00718013 33
9841 177 H 38.9274 29.8203 0.785139 0.00840156 0.00658999 0.00522102 33
9842 178 H 37.0552 26.5045 15.3547 -0.00496049 -0.00536435 -0.00230295 33
9843 179 H 35.452 26.4105 14.6997 -0.003665 -0.000351256 -0.000248483 33
9844 180 H 36.1789 27.6888 12.624 0.00834352 0.0054583 -0.00308099 33
9845 181 H 37.8066 27.8436 13.3409 0.00167426 -0.00647601 -0.00116166 33
9846 182 H 38.1403 25.4583 13.4398 -0.0104365 -0.00197134 0.010709 33
9847 183 H 36.5472 25.1498 12.7846 -0.00211121 -0.00321308 -0.00534035 33
9848 184 H 37.0478 26.2262 10.6195 0.00222228 -0.0117733 -0.00734829 33
9849 185 H 38.5738 26.7328 11.2028 -0.0036099 0.00388565 -0.00508494 33
9850 186 H 39.1428 24.1947 11.625 -0.00718101 0.00519377 0.0126105 33
9851 187 H 37.6037 23.837 10.8443 0.000956833 -0.00341791 0.0139991 33
9852 188 H 39.9727 25.3574 9.55658 0.00453038 -0.00489381 -0.000943603 33
9853 189 H 39.6018 23.6984 9.26705 0.00228177 0.00707199 -0.00319803 33
9854 190 H 38.6286 24.3814 7.39157 0.0133307 0.0097464 -0.000922285 33
9855 191 H 37.2594 24.5149 8.47099 -0.00313123 0.013861 -0.00720218 33
9856 192 H 37.4351 26.9472 8.54403 0.00124915 0.00751428 -0.00449273 33
9857 193 H 39.0955 26.8893 7.86875 0.00514546 -0.0113134 0.00824208 33
9858 194 H 36.7516 25.8034 6.37977 -0.00236677 0.00217793 -0.00383563 33
9859 195 H 37.1348 27.5624 6.23313 0.00396992 0.00240632 -0.0013011 33
9860 196 H 39.3719 27.0401 5.34679 -0.00238925 -0.00394686 0.0147223 33
9861 197 H 39.1013 25.2983 5.4004 -0.0120571 -0.00840217 0.00869054 33
9862 198 H 37.1454 25.5711 3.82336 0.00746488 -0.0101415 -4.00567e-05 33
9863 199 H 37.5656 27.2614 3.58407 -0.00170344 -0.00107369 0.0044851 33
9864 200 H 38.5206 25.6999 1.8634 -0.0118114 0.00436389 0.00632967 33
9865 201 H 39.6985 26.7385 2.68434 0.0030926 -0.00146501 0.00328801 33
9866 202 H 39.5626 25.0038 3.08349 0.00326173 0.00050085 -0.000589137 33
9867 203 H 34.7039 31.3313 14.2691 0.00130884 0.00324842 0.0078596 33
9868 204 H 33.5845 32.7107 14.6866 0.00160456 -0.00216596 0.00711801 33
9869 205 H 34.5093 34.1454 13.0772 -0.0045553 -0.00134564 -0.00614822 33
9870 206 H 35.9224 33.1412 12.8474 -0.00167904 -0.00292781 -0.00930958 33
9871 207 H 34.401 31.3792 11.8422 0.0047169 0.00151555 -0.00180822 33
9872 208 H 33.005 32.4588 12.0691 -0.00129774 0.0159893 -0.0119281 33
9873 209 H 33.8884 34.0921 10.5768 0.00265638 -0.00269328 0.0101541 33
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9929 265 H 32.2667 35.0771 41.5273 0.00067269 0.000498716 0.00793137 33
9930 266 H 33.5915 33.968 41.1803 -0.00263551 0.00588045 -0.0191078 33
9931 267 H 35.1265 35.2424 42.529 0.00102299 0.00463697 0.0147345 33
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9933 269 H 32.5211 35.4733 44.1142 -0.00329825 0.00540735 -0.00324472 33
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9935 271 H 35.4286 35.4807 45.1037 -2.96654e-06 0.0057179 0.00892032 33
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9938 274 H 32.6972 36.0317 46.4555 0.000262717 0.00732014 0.00790385 33
9939 275 H 33.4197 33.5751 46.4353 0.00567455 -0.014235 0.0140497 33
9940 276 H 34.8702 34.0384 47.4038 0.00774463 0.0171254 8.39249e-05 33
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9947 283 H 32.1003 25.5928 36.6214 -0.00043427 0.00992691 0.00947003 33
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9950 286 H 33.8994 24.4707 38.7106 0.00512776 0.00501526 0.00265518 33
9951 287 H 32.4183 25.2827 39.1153 0.000550375 -0.00707024 -0.010257 33
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9954 290 H 33.7636 24.2287 41.3886 0.00529076 -0.00281917 0.00405513 33
9955 291 H 32.4593 25.4616 41.574 0.00300777 0.00826145 -0.0058367 33
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9969 3 C 36.9066 39.3034 28.4396 -0.00193112 0.000458398 0.00362303 34
9970 4 C 36.1962 38.2603 29.146 -0.00106734 0.00112707 0.00267919 34
9971 5 C 36.0678 38.3404 30.5741 -0.00292344 -0.0027364 -0.000290277 34
9972 6 C 36.5387 39.4701 31.2537 0.00278116 -0.00328351 -0.0011697 34
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9979 13 C 37.1413 33.7825 30.8477 -0.00155886 -0.00579867 -0.000394288 34
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9983 17 C 35.5605 37.0147 28.5006 -0.00429653 -0.00154873 0.00259627 34
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9986 20 O 36.2632 39.636 32.603 0.00332845 0.00269962 -0.00154399 34
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9997 31 C 40.1245 37.5163 20.2273 -0.00656458 -0.00302616 -0.00121784 34
9998 32 C 38.269 34.2906 18.0055 0.000501649 0.00165376 0.00220361 34
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10014 48 C 40.2038 38.7171 16.6662 -0.00191972 -0.00116249 0.000670224 34
10015 49 C 40.7198 37.3796 16.1504 -0.00210407 0.00251549 -0.000491303 34
10016 50 C 39.8958 38.7235 18.0278 0.00041265 0.000478738 0.00499798 34
10017 51 C 39.444 39.9074 18.6808 0.00130807 -0.00545218 -0.00175809 34
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10022 56 C 36.0351 35.8948 30.7097 -0.00559085 0.00141291 -0.00183518 34
10023 57 C 42.8709 36.0043 13.9937 0.00279116 -0.000596617 0.00186646 34
10024 58 C 42.1145 36.8344 12.9285 -0.00236077 -0.00177781 -0.000850548 34
10025 59 C 42.6101 36.5872 11.482 0.00144871 0.00314219 -0.000474726 34
10026 60 C 41.7137 37.2816 10.445 0.000247033 0.000783644 0.00123548 34
10027 61 C 42.3954 37.3662 9.07561 0.000827047 0.00207501 -0.0031405 34
10028 62 C 41.602 38.1998 8.0207 -0.00109917 0.00226746 -0.000322577 34
10029 63 C 42.2277 38.1866 6.61832 -0.000452506 -0.000751632 -0.00424592 34
10030 64 C 41.5871 37.1918 5.62438 0.00258095 0.0011548 3.23078e-05 34
10031 65 C 42.2688 37.0613 4.2541 0.00158406 -0.000292484 0.00263133 34
10032 66 C 42.1305 38.3235 3.34723 -0.000714557 -0.000884069 0.00208092 34
10033 67 C 42.5535 38.0794 1.89066 -0.00305219 -0.00379288 0.00323165 34
10034 68 C 41.5776 37.208 1.04377 0.00202411 -0.00605998 -0.0032432 34
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10036 70 C 38.9617 34.1951 13.74 0.00133241 -0.00056549 0.00307827 34
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10038 72 C 38.5968 33.6142 11.2929 0.0028201 0.000983705 -0.00254111 34
10039 73 C 39.1143 33.8513 9.89749 0.00102188 -0.00475288 -0.00188516 34
10040 74 C 38.5879 34.9703 9.05856 -0.0003833 0.00206741 0.000817902 34
10041 75 C 38.0627 34.3925 7.72001 0.00063046 0.00217909 -0.007063 34
10042 76 C 38.2357 35.3098 6.51909 0.000559757 -0.000161323 -0.00596247 34
10043 77 C 37.8157 34.5039 5.25 0.000839668 0.000367581 0.00225336 34
10044 78 C 38.3457 35.1715 4.00782 -0.00282351 0.00138532 0.00317008 34
10045 79 C 38.2583 34.2171 2.76606 -0.00150933 -0.00344848 -0.000245462 34
10046 80 C 38.5882 34.8713 1.39363 0.00179997 0.00182648 0.000192711 34
10047 81 C 38.5636 33.8647 0.21092 -0.00147443 0.00224078 0.00229287 34
10048 82 C 41.1385 41.1298 14.0017 -0.00224025 -0.00518577 -0.00290891 34
10049 83 C 41.6562 40.6936 12.5759 0.00177006 0.00180772 -0.00233116 34
10050 84 C 42.0926 41.8598 11.6541 0.00175962 -0.00111682 -0.00153507 34
10051 85 C 42.1413 41.4003 10.1854 0.000754902 0.000901168 -0.00407396 34
10052 86 C 43.0689 42.2636 9.37844 0.00249082 0.00329991 0.00166561 34
10053 87 C 42.9423 42.0087 7.84217 0.00270131 0.000335758 0.00380559 34
10054 88 C 41.6915 42.6883 7.17551 -0.00106924 -0.00503264 -0.00075158 34
10055 89 C 41.9883 43.2897 5.80308 -0.00268263 0.000431482 0.00336498 34
10056 90 C 42.1527 42.2636 4.65348 -0.000648281 0.00500586 0.00220296 34
10057 91 C 42.1745 43.0057 3.30982 0.00126075 0.00136011 -0.00320599 34
10058 92 C 42.4176 42.1005 2.06188 -0.00355233 0.00170874 -0.0020927 34
10059 93 C 41.1505 41.3563 1.61773 -0.00167591 0.000591341 -0.000121367 34
10060 94 C 31.2664 37.0611 32.9443 -0.00136035 -0.00259541 -0.000895744 34
10061 95 C 31.1856 37.7167 34.3174 0.00167526 -0.00206012 -0.00637928 34
10062 96 C 29.9834 37.2749 35.1309 -0.00449816 -0.0017415 0.0056427 34
10063 97 C 29.9401 37.7848 36.5911 0.00260826 -0.00340084 -0.000336087 34
10064 98 C 29.9508 36.6789 37.653 -0.000335283 0.000114026 -0.000326965 34
10065 99 C 30.3191 37.1405 39.0713 -0.000656098 0.000828906 -0.000515752 34
10066 100 C 29.2687 38.0164 39.7539 -0.00480715 0.00138611 -0.000540677 34
10067 101 C 29.5662 38.2529 41.2251 0.00120463 0.000173184 -0.00134749 34
10068 102 C 29.1116 37.0639 42.0937 0.00125989 -0.00111315 -0.00186085 34
10069 103 C 29.8925 36.929 43.4111 4.75482e-05 -0.000206297 -0.00261425 34
10070 104 C 29.5584 37.9979 44.4146 0.000371294 -0.000267407 -5.07051e-05 34
10071 105 C 30.1648 37.7063 45.7918 0.00252431 0.000842473 -0.000332 34
10072 106 C 36.7926 40.7714 33.2713 0.000895679 -0.0017163 0.00209584 34
10073 107 C 36.7747 40.7229 34.7803 -0.00133137 0.00502349 0.00276682 34
10074 108 C 36.8622 42.1448 35.3738 -0.00146155 -0.000841323 -0.00192706 34
10075 109 C 36.5155 42.3254 36.8213 0.00146413 -0.000665343 -0.00531628 34
10076 110 C 37.52 41.948 37.898 -0.00158998 -0.00274353 0.00172711 34
10077 111 C 37.1144 42.3899 39.3465 -0.00115549 0.00385157 0.00306789 34
10078 112 C 38.2216 41.957 40.354 -0.00105526 -0.00062077 0.00260405 34
10079 113 C 38.0485 42.4116 41.8157 2.97357e-05 0.00108802 -0.00257195 34
10080 114 C 36.771 41.9117 42.5505 -0.00182293 0.00221461 -0.00105183 34
10081 115 C 36.6944 42.3224 44.0383 -0.00103625 -0.00107466 -0.00336615 34
10082 116 C 37.4625 41.4561 45.0631 -7.70737e-05 0.00308966 -0.000447866 34
10083 117 C 37.059 41.8475 46.4727 -6.4901e-05 0.00447109 0.000985843 34
10084 118 C 37.0921 33.7985 33.6248 -0.00253791 5.70438e-05 0.00419844 34
10085 119 C 36.8383 33.7312 35.1427 -0.000198041 -0.00284471 -0.00145666 34
10086 120 C 37.7234 32.7181 35.8651 0.000543687 0.0018214 0.00584989 34
10087 121 C 37.9433 32.9845 37.3782 -0.00493531 0.000466695 -0.00415963 34
10088 122 C 36.6714 33.3297 38.2301 0.00493994 0.00156037 0.00173696 34
10089 123 C 36.9219 33.6276 39.7229 -0.00205364 0.00117795 -0.000497942 34
10090 124 C 36.8975 32.2868 40.5614 0.00105504 -0.000779592 -0.000485814 34
10091 125 C 37.686 32.334 41.8578 -0.00399885 0.000374466 -0.00276308 34
10092 126 C 37.0463 33.0378 43.0136 -0.000294036 -0.000808543 -0.00282314 34
10093 127 C 37.7093 32.6398 44.3468 -0.00144611 -0.00338664 0.00336676 34
10094 128 C 37.1891 33.4463 45.515 0.00359254 -0.00236977 -0.000108312 34
10095 129 C 37.9782 33.0469 46.7831 0.00151415 0.0037147 0.00136431 34
10096 130 F 37.5713 34.6866 24.6533 0.00331074 0.0013855 0.00096595 34
10097 131 H 37.5265 41.4277 30.9654 -0.00751994 0.000991603 0.0200779 34
10098 132 H 37.9209 41.1666 28.5951 0.0061451 -0.00189999 -0.00509772 34
10099 133 H 37.0974 39.2867 27.3706 -0.00872852 -0.00153838 0.00244674 34
10100 134 H 30.5416 37.6454 30.4287 -0.000558986 -0.000223681 -0.00720371 34
10101 135 H 30.8537 37.3378 28.0338 -0.00639827 -0.00531268 0.00859739 34
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10105 139 H 36.9832 34.7031 27.5865 -0.0174259 0.0197622 -0.00796384 34
10106 140 H 38.4857 39.474 22.7154 -0.00662225 0.00646004 0.0155957 34
10107 141 H 36.951 39.2139 24.6809 0.0133991 0.00645813 -0.00507963 34
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10115 149 H 39.9552 42.0336 16.0832 -0.00916392 0.000750432 -0.00669149 34
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10117 151 H 39.2298 39.8388 19.7432 0.000390269 0.021588 -0.000310549 34
10118 152 H 35.1839 37.1549 32.2745 0.00441524 0.00594766 0.00425103 34
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10120 154 H 42.1547 35.3927 14.5563 0.00406894 0.0116665 0.0168646 34
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10123 157 H 42.6596 35.5153 11.2539 0.00264697 0.00394471 -0.00399672 34
10124 158 H 43.634 36.9709 11.3938 0.00372558 -0.00567694 -0.0123508 34
10125 159 H 41.4778 38.305 10.7619 0.00428455 0.00126498 0.0026731 34
10126 160 H 40.7498 36.7577 10.4416 0.00286172 -0.00408642 0.00712284 34
10127 161 H 42.588 36.3603 8.68271 -0.0134281 0.00338106 -0.0134815 34
10128 162 H 43.3661 37.8499 9.24081 0.00755179 -0.0130877 0.00165488 34
10129 163 H 41.5033 39.2419 8.34878 0.0041826 0.00129722 0.00434643 34
10130 164 H 40.5886 37.7797 8.02227 0.000371891 -0.00128272 5.00934e-05 34
10131 165 H 43.3186 38.071 6.62928 -0.00261221 -0.0193967 0.00732414 34
10132 166 H 42.1193 39.161 6.12603 -0.00890117 -0.00129731 -0.00343227 34
10133 167 H 40.5062 37.3099 5.47925 0.00186205 -0.00415581 0.000973047 34
10134 168 H 41.6599 36.213 6.11453 0.00132738 0.0039373 0.00578262 34
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10136 170 H 43.3423 36.889 4.40052 0.000570661 -0.0044545 0.00511731 34
10137 171 H 42.7357 39.1585 3.72123 0.0116322 -0.00723546 -0.00368544 34
10138 172 H 41.0804 38.6397 3.32245 -0.00204689 -0.00498127 0.00629415 34
10139 173 H 43.5425 37.605 1.88545 -0.00975151 -0.0177767 0.00477399 34
10140 174 H 42.7013 39.0368 1.37593 -0.0077299 -0.0032604 0.00288478 34
10141 175 H 41.6822 36.155 1.33295 0.0119747 -0.00370915 0.00173244 34
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10143 177 H 40.5553 37.5443 1.25628 0.00754153 0.00870915 1.38803e-05 34
10144 178 H 39.6742 33.3895 13.9564 -0.00118189 -0.00530053 -0.00625637 34
10145 179 H 37.9373 33.8281 13.8793 0.00151124 -0.00307275 -0.00219512 34
10146 180 H 38.7015 35.6194 12.0555 -0.00388962 -0.000832974 -0.0132691 34
10147 181 H 40.2341 34.7588 12.0367 -0.000220805 0.00203587 -0.00774738 34
10148 182 H 38.9448 32.6206 11.6013 0.00702701 -0.00177814 -0.0162021 34
10149 183 H 37.5053 33.6511 11.3962 0.00251496 -0.00892137 -0.00229679 34
10150 184 H 40.2055 33.9575 9.93627 0.000454638 0.00559455 -0.0142873 34
10151 185 H 39.0081 32.8767 9.40531 -0.0272713 0.00535594 -0.0156876 34
10152 186 H 37.8223 35.4794 9.65693 0.00466645 -0.00784061 0.0157728 34
10153 187 H 39.3675 35.7225 8.88591 -0.00561726 0.0062911 -0.00443924 34
10154 188 H 38.5325 33.4324 7.47312 0.00194868 0.00350865 -0.00972116 34
10155 189 H 36.9995 34.1668 7.86869 0.00640241 -0.0190984 0.00194791 34
10156 190 H 37.6871 36.2451 6.68561 -0.00623914 -0.00652006 0.00749514 34
10157 191 H 39.3091 35.5199 6.43458 -0.000416804 0.00864261 0.00375423 34
10158 192 H 38.1735 33.467 5.26702 0.00153114 0.000531385 -0.00218627 34
10159 193 H 36.7192 34.4687 5.24409 0.000997856 -0.00274751 -0.0060752 34
10160 194 H 37.7195 36.061 3.86623 -0.00315863 0.00110766 0.00290665 34
10161 195 H 39.3915 35.4863 4.11169 -0.00269227 0.00425897 -0.00673142 34
10162 196 H 38.9082 33.3558 2.96375 0.0169623 0.0122033 0.00721893 34
10163 197 H 37.2348 33.8226 2.75057 0.00232341 -0.0126519 -0.0174349 34
10164 198 H 37.8338 35.6438 1.19947 -0.00150133 -0.0019321 -0.00192471 34
10165 199 H 39.5711 35.3519 1.47337 0.00658505 -0.0101323 0.0134841 34
10166 200 H 38.6208 34.293 -0.797389 0.0216788 0.0124553 0.00797281 34
10167 201 H 39.3938 33.1478 0.224827 -0.00217439 0.00157998 0.00902482 34
10168 202 H 37.6472 33.2618 0.204444 -0.00330166 0.00502644 0.00210571 34
10169 203 H 40.2536 41.7627 13.8609 0.000712341 -0.000935001 -0.002404 34
10170 204 H 41.9071 41.7208 14.5149 -0.00607308 0.00110394 -0.00440119 34
10171 205 H 42.4896 39.9907 12.6977 -0.00389875 -0.00523733 -0.0042136 34
10172 206 H 40.8366 40.1235 12.1213 0.00270184 -0.00196617 0.000710884 34
10173 207 H 41.3492 42.6525 11.8034 -0.00859453 -0.00878686 -0.0124838 34
10174 208 H 43.022 42.3013 12.0344 0.00163455 -0.00263808 0.000543075 34
10175 209 H 42.4542 40.3534 10.0883 -0.00364118 -0.000248659 -0.00589544 34
10176 210 H 41.1301 41.4434 9.76222 0.00599404 -0.0107926 -0.0177996 34
10177 211 H 42.9325 43.3192 9.64381 -0.0115981 0.00456328 -0.0106656 34
10178 212 H 44.1091 42.0265 9.63412 0.00289268 -0.00234187 -0.00516339 34
10179 213 H 43.8375 42.4553 7.39219 0.00369095 -0.0079127 -0.00237017 34
10180 214 H 42.9318 40.9311 7.63715 0.00409487 6.57684e-06 0.00546419 34
10181 215 H 40.8758 41.9632 7.06472 -0.00521836 0.00148742 -0.0129743 34
10182 216 H 41.309 43.5109 7.79236 -0.00530676 -0.00392495 -0.00485175 34
10183 217 H 41.1348 43.9345 5.55983 -0.0010423 0.00181153 0.00127595 34
10184 218 H 42.8868 43.9187 5.82439 -0.00731356 0.00704636 0.00304442 34
10185 219 H 43.1205 41.759 4.76388 -0.00267087 0.00220813 0.00709097 34
10186 220 H 41.3561 41.5095 4.66101 0.00493388 -0.000823774 0.00897373 34
10187 221 H 41.2264 43.545 3.19302 0.00810833 0.0139035 -0.000700158 34
10188 222 H 43.0084 43.7185 3.30066 0.00742845 -0.00585859 -0.00606293 34
10189 223 H 42.8273 42.7341 1.26557 -0.0023673 -0.000734111 -0.00342422 34
10190 224 H 43.2051 41.3846 2.32773 -0.00890217 0.00150625 0.0132899 34
10191 225 H 40.3678 42.0734 1.34114 0.00419386 0.0061702 -0.00225451 34
10192 226 H 41.3406 40.7847 0.70091 -0.00573159 0.00110093 -0.00128339 34
10193 227 H 40.6795 40.7032 2.36274 0.0153462 0.00172939 0.0115707 34
10194 228 H 30.3932 37.3249 32.335 -0.00951516 -0.00751638 0.00870781 34
10195 229 H 31.2474 35.9687 33.0433 -0.00214017 -0.00289212 -0.00431727 34
10196 230 H 32.0971 37.5489 34.9041 -0.00409147 -0.0105727 0.000157164 34
10197 231 H 31.0776 38.788 34.1073 0.0067359 0.00187018 0.0111749 34
10198 232 H 29.0335 37.4183 34.6012 -0.00920982 -0.00339739 0.0136441 34
10199 233 H 30.113 36.1871 35.1884 0.00449712 -0.000694203 0.00529718 34
10200 234 H 30.7617 38.4776 36.8112 0.00068489 -0.0026015 0.00435621 34
10201 235 H 29.0047 38.3172 36.8033 0.00342691 5.30676e-05 -0.00544993 34
10202 236 H 28.9816 36.1655 37.6316 -0.00683046 0.0125571 -0.00414557 34
10203 237 H 30.6646 35.9047 37.3456 0.0140555 0.0124346 0.00208344 34
10204 238 H 30.4843 36.2664 39.7133 -0.00735402 -0.00230339 -0.00307079 34
10205 239 H 31.2865 37.6576 39.0848 -0.000892289 0.00140087 -0.00605033 34
10206 240 H 29.3279 38.9805 39.2338 0.00371403 0.000578742 -0.0010947 34
10207 241 H 28.2726 37.5933 39.5749 -0.00172875 -0.00302772 -0.00730784 34
10208 242 H 30.6173 38.521 41.3884 -0.000465732 0.00723513 -0.00211559 34
10209 243 H 29.0547 39.1616 41.5656 0.0027812 0.00387207 -0.00884884 34
10210 244 H 28.0421 37.1546 42.3204 -0.00194056 -0.00646789 -0.0148757 34
10211 245 H 29.2471 36.1419 41.5149 -0.00687135 0.000994904 -0.00712865 34
10212 246 H 29.7454 35.939 43.8601 -0.00612999 -0.00420232 -0.0134766 34
10213 247 H 30.9725 36.9663 43.222 0.00215628 -0.0202694 0.0053969 34
10214 248 H 29.9419 38.9437 44.0124 0.00574157 0.0028209 0.0123479 34
10215 249 H 28.4719 38.1102 44.5157 7.10416e-05 -0.00295696 -0.000308024 34
10216 250 H 29.8528 38.522 46.4557 -0.00111047 0.00493019 -0.00704372 34
10217 251 H 29.819 36.756 46.2168 -0.00392672 0.00226174 -0.00241162 34
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10220 254 H 36.2103 41.6152 32.8811 0.00312758 0.00377312 0.0106828 34
10221 255 H 35.8522 40.2596 35.1514 0.000546522 -0.00211366 -0.00151088 34
10222 256 H 37.6039 40.0921 35.1237 -0.00954013 -0.00420878 0.00565978 34
10223 257 H 37.8273 42.5954 35.1115 -0.00510607 0.00251895 -0.00959505 34
10224 258 H 36.1197 42.7192 34.8062 -0.00139539 0.00531752 0.00421964 34
10225 259 H 36.2771 43.3877 36.956 -0.00417722 -0.00204486 -0.00442086 34
10226 260 H 35.6191 41.7311 37.0375 0.0160964 -0.0195641 0.00358856 34
10227 261 H 37.6267 40.8624 37.7813 0.0161325 0.000367969 -0.0111385 34
10228 262 H 38.4676 42.4286 37.625 8.15396e-05 -0.0119048 -0.00864052 34
10229 263 H 36.9704 43.4744 39.4271 0.00276431 0.00381833 0.0105783 34
10230 264 H 36.1102 41.9997 39.553 -0.00199125 -0.00052443 -0.00920723 34
10231 265 H 38.2917 40.8624 40.3338 -0.00208504 -0.000619918 -0.00107062 34
10232 266 H 39.2141 42.3412 40.0881 0.00612067 -0.0174622 0.00498171 34
10233 267 H 38.9013 42.0836 42.4228 -0.00623281 -0.00270183 0.00420596 34
10234 268 H 38.0007 43.4999 41.9448 0.0110861 0.00318751 -0.0167486 34
10235 269 H 35.896 42.2508 41.9823 -0.00767174 -0.00588669 0.00310877 34
10236 270 H 36.7058 40.8209 42.4548 -0.00118342 0.00214893 -0.000731137 34
10237 271 H 36.9375 43.3883 44.1287 -0.0020371 5.07297e-06 -0.013286 34
10238 272 H 35.633 42.2287 44.2989 0.00132746 0.00128592 0.00708307 34
10239 273 H 37.1456 40.4212 44.8846 0.00507253 0.00155533 -0.00066105 34
10240 274 H 38.5515 41.5421 44.9629 -0.000589184 -0.00339691 -0.0114516 34
10241 275 H 37.6397 41.2545 47.1899 0.0142454 0.000162048 -0.0141447 34
10242 276 H 37.2656 42.9113 46.6433 -0.00671583 0.00584784 0.000459604 34
10243 277 H 35.9878 41.6958 46.6539 -0.00135553 -0.00699444 -0.0162584 34
10244 278 H 36.8739 32.8081 33.2064 -0.00356264 -0.000707559 0.00654916 34
10245 279 H 38.1684 33.9828 33.5197 -0.00489827 0.00941997 -0.00321982 34
10246 280 H 35.7916 33.4251 35.2613 0.00019469 -0.00412812 -0.00130002 34
10247 281 H 36.9826 34.7312 35.5701 -0.0107038 -0.00490621 0.00690435 34
10248 282 H 38.7175 32.6448 35.407 -0.00391058 -0.00656436 -0.00244849 34
10249 283 H 37.2646 31.7288 35.7457 0.0142286 -0.00367383 -0.00113206 34
10250 284 H 38.6144 33.848 37.4646 -0.0138377 0.00771451 -0.00731594 34
10251 285 H 38.4709 32.1303 37.8202 0.00100017 0.0113683 0.00984796 34
10252 286 H 35.9588 32.4966 38.1917 -0.00689656 0.0119148 -0.0036235 34
10253 287 H 36.1367 34.1458 37.7286 0.00741343 0.00489612 0.00453647 34
10254 288 H 36.2287 34.3564 40.161 -0.00391117 0.010532 -0.0190468 34
10255 289 H 37.8972 34.1262 39.7821 -0.00117093 -0.00269771 0.0172892 34
10256 290 H 37.312 31.4507 39.9848 -0.0157979 -0.00667846 -0.00404742 34
10257 291 H 35.8671 32.0064 40.8124 -0.00163059 0.00882593 -0.00078641 34
10258 292 H 38.6555 32.7906 41.6233 -0.000372672 -0.00341899 0.00487749 34
10259 293 H 37.9278 31.3033 42.1452 0.0150491 0.00657257 0.00349798 34
10260 294 H 35.9783 32.808 43.113 0.00350626 -0.0164081 0.00176589 34
10261 295 H 37.0556 34.1251 42.8685 -0.00288074 -0.00150602 -0.00822601 34
10262 296 H 38.8035 32.6989 44.2951 -0.000311025 -0.0126259 0.0164302 34
10263 297 H 37.488 31.5814 44.5316 0.00919532 -0.00529623 0.0051717 34
10264 298 H 36.1038 33.3524 45.6442 0.00293633 0.000591526 -0.00343007 34
10265 299 H 37.3742 34.4991 45.2687 -0.0130839 0.00150048 0.00389368 34
10266 300 H 37.7235 33.7437 47.5912 0.008971 -0.00125181 0.00797986 34
10267 301 H 39.0575 33.1216 46.6017 0.00114673 0.0114437 0.00235137 34
10268 302 H 37.758 32.0059 47.05 -0.0103379 0.00377592 -0.0081616 34
10269 1 C 40.9256 33.8349 31.2117 0.00470392 -0.000817375 0.00218043 35
10270 2 C 41.1001 33.6727 29.835 0.00215859 0.00172197 -0.00309645 35
10271 3 C 40.6764 32.5281 29.1899 0.00363 0.000346229 0.000595788 35
10272 4 C 40.0053 31.5193 29.89 -0.000174166 -0.00138236 0.00279389 35
10273 5 C 39.817 31.6327 31.2932 0.00252182 -0.00508627 -0.00069417 35
10274 6 C 40.3221 32.7987 31.9781 -0.00134356 4.96462e-05 0.00225714 35
10275 7 C 35.3965 30.5457 30.6516 0.0021325 -0.00263556 -0.00383179 35
10276 8 C 35.6064 30.5069 29.2665 -0.00518888 -0.000733165 0.00124209 35
10277 9 C 36.9163 30.2998 28.7826 -0.000116912 0.00361829 -0.00149191 35
10278 10 C 37.9741 30.2989 29.6795 0.00173317 -0.00183814 0.00225869 35
10279 11 C 37.7399 30.3884 31.0812 -0.00400533 0.000407161 -0.000332656 35
10280 12 C 36.4485 30.5003 31.591 -0.000284595 -0.00138893 0.00116173 35
10281 13 C 40.9922 26.9913 31.5231 0.000496146 -0.00142941 -0.00133689 35
10282 14 C 41.2134 27.0135 30.143 0.0047686 0.00148419 -0.00207373 35
10283 15 C 40.6563 28.0248 29.405 0.00107819 -0.00339412 0.00472993 35
10284 16 C 39.9893 29.0755 30.0305 0.00483539 0.00127338 0.0012562 35
10285 17 C 39.4299 30.263 29.2591 -0.00167047 -0.00101267 -0.000309677 35
10286 18 O 40.276 27.9878 33.5738 0.00147838 -0.000579228 0.00198979 35
10287 19 O 36.1495 30.5142 32.9786 0.00132401 -0.00266922 0.00270161 35
10288 20 O 40.2151 32.9638 33.3475 -0.00136683 -0.00369993 0.00473097 35
10289 21 C 40.3585 28.0376 32.1993 -0.000903255 -0.00164144 0.000764791 35
10290 22 C 39.7525 30.2121 27.815 -0.00327348 0.00169652 0.0018783 35
10291 23 C 40.2625 30.2186 26.7214 0.00407297 0.00351576 -0.000675129 35
10292 24 C 41.0214 30.2865 25.5016 -0.00346626 -0.00182529 0.00289038 35
10293 25 C 40.6806 31.1524 24.4587 0.00212674 0.00210318 0.00239692 35
10294 26 C 41.4853 31.2535 23.3194 0.00222853 0.0011554 0.00199842 35
10295 27 C 42.6934 30.5298 23.2224 -0.0003748 0.00334494 -0.000304811 35
10296 28 C 43.0913 29.7365 24.3194 0.00172392 0.000623532 -0.0040432 35
10297 29 C 42.2909 29.6467 25.4657 0.00254295 0.000515705 0.00139273 35
10298 30 C 43.4522 30.5836 22.0212 -0.00165457 -0.00295535 0.000714699 35
10299 31 C 43.897 30.6195 20.8962 -0.000615419 -0.00552844 0.00276939 35
10300 32 C 42.5978 27.1875 18.634 -0.00210052 0.000488404 -0.00440637 35
10301 33 C 42.7784 27.1524 17.2499 -0.00107763 0.0027589 0.00203116 35
10302 34 C 43.3475 28.2678 16.5733 -0.00175011 0.00064484 -0.00162293 35
10303 35 C 43.7138 29.4142 17.3096 0.00155632 -4.02444e-05 -0.00109829 35
10304 36 C 43.5868 29.4117 18.7074 0.00368961 0.000154226 0.00062224 35
10305 37 C 43.0041 28.3307 19.3477 0.000379839 -0.00125401 -0.00318209 35
10306 38 C 44.1754 30.6296 19.4227 -0.000176219 0.00107527 0.00330447 35
10307 39 C 48.0502 30.7905 19.0709 -0.00223308 -0.000360774 0.00263323 35
10308 40 C 48.1187 31.0091 17.7263 -0.00333042 -0.000681297 -0.00110604 35
10309 41 C 46.9859 31.0178 16.9199 0.000225562 -0.00207373 -0.0028503 35
10310 42 C 45.7387 30.7899 17.5351 0.00123972 -0.00322676 0.00271637 35
10311 43 C 45.6325 30.6741 18.928 3.80671e-05 -0.00150996 -0.000463453 35
10312 44 C 46.7956 30.6827 19.7195 0.00300579 -0.00149972 -0.00228602 35
10313 45 C 42.1848 33.9426 18.5879 -0.00048536 -0.00408843 0.00131253 35
10314 46 C 42.2788 33.8802 17.1958 -0.00402031 0.000662526 0.000824396 35
10315 47 C 43.0338 32.8611 16.5886 -0.00406731 -0.000603389 -0.00227639 35
10316 48 C 43.6425 31.8529 17.341 0.00209661 -0.000468758 0.000417237 35
10317 49 C 44.4091 30.6744 16.7851 0.00207392 -0.00360597 0.00515836 35
10318 50 C 43.4991 31.8408 18.7566 -0.000602236 -0.00103217 0.000947814 35
10319 51 C 42.813 32.9404 19.3525 -0.00108006 -0.00367486 -0.000222634 35
10320 52 O 47.0582 31.49 15.6654 -0.00243891 -0.00140114 7.85441e-06 35
10321 53 O 43.5 28.2784 15.2179 -0.000762514 -0.00106536 -0.000956907 35
10322 54 O 43.2409 32.9927 15.2283 -0.00241872 0.00164399 -0.0020867 35
10323 55 C 39.0288 30.4357 31.881 0.000635779 -0.00230152 -0.000971497 35
10324 56 C 39.8138 29.1399 31.4394 -0.00194797 -0.00225432 0.00194159 35
10325 57 C 46.9008 30.6287 14.5049 -0.00182808 0.00233412 0.000347808 35
10326 58 C 46.6464 31.482 13.2476 0.00301936 -0.00404492 0.00196843 35
10327 59 C 46.431 30.6435 11.9624 -0.00402382 0.000284471 -0.00370395 35
10328 60 C 46.3986 31.4489 10.64 0.00130469 -0.000999575 0.00489305 35
10329 61 C 46.4394 30.5231 9.40974 0.00181684 0.00103058 -0.00100278 35
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10331 63 C 46.3049 30.2387 6.80182 -0.000150784 0.00180658 0.000209612 35
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10336 68 C 46.7156 31.4439 0.700157 0.00100685 0.000106182 0.00472702 35
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10365 97 C 32.8453 30.4575 36.9889 0.00308182 0.00149964 0.0059412 35
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10370 102 C 33.8268 30.8873 42.6287 0.00393126 0.000887197 0.00108694 35
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10379 111 C 42.0308 35.5657 39.5747 -0.00370651 0.00463849 0.00143172 35
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10382 114 C 41.2685 35.5396 42.6337 -0.000657764 0.000905185 0.00406603 35
10383 115 C 40.8652 34.8759 43.9611 0.00416307 -0.00109351 4.36395e-05 35
10384 116 C 41.4623 35.6357 45.1957 -0.00430937 0.00256128 -0.00123157 35
10385 117 C 41.122 35.0582 46.5608 -0.000472962 -0.00121271 -0.00249474 35
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10387 119 C 40.3058 26.8759 35.8446 -0.000278499 0.000801938 0.0040992 35
10388 120 C 41.4421 26.2584 36.6968 -0.000677044 -0.000680328 -0.00137235 35
10389 121 C 41.2008 26.2639 38.2519 0.00148146 -0.000940857 -0.00716631 35
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10391 123 C 42.4246 26.0592 40.5359 0.000535154 -0.0011608 0.000237916 35
10392 124 C 41.3614 25.2894 41.3171 -0.00188691 0.000347112 0.000920863 35
10393 125 C 41.6437 25.2062 42.8305 0.00128771 -0.00107019 0.00146481 35
10394 126 C 41.5574 26.5873 43.5485 0.00175453 0.00236231 0.00188337 35
10395 127 C 41.4222 26.5516 45.0723 0.000209337 -0.000361022 -0.00289238 35
10396 128 C 42.3982 25.5897 45.744 0.00206107 0.00266498 -0.00243229 35
10397 129 C 42.2973 25.6039 47.2868 0.00227053 0.00408898 5.06782e-05 35
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10475 207 H 43.1286 30.55 11.5204 -0.00090309 0.00377033 -0.00621163 35
10476 208 H 41.4586 30.9544 11.8336 -0.00393023 0.00272956 0.00345394 35
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10484 216 H 42.4746 34.4283 6.8748 0.0251625 -0.011375 0.0110202 35
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10487 219 H 43.0943 31.6724 6.5775 -0.001041 -0.00437455 -0.00132781 35
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10495 227 H 41.2248 33.451 1.6449 -0.000596941 -0.000334367 0.00248349 35
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10498 230 H 34.9644 29.6298 35.2255 0.000586712 0.00524924 0.01377 35
10499 231 H 35.1734 31.3404 35.6608 -0.00222351 -0.00212166 0.00449246 35
10500 232 H 32.7466 31.6626 35.1552 0.010879 0.0140892 0.0255029 35
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10502 234 H 31.7828 30.7149 37.0797 0.00126973 -0.00874124 0.0135571 35
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10517 249 H 34.3082 32.2698 44.8743 0.0117899 0.00449835 0.0129841 35
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10520 252 H 34.3474 31.4968 47.2771 -0.00847735 0.00495087 0.00405187 35
10521 253 H 41.8479 34.2024 33.592 0.000691167 -0.00358544 -0.00841492 35
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10527 259 H 41.723 37.226 37.3012 -0.00477243 0.00686945 -0.0196122 35
10528 260 H 40.3044 36.2078 37.4205 0.00106491 -0.00181664 0.00250493 35
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10530 262 H 43.251 35.4349 37.806 -0.000710771 0.000388263 0.00799843 35
10531 263 H 42.7544 34.9929 40.1677 -0.00357165 0.00951101 0.00599315 35
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10534 266 H 40.0658 34.7109 39.4324 0.00244341 -0.00164111 0.00077102 35
10535 267 H 39.5012 34.6734 41.7494 0.0037974 -0.00633956 0.00382213 35
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10538 270 H 41.001 36.6034 42.649 -0.0126187 -0.00217929 0.00890159 35
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10544 276 H 41.4352 34.0119 46.6637 0.00495853 0.000813003 0.0015674 35
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10555 287 H 42.733 24.8005 38.7518 -0.0135141 -0.00377651 0.00231866 35
10556 288 H 42.2922 27.1446 40.6237 0.000456352 -0.00184633 0.00826201 35
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10560 292 H 42.6355 24.7785 43.0227 -0.00291228 -0.00681668 0.0102966 35
10561 293 H 40.8548 24.5449 43.2097 -0.00524914 0.0129772 0.01235 35
10562 294 H 40.677 27.1346 43.1896 0.0078328 0.00771408 -0.00486085 35
10563 295 H 42.4309 27.1856 43.2613 -0.0044046 0.0119525 0.00309506 35
10564 296 H 40.3995 26.3295 45.4014 0.000729862 -0.00548981 -0.00472744 35
10565 297 H 41.7254 27.5502 45.4103 -0.0106924 0.00590161 -0.0116476 35
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10567 299 H 42.2016 24.5933 45.3291 0.00201401 -0.00433117 0.0144972 35
10568 300 H 42.8817 24.7837 47.7218 0.00477739 0.0102615 0.00832228 35
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10572 2 C 45.2436 40.4731 30.3343 0.00160094 0.00261861 -0.00313539 36
10573 3 C 44.8235 39.4462 29.5076 0.00471485 0.00188372 0.00409025 36
10574 4 C 44.0355 38.4171 30.0411 9.37621e-05 -0.00173413 0.000978297 36
10575 5 C 43.713 38.4005 31.4264 -0.00145577 0.00194875 0.000813103 36
10576 6 C 44.1003 39.4679 32.2249 -0.0041991 0.000380035 -0.00355768 36
10577 7 C 39.3353 37.1627 30.319 -0.000188571 2.20662e-05 0.00343164 36
10578 8 C 39.6594 37.0826 28.9347 -0.0011078 -0.00170389 0.00556687 36
10579 9 C 40.9788 37.1631 28.5364 0.00196757 8.7227e-05 -0.000789427 36
10580 10 C 42.0096 37.2204 29.5137 0.00124251 0.00115481 0.00110255 36
10581 11 C 41.6842 37.1877 30.8997 0.000776144 0.00172017 0.00224447 36
10582 12 C 40.3543 37.1961 31.3076 -0.000989955 -1.32087e-05 0.00148814 36
10583 13 C 44.9218 33.8961 31.5299 0.000573094 0.00337101 0.00309286 36
10584 14 C 45.1633 33.9107 30.1463 0.0041076 0.00248923 0.00281842 36
10585 15 C 44.7248 34.9596 29.3474 -0.00528411 -0.00261341 -0.00449251 36
10586 16 C 44.0577 36.0054 29.9975 0.00452418 -0.00402043 0.00135564 36
10587 17 C 43.5064 37.2014 29.25 0.00110992 -0.00195922 0.00122905 36
10588 18 O 44.257 34.9961 33.6067 -0.00178809 0.000787049 0.000973133 36
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10590 20 O 43.7489 39.52 33.5399 0.000129041 -0.00136964 -0.00136328 36
10591 21 C 44.291 34.9584 32.2005 0.000406106 -0.00412773 -0.00082412 36
10592 22 C 43.9059 37.2418 27.8375 -0.00345506 0.000260389 0.000756953 36
10593 23 C 44.4921 37.2674 26.7851 -0.00445584 -0.00117837 0.00219323 36
10594 24 C 45.3122 37.3176 25.6221 0.00282827 0.00178326 -0.00435853 36
10595 25 C 45.8434 38.5354 25.1769 -0.00191364 -0.00199861 -0.00383124 36
10596 26 C 46.6611 38.5578 24.0653 -0.00474658 0.000382102 -0.00316606 36
10597 27 C 47.0436 37.3667 23.4309 -0.00645994 -0.000870351 0.0031691 36
10598 28 C 46.542 36.1153 23.9079 -0.000662588 -0.00429772 0.0010086 36
10599 29 C 45.6575 36.109 25.0109 0.00400364 0.00508828 0.000318448 36
10600 30 C 47.7655 37.3568 22.2104 0.00117726 0.000782857 -0.00435086 36
10601 31 C 48.1727 37.3247 21.0722 0.000713844 -0.000555731 -0.00056439 36
10602 32 C 46.3177 34.1406 18.6998 0.00142356 -0.000679918 0.0024614 36
10603 33 C 46.445 34.2209 17.3244 -0.00118092 -0.00156198 0.000937244 36
10604 34 C 47.2209 35.2171 16.7453 0.00229816 -0.00396493 0.00291799 36
10605 35 C 47.7512 36.2283 17.5609 -0.000357824 -0.000148885 0.000963314 36
10606 36 C 47.6215 36.1558 18.9832 -0.00123174 -0.000196625 0.000125702 36
10607 37 C 46.9292 35.0867 19.5474 -0.00565314 0.0043432 0.00314966 36
10608 38 C 48.3303 37.3476 19.6219 -0.00121523 0.0009737 -0.00303912 36
10609 39 C 52.1912 37.7362 19.2362 -0.000834687 -0.00079267 0.00102962 36
10610 40 C 52.2618 37.6637 17.8124 0.00137159 0.00416287 -0.00182627 36
10611 41 C 51.0978 37.4737 17.0501 -0.000988518 -0.00113696 0.00345525 36
10612 42 C 49.8592 37.3628 17.7039 -0.00250041 -0.000547835 -0.00290615 36
10613 43 C 49.7911 37.3641 19.1004 0.00140639 -0.0011657 -0.00142779 36
10614 44 C 50.9567 37.6079 19.8623 -0.00398076 -0.000286127 0.00667117 36
10615 45 C 46.5877 40.744 18.8363 -0.00188252 0.000623005 0.00138837 36
10616 46 C 46.841 40.8134 17.4544 -0.00154861 -0.00561215 -0.00100109 36
10617 47 C 47.4531 39.7477 16.8207 -0.00449933 -0.00118931 -0.00088106 36
10618 48 C 47.8234 38.6261 17.5483 0.00354082 0.000169976 -0.00604101 36
10619 49 C 48.5114 37.4027 16.9676 -0.000440159 0.00447753 4.15603e-05 36
10620 50 C 47.6686 38.5902 18.9324 0.00266746 0.00295438 -0.00501207 36
10621 51 C 47.0675 39.6869 19.5848 -0.00323181 -0.00163373 0.00399163 36
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10624 54 O 47.5604 39.7591 15.4595 -0.00147541 0.000783023 0.00393992 36
10625 55 C 42.9003 37.1696 31.8328 0.00541436 -0.00107728 -0.00209409 36
10626 56 C 43.7755 35.9913 31.3921 0.00278646 0.000739137 -0.00354923 36
10627 57 C 51.7911 36.3987 15.0066 -0.000383796 0.000267099 0.00177384 36
10628 58 C 50.9187 35.8004 13.8919 0.00203716 0.00206118 -0.00434195 36
10629 59 C 50.3952 36.7313 12.7714 0.00264846 0.00363036 0.00137895 36
10630 60 C 50.3291 36.0095 11.4074 0.00292758 0.000891273 0.00220444 36
10631 61 C 49.8993 36.947 10.2425 -0.00189104 -0.000429654 8.12011e-05 36
10632 62 C 49.9782 36.2097 8.88786 -0.00223168 -0.00169477 -0.00172352 36
10633 63 C 49.6912 37.1437 7.70824 0.00107464 0.00676763 0.000102147 36
10634 64 C 49.8427 36.3242 6.3774 0.00133813 0.00591301 0.00135704 36
10635 65 C 49.6291 37.1442 5.09526 -0.00259612 -0.000263957 -0.00459247 36
10636 66 C 49.8625 36.2064 3.8507 0.00158635 0.00130554 0.000601235 36
10637 67 C 50.377 36.9881 2.59608 -0.00214918 0.00317903 -2.99159e-06 36
10638 68 C 49.237 37.8024 1.93035 -0.00203126 0.000139418 0.00261967 36
10639 69 F 47.1182 39.7538 23.6162 -0.00475182 0.00310977 -0.00326147 36
10640 70 C 46.3691 35.0433 14.4103 0.00147848 -0.000702786 0.00185275 36
10641 71 C 46.9846 35.2881 13.0075 0.00135971 0.00149761 0.000870659 36
10642 72 C 46.0433 34.897 11.8297 0.00467555 -0.00393479 -0.00040718 36
10643 73 C 46.7252 35.104 10.4868 -0.000876847 1.77758e-05 -0.00339338 36
10644 74 C 45.872 34.7855 9.25254 0.000466205 -0.00287967 0.00399063 36
10645 75 C 46.4785 35.1145 7.86574 -0.00165162 0.00184049 0.00431113 36
10646 76 C 45.6378 34.7236 6.66089 -0.00127648 -0.00695093 0.00191011 36
10647 77 C 46.3395 35.1132 5.35048 0.0050896 0.00305343 -0.00547917 36
10648 78 C 45.5568 34.6986 4.04991 -0.00177861 0.00418114 -0.00261664 36
10649 79 C 46.2561 35.1132 2.73409 0.00243935 -0.00212669 0.00154509 36
10650 80 C 45.3255 34.9804 1.567 0.00325361 -0.000116133 -0.00165764 36
10651 81 C 46.0826 35.1968 0.259213 0.00215279 0.00120454 0.00179632 36
10652 82 C 48.8211 40.1198 14.8391 -0.00180052 -0.000409129 -0.00438219 36
10653 83 C 48.7583 40.0793 13.2918 0.00310812 -0.000534648 0.00239446 36
10654 84 C 49.7109 40.9861 12.5156 0.00191136 0.00293203 0.000447742 36
10655 85 C 49.4519 40.917 11.0103 0.00152769 -0.00183006 -0.00158814 36
10656 86 C 50.3097 41.9271 10.2278 0.000532707 -0.00907073 0.00130413 36
10657 87 C 50.6788 41.5048 8.77622 -0.000428391 0.00112376 0.00152576 36
10658 88 C 49.6136 40.7137 7.96779 -0.000482514 -0.00210527 -0.00163176 36
10659 89 C 49.9419 40.4254 6.51797 0.00244553 -6.79726e-05 -0.00181866 36
10660 90 C 49.9106 41.5488 5.51154 -0.00103184 -0.0028176 0.00204367 36
10661 91 C 49.8957 41.0106 4.06188 -0.00237536 -0.00402478 -0.000720819 36
10662 92 C 49.7796 42.1433 3.01946 -0.00591731 0.00112071 -0.00214325 36
10663 93 C 49.7917 41.5203 1.58078 0.00213466 -0.00369107 0.00213988 36
10664 94 C 38.6613 37.3377 33.0382 0.00161221 5.34481e-05 -0.000721793 36
10665 95 C 38.5077 37.1344 34.555 -0.00117404 -0.000480063 -0.00171177 36
10666 96 C 37.0804 37.4641 35.0975 -0.00474424 -0.00319971 0.00307109 36
10667 97 C 37.0996 37.8818 36.5699 -0.000568348 -0.00236104 -0.000366958 36
10668 98 C 37.4048 36.7081 37.5136 -0.000838918 -0.0014141 -0.00183484 36
10669 99 C 37.8832 37.1647 38.8742 -0.00175 -0.000234038 -0.00394729 36
10670 100 C 36.9546 38.113 39.6635 -0.00177326 -0.0028528 -0.00315379 36
10671 101 C 36.9861 37.9084 41.2022 0.00113115 0.00245089 -0.0018207 36
10672 102 C 38.3918 37.913 41.8489 -0.00467417 0.00342105 0.0027419 36
10673 103 C 38.4797 38.231 43.3449 -0.00420283 0.00211818 0.00302458 36
10674 104 C 37.4706 37.4269 44.1974 0.00028454 0.00446465 -0.0044054 36
10675 105 C 37.7383 37.6091 45.7238 0.000526423 -0.00345277 8.15935e-06 36
10676 106 C 43.5692 40.8026 34.1612 0.00352388 -0.00168182 -0.00408724 36
10677 107 C 44.7733 41.116 35.0713 0.00182314 0.000684718 -0.00143153 36
10678 108 C 44.2785 41.8711 36.303 -0.000392939 -0.00161303 -0.00289774 36
10679 109 C 45.2442 41.7775 37.486 -0.00216633 -0.00214093 0.00412789 36
10680 110 C 44.569 41.8503 38.8474 0.000656967 -0.000529473 0.00139702 36
10681 111 C 45.5858 41.7842 39.9922 0.00279721 -0.00110263 -0.00182048 36
10682 112 C 44.8096 41.875 41.3157 -5.55773e-05 -0.000795352 0.00189277 36
10683 113 C 45.7944 41.9788 42.5104 -0.00146219 0.00451878 0.00118733 36
10684 114 C 45.0929 41.8529 43.883 -0.000585042 -0.00224227 0.00361709 36
10685 115 C 46.0056 42.0816 45.0546 -0.00203241 -0.000196532 -0.00191848 36
10686 116 C 45.4007 41.6163 46.3976 -0.00323462 -0.00137969 0.00380096 36
10687 117 C 43.9774 42.2231 46.6795 0.00449098 -0.00280925 3.03343e-05 36
10688 118 C 44.4595 33.76 34.3462 -0.00118285 0.00311676 0.00143239 36
10689 119 C 44.509 33.8861 35.9034 0.00205768 0.00111805 -0.000393529 36
10690 120 C 45.369 32.7409 36.5424 0.00105604 -0.000751239 -0.00234268 36
10691 121 C 45.7763 33.0277 38.0251 0.00150439 -0.00258635 0.00413779 36
10692 122 C 44.6757 32.8499 39.1159 0.00248592 -0.00107808 -0.000645078 36
10693 123 C 45.2911 32.9521 40.5446 -0.00236024 -0.00278858 0.00422001 36
10694 124 C 44.3453 32.633 41.7243 0.000216893 0.00561182 -0.000561513 36
10695 125 C 45.0149 32.9425 43.0705 0.00140182 0.00402424 -0.000303548 36
10696 126 C 44.1705 32.4353 44.2504 -0.000804416 -0.00145856 0.00103661 36
10697 127 C 44.9457 32.3973 45.5876 0.00281262 0.00227154 0.00313146 36
10698 128 C 44.97 33.7617 46.3241 -0.00158283 -0.00415076 0.00303111 36
10699 129 C 45.8666 33.7419 47.577 -0.000554444 0.00626137 0.0021951 36
10700 130 F 45.5284 39.7189 25.7983 -0.000172726 0.00286913 0.000897088 36
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10704 134 H 38.2955 37.2161 30.6279 0.00342384 0.00232387 0.0152895 36
10705 135 H 38.8558 37.0228 28.2066 -0.00440446 0.00223295 0.0088751 36
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10710 140 H 46.7496 35.1773 23.4014 0.0064774 -0.00434703 0.00404088 36
10711 141 H 45.2679 35.1577 25.3612 0.0086893 0.00609193 0.00824428 36
10712 142 H 45.6492 33.4194 19.1605 0.0139214 -0.00462122 0.0144106 36
10713 143 H 45.8863 33.482 16.7575 0.000369732 -0.000241402 -0.00229345 36
10714 144 H 46.8728 34.9608 20.6246 -0.00962918 0.00599421 0.00312902 36
10715 145 H 53.0644 37.8888 19.8637 -0.000558812 -0.00864022 0.00256413 36
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10717 147 H 50.895 37.7484 20.9374 -0.0043856 -0.00253968 0.00694055 36
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10720 150 H 48.5838 37.3861 15.8732 0.0134148 -0.00999349 0.0011708 36
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10724 154 H 52.0667 35.6103 15.7178 0.00588554 0.0100085 0.0101541 36
10725 155 H 50.0549 35.2907 14.3362 0.0024345 0.0114358 0.00716717 36
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10729 159 H 49.7201 35.0978 11.4438 0.00113526 0.00251312 0.0125366 36
10730 160 H 51.3407 35.626 11.2255 0.00606388 0.00775622 0.0051689 36
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10735 165 H 50.4175 37.9659 7.70834 0.00728406 0.00129362 0.0114061 36
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10751 181 H 47.9235 34.7289 12.9117 0.00420069 0.00525093 0.00683394 36
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10775 205 H 48.8732 39.0171 13.0428 0.00660216 -0.000931862 0.00568369 36
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10779 209 H 49.6635 39.8892 10.6905 0.00057385 -0.0068028 0.0137548 36
10780 210 H 48.3945 41.0916 10.7761 0.000253741 0.00754031 0.0111731 36
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11460 286 H 8.81384 9.25158 86.3394 -0.00628483 0.00173183 0.00895612 38
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11522 46 C 5.89871 5.41913 65.7968 0.00203269 0.001855 0.000487218 39
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11895 117 C 17.8495 16.9177 95.327 -0.00345172 -0.00424319 -0.00300901 40
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11897 119 C 15.4389 8.98279 84.671 -0.00349015 -0.0038082 -0.00310113 40
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11900 122 C 17.0256 8.54396 88.2122 -0.00209048 -0.000128482 -0.00340904 40
11901 123 C 16.6547 8.78329 89.6954 -0.0012415 -0.00256161 -0.000876884 40
11902 124 C 17.7466 8.23378 90.6096 -0.00257831 -0.000666809 -0.000906857 40
11903 125 C 17.7109 8.80614 92.0723 -0.00206981 -0.00391315 0.000194315 40
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11998 220 H 15.1089 12.5441 53.3574 -0.000330222 -0.00941662 0.0091219 40
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12065 287 H 17.3824 7.52077 88.0413 0.0245344 0.00737245 0.00735314 40
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12083 3 C 19.5227 7.1337 77.6271 0.000168784 0.00523935 0.0027377 41
12084 4 C 18.9509 6.19439 78.5291 0.00207621 0.000691397 -0.00137741 41
12085 5 C 18.8275 6.48851 79.9099 -0.00237655 0.0051145 0.000953222 41
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12087 7 C 14.3084 5.17581 79.6822 -0.00220328 0.00162958 0.000462249 41
12088 8 C 14.4774 5.01255 78.3029 -0.00144798 0.000247051 0.00426952 41
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12094 14 C 20.1609 1.78664 79.5315 -0.00252544 0.00203725 0.00214097 41
12095 15 C 19.6156 2.64051 78.6055 -0.000174304 -0.000337799 0.000544384 41
12096 16 C 18.9351 3.8205 79.013 0.0049985 -0.00155109 0.00161922 41
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12106 26 C 16.4536 4.12213 72.1547 0.000339868 -0.00229748 0.00113577 41
12107 27 C 17.0235 2.9686 71.6254 -0.00195955 -0.00237488 -0.00058285 41
12108 28 C 18.0015 2.2546 72.3431 -0.000372756 0.00297071 -0.00150388 41
12109 29 C 18.4179 2.72077 73.5997 -0.000625406 -0.00741136 -0.00228572 41
12110 30 C 16.6925 2.55365 70.2969 0.00214984 0.00173302 -0.000234826 41
12111 31 C 16.4074 2.33732 69.145 -0.00237437 -0.000872715 -0.000729983 41
12112 32 C 14.4401 -1.28878 67.4233 -0.000194779 -0.00137397 0.00258375 41
12113 33 C 14.3194 -1.34354 66.0152 1.8556e-05 -0.00362099 0.00253873 41
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12118 38 C 16.1524 2.18438 67.7011 0.000581287 -0.00253863 -0.000174544 41
12119 39 C 19.8889 2.02655 66.5677 0.00355461 -0.000170733 -0.00102866 41
12120 40 C 19.7096 1.94027 65.1845 0.00119155 -0.00140128 0.00572849 41
12121 41 C 18.4652 2.1355 64.6608 -0.000518028 -0.00261749 0.00174724 41
12122 42 C 17.3394 2.15075 65.4899 -0.000291665 0.00420408 -0.00423251 41
12123 43 C 17.4611 2.14357 66.9061 0.000186122 0.00145761 -0.00532788 41
12124 44 C 18.7724 2.13545 67.4367 0.000606739 0.000340362 0.00237812 41
12125 45 C 14.1228 5.48991 67.0674 0.00255693 0.0014709 0.00345998 41
12126 46 C 14.1277 5.4919 65.6519 0.00796859 6.54084e-06 0.00226953 41
12127 47 C 14.691 4.40168 64.9587 0.00290055 0.00197413 -0.000152765 41
12128 48 C 15.2489 3.29574 65.6746 -0.000940843 -0.00312961 -0.00270875 41
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12422 40 C 23.6772 8.91895 65.3583 -0.00368889 0.000819389 0.000144614 42
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12432 50 C 19.3468 10.0671 67.2472 -1.82985e-05 0.00299303 0.00306505 42
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12449 67 C 20.6888 6.92912 49.8937 9.06018e-05 0.00237079 -0.000508985 42
12450 68 C 20.5874 7.90755 48.6945 0.000290417 0.00267662 -0.000151564 42
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12456 74 C 16.6242 5.66911 58.3008 0.00283009 -0.000621485 0.000429018 42
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12466 84 C 20.8088 13.4 61.1758 0.000544435 -0.0019659 -6.00667e-06 42
12467 85 C 21.3993 13.3615 59.7252 -0.000905434 0.00157418 0.00170063 42
12468 86 C 20.7041 12.4737 58.6931 0.000850608 -0.00135232 0.00045359 42
12469 87 C 21.2212 12.8162 57.267 0.000211056 -0.00569438 0.00885733 42
12470 88 C 20.5131 12.0684 56.1382 -0.000529193 -0.0005728 0.00112039 42
12471 89 C 20.8959 12.5793 54.6996 -0.00504378 -0.003518 -0.00255117 42
12472 90 C 20.358 11.6751 53.5874 -0.00630462 0.000768876 0.00271232 42
12473 91 C 20.833 12.2855 52.2045 -3.34447e-05 0.00109812 0.00160743 42
12474 92 C 20.6627 11.318 51.0159 -0.000460582 -0.00417356 -0.00455275 42
12475 93 C 20.9074 11.9664 49.6687 -0.000768163 -0.0002655 0.00180767 42
12476 94 C 18.0373 12.3732 83.0086 9.42947e-05 0.000233033 0.000843248 42
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12478 96 C 16.8381 12.0096 85.1515 -0.00412881 -0.00161907 0.00108526 42
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12481 99 C 16.5418 12.6339 89.0008 -0.00111393 -0.00150754 0.00329803 42
12482 100 C 17.4682 12.5805 90.2334 0.000221416 -0.00437301 -0.00262916 42
12483 101 C 16.6718 12.4454 91.5586 0.000190229 -0.00156958 -0.00340546 42
12484 102 C 17.5317 12.5293 92.8485 0.000313692 -0.0022395 0.00319967 42
12485 103 C 16.7411 12.353 94.1712 -0.00338413 0.00159233 0.00342074 42
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12487 105 C 16.9431 12.5806 96.7687 -0.00229268 -0.0068917 0.000442034 42
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12490 108 C 24.686 17.5626 84.4578 -0.00120422 -0.000476774 -0.00141241 42
12491 109 C 25.1105 17.5491 85.9742 0.00302491 -0.000383914 -0.00455153 42
12492 110 C 24.0062 16.9914 86.8988 0.000760904 9.10557e-06 0.00313376 42
12493 111 C 24.1262 17.2976 88.424 0.00199391 -0.00224599 -0.000257408 42
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12495 113 C 25.6254 17.2908 90.5293 -0.00317549 0.00279179 -0.00166975 42
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12497 115 C 25.1662 16.8717 92.9848 -0.00310503 0.00141725 0.000579337 42
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12500 118 C 24.2553 9.49353 83.4937 0.00154276 -0.000594113 -0.00119748 42
12501 119 C 23.9405 8.03967 83.7855 0.00136431 0.0028005 0.000386048 42
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12503 121 C 24.2361 7.94791 86.3535 0.00163559 -0.00158331 0.00188738 42
12504 122 C 25.0057 7.34079 87.5578 -0.000503919 -0.00113448 -0.000916828 42
12505 123 C 24.462 8.00701 88.8591 -0.0012242 -0.00105085 0.00277711 42
12506 124 C 25.371 7.63618 90.0396 0.00281713 -0.00255113 -0.00207207 42
12507 125 C 24.8612 8.28911 91.3204 -0.000152024 -0.00420198 -0.00259102 42
12508 126 C 25.7317 7.84928 92.4843 0.00426175 0.0019311 0.000846203 42
12509 127 C 25.1954 8.42333 93.8127 0.00206086 -0.00391953 0.0013169 42
12510 128 C 26.0813 7.99343 95.0148 0.00124169 0.00200879 0.00053891 42
12511 129 C 25.5204 8.59213 96.2991 -0.00167768 0.00362077 0.00285744 42
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12949 265 H 27.3415 10.1064 90.6974 0.00362844 0.0111903 0.0169368 43
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13000 14 C 31.9371 8.58365 78.7121 -0.000533785 0.00216782 -0.000205003 44
13001 15 C 31.3488 9.60796 77.9874 -0.00327057 0.000755411 -0.00063075 44
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13003 17 C 29.9579 11.8431 77.9181 0.00161109 0.00169763 0.0041178 44
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13010 24 C 29.6073 10.9967 73.9874 -0.00125297 -0.000847367 0.00320283 44
13011 25 C 30.5729 10.259 73.3066 0.000677211 -0.00119839 -0.00197174 44
13012 26 C 30.2441 9.60692 72.1176 -0.00370469 -0.00100336 -0.000215468 44
13013 27 C 28.9483 9.70303 71.6094 0.00170467 -0.000907024 0.000304164 44
13014 28 C 28.0218 10.5606 72.2217 0.000489638 -0.00266047 0.00153692 44
13015 29 C 28.3043 11.2103 73.4336 -0.00163653 3.41645e-05 0.00481055 44
13016 30 C 28.6232 9.18753 70.3352 0.00248877 0.00199696 0.000817107 44
13017 31 C 28.3015 8.96037 69.2012 -0.000598378 -0.00248038 0.00279239 44
13018 32 C 25.8107 5.6687 67.6376 0.00229155 -0.00280062 -0.00142763 44
13019 33 C 25.7282 5.56238 66.2437 -0.00465617 -0.000712452 0.000227173 44
13020 34 C 26.2154 6.53551 65.3628 0.00220246 -0.000491603 0.000684763 44
13021 35 C 26.8435 7.64453 65.9354 -0.00120095 -0.00112349 -0.00184923 44
13022 36 C 27.0534 7.70123 67.3583 0.000417104 0.00322759 0.000766851 44
13023 37 C 26.5057 6.75474 68.1645 -0.00172762 0.00528957 -0.00591549 44
13024 38 C 27.9663 8.86355 67.7923 -0.00327934 -0.00179301 -0.00132414 44
13025 39 C 31.6327 8.92949 66.4428 -0.000516888 -0.00264755 -0.00553884 44
13026 40 C 31.417 8.76626 65.053 -0.00064457 -0.000839501 0.00316727 44
13027 41 C 30.0763 8.63048 64.6049 -0.00360031 -0.00193784 0.00354097 44
13028 42 C 29.0258 8.6872 65.5288 -0.006777 -0.00336769 0.000755796 44
13029 43 C 29.248 8.76285 66.933 0.00111989 0.0011814 -0.00172862 44
13030 44 C 30.5723 8.93431 67.3593 0.00337211 -0.00183726 0.0019849 44
13031 45 C 26.3985 12.3878 67.2816 0.000925874 -0.00191383 -0.00295459 44
13032 46 C 26.2848 12.3317 65.8625 -0.000586312 -0.00501573 0.00115281 44
13033 47 C 26.6732 11.1944 65.1689 -0.00108333 -0.000642176 0.00167334 44
13034 48 C 27.145 10.0896 65.8305 -0.00726409 -0.00461099 9.12481e-05 44
13035 49 C 27.5531 8.78278 65.1479 -0.000381432 0.0031788 0.0042839 44
13036 50 C 27.3073 10.1283 67.231 -0.00144641 0.000280549 -0.00572883 44
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13275 289 H 33.343 8.76724 88.8632 0.00133494 0.00728649 0.0120272 44
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13279 293 H 32.4716 6.50159 91.0058 -0.000997786 0.00179532 0.00120904 44
13280 294 H 31.151 7.96472 92.794 0.00644273 0.000185131 0.0129029 44
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13287 301 H 33.9494 7.42205 96.8146 -0.00867384 0.00287436 0.000526199 44
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13290 2 C 35.8492 8.26908 78.2358 -0.00225506 -0.000908841 0.00176622 45
13291 3 C 35.2962 7.16462 77.6066 0.00683859 -0.00520659 0.00137489 45
13292 4 C 34.581 6.20245 78.3754 -0.00342894 -3.16695e-05 -0.000641068 45
13293 5 C 34.4809 6.35316 79.7838 0.00351161 -0.000474979 -0.00294118 45
13294 6 C 35.0839 7.4364 80.4502 0.00187948 7.34631e-05 0.00113529 45
13295 7 C 29.9043 5.34481 79.688 0.0016086 0.00366957 0.00225157 45
13296 8 C 29.9638 5.30136 78.2736 0.00120058 0.00214016 -0.00225743 45
13297 9 C 31.2184 5.24193 77.6326 0.00314626 -0.000921352 0.00260595 45
13298 10 C 32.3567 5.1828 78.4156 -0.00111161 -0.000381763 2.06477e-05 45
13299 11 C 32.309 5.20439 79.8094 0.00209161 0.00169879 -0.00188666 45
13300 12 C 31.0583 5.3201 80.4636 -0.00177098 0.000687834 -0.00113904 45
13301 13 C 35.5221 1.75235 80 0.000217271 0.00135251 -0.000248077 45
13302 14 C 35.5479 1.75606 78.5933 -0.000317253 0.0005192 0.00457801 45
13303 15 C 34.9599 2.76257 77.8739 -0.00400727 -0.00105916 -0.00366914 45
13304 16 C 34.3531 3.8327 78.5491 0.0023101 -0.00440446 0.00148156 45
13305 17 C 33.7748 5.04852 77.8385 0.00170549 -0.000923905 0.00179333 45
13306 18 O 34.9691 2.85627 82.1133 -0.000464313 0.000181809 -0.00317844 45
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13308 20 O 34.9075 7.6806 81.7825 0.000291847 0.00276123 0.00181747 45
13309 21 C 34.9918 2.85633 80.716 -0.00160194 0.00360069 0.00311652 45
13310 22 C 33.8107 4.93705 76.3485 -0.00231705 -0.000860125 -0.00078776 45
13311 23 C 33.6977 4.6577 75.1864 0.0003557 -0.00281293 -0.00329622 45
13312 24 C 33.3112 4.24473 73.8575 -0.00120149 -0.00309706 0.00195832 45
13313 25 C 32.6786 5.08241 72.9207 0.00238093 0.000448 0.0014529 45
13314 26 C 32.3513 4.63103 71.6319 -0.00262744 -9.76146e-06 0.00146096 45
13315 27 C 32.4205 3.25115 71.3923 -0.00131054 0.00344991 0.0001844 45
13316 28 C 32.9462 2.38182 72.3738 -0.00299477 0.00370712 -0.000136087 45
13317 29 C 33.3917 2.88343 73.6311 0.00303217 0.000365075 0.00321579 45
13318 30 C 32.0098 2.76013 70.1082 0.000801258 0.000944635 0.000656501 45
13319 31 C 31.7816 2.35601 68.978 -0.000171801 -0.00219883 -0.00205529 45
13320 32 C 29.891 -1.13885 67.0234 9.96502e-05 -0.00196186 0.00155258 45
13321 33 C 29.8706 -1.16584 65.6338 0.000470687 0.00081096 -0.00517629 45
13322 34 C 30.5061 -0.169566 64.8567 -0.00180837 -8.92581e-05 -0.000944198 45
13323 35 C 31.0628 0.932827 65.545 -0.000635187 -0.00268591 0.00416236 45
13324 36 C 31.0193 0.982939 66.9711 -0.00477406 0.00348193 0.00306605 45
13325 37 C 30.5432 -0.116979 67.7258 -0.00493788 -0.00335592 0.00409785 45
13326 38 C 31.713 2.23169 67.5355 0.00275728 -0.00109427 0.000170154 45
13327 39 C 35.5222 2.14818 66.9135 -0.000513138 0.00140453 -0.00297081 45
13328 40 C 35.524 2.05717 65.4844 0.00311215 -0.000942789 0.00241031 45
13329 41 C 34.3098 2.06439 64.7916 0.00125458 0.00208582 0.0026796 45
13330 42 C 33.1048 2.15304 65.5107 0.00140992 0.00368811 3.35368e-05 45
13331 43 C 33.101 2.24732 66.9187 -0.0017633 -0.00333806 0.00111374 45
13332 44 C 34.3228 2.20407 67.5966 0.00184478 0.00218162 0.000525433 45
13333 45 C 29.4277 5.25459 66.8176 0.000787031 -0.00462745 0.00178697 45
13334 46 C 29.4191 5.16361 65.4158 -0.00457473 -0.000560639 -1.34333e-05 45
13335 47 C 30.1558 4.20877 64.7313 -0.000657951 0.000840075 -0.00371774 45
13336 48 C 30.9331 3.30629 65.4794 -0.00287624 -0.00117546 -0.00187508 45
13337 49 C 31.7209 2.11303 64.9028 0.00215755 0.000914026 0.00173836 45
13338 50 C 30.9526 3.39175 66.8815 0.00251612 -0.000195166 0.00272258 45
13339 51 C 30.2264 4.41076 67.5531 -0.00130923 -0.00219563 -0.000928772 45
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13343 55 C 33.694 5.19353 80.4712 -0.00167523 -0.00172407 0.000910099 45
13344 56 C 34.3797 3.90241 79.9634 -0.00068161 0.00218156 0.00442779 45
13345 57 C 34.9468 1.00894 62.6886 0.00186901 0.000371783 0.000889767 45
13346 58 C 35.0999 1.42134 61.2098 -0.00299518 0.00119273 0.00103265 45
13347 59 C 33.807 1.23737 60.3614 0.000875572 0.00444782 0.000648821 45
13348 60 C 34.0117 1.81423 58.961 0.00287439 0.00155133 0.000166838 45
13349 61 C 32.9576 1.40698 57.9511 0.00294508 0.00125527 0.00555393 45
13350 62 C 33.234 1.95244 56.5489 -0.0027204 -0.0014033 0.00321552 45
13351 63 C 32.3757 1.26685 55.4877 0.00149196 -0.000997032 0.00202511 45
13352 64 C 32.5297 1.86862 54.0869 0.00193657 0.00148637 0.00027562 45
13353 65 C 31.655 1.04829 53.1765 -0.000544917 -0.00226505 0.000800722 45
13354 66 C 31.5848 1.56343 51.7025 0.000679689 0.000428778 -0.00342151 45
13355 67 C 32.7984 1.14603 50.8143 -0.000759549 -0.000857788 0.00339509 45
13356 68 C 32.5728 1.68175 49.3967 -0.00115159 -0.00119065 -0.0014968 45
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13359 71 C 31.8143 -1.6061 61.6969 -0.000702655 -0.00218042 -0.00624258 45
13360 72 C 31.1053 -1.4868 60.2947 0.0044397 -0.00247976 0.00236096 45
13361 73 C 31.8153 -2.22561 59.1426 0.00178786 0.00421876 -0.000168721 45
13362 74 C 31.2228 -2.01357 57.7415 0.000670663 -0.00127387 0.00115771 45
13363 75 C 32.0055 -2.82648 56.6755 0.00323181 -0.00380465 -0.00109905 45
13364 76 C 31.6404 -2.57363 55.2 0.00204679 -0.00514433 -3.04313e-05 45
13365 77 C 32.3569 -3.47314 54.1937 0.00125453 -0.00346959 0.00286575 45
13366 78 C 32.0729 -3.05893 52.7399 0.00154471 -0.00245291 0.00227648 45
13367 79 C 32.9307 -3.8342 51.7329 -0.00267742 0.0016786 -0.00332795 45
13368 80 C 32.7096 -3.30364 50.2957 -0.00268153 -0.00282447 -0.00180599 45
13369 81 C 31.3961 -3.89009 49.6482 -0.000306086 -0.000735531 0.00183718 45
13370 82 C 29.1808 3.32255 62.6555 0.00364457 -0.000653941 0.00205905 45
13371 83 C 29.9524 2.55012 61.5279 -0.00262473 0.000543529 -0.000767329 45
13372 84 C 30.2159 3.39397 60.2253 -0.00409546 0.00129866 -0.000168995 45
13373 85 C 28.9409 3.51391 59.3173 -0.00395323 -0.000365913 6.2819e-05 45
13374 86 C 29.2292 4.20196 57.9596 -4.18859e-05 0.000203767 0.00146984 45
13375 87 C 29.8266 3.31528 56.8848 0.0013021 -0.00168136 0.00141557 45
13376 88 C 28.8792 3.04699 55.7097 -0.00466131 0.00103486 -0.00191774 45
13377 89 C 28.4748 4.29462 54.8582 -0.00210108 0.000616533 0.00087118 45
13378 90 C 27.7694 3.96586 53.5043 -0.00206842 0.00159091 0.00706992 45
13379 91 C 28.6891 3.38108 52.4366 0.00341786 0.000384612 0.000640731 45
13380 92 C 28.0662 3.49771 51.016 -0.00088193 0.00241995 0.00116192 45
13381 93 C 28.9118 2.88912 49.8894 -0.00198456 0.000468739 0.00164337 45
13382 94 C 29.7128 5.68759 82.4775 -0.00150462 -0.000592796 -0.00212206 45
13383 95 C 29.5725 5.29594 83.9543 0.00134326 -0.00320502 0.00602906 45
13384 96 C 28.2429 5.70075 84.553 -0.00169384 -0.00260756 -0.000699862 45
13385 97 C 27.9646 4.99781 85.9385 -0.00119234 0.000291164 0.00029323 45
13386 98 C 28.5605 5.67478 87.1652 0.00300437 -0.0021593 -0.00071348 45
13387 99 C 28.0521 5.06591 88.4788 0.00262684 -0.00280597 0.00172311 45
13388 100 C 28.7411 5.69091 89.6935 -0.00222985 0.00088113 -0.00343137 45
13389 101 C 28.3717 4.97811 91.0081 0.000742384 0.00444024 7.90688e-05 45
13390 102 C 29.2292 5.56127 92.154 -0.00254729 -0.000191688 -0.000269587 45
13391 103 C 28.7552 5.04857 93.4956 -0.000351245 -0.00141603 -7.5628e-05 45
13392 104 C 29.5501 5.61814 94.6313 -0.00122602 -0.00486107 -0.00238063 45
13393 105 C 28.9242 5.33317 96.034 -0.0025356 -0.00100122 0.00195527 45
13394 106 C 35.3933 8.89127 82.3918 0.000750959 0.000606644 0.00248846 45
13395 107 C 35.133 9.02078 83.9051 -0.00147825 0.0023994 -0.00220924 45
13396 108 C 36.2882 9.40244 84.8342 0.00128687 0.00339725 -0.00240735 45
13397 109 C 35.7898 9.75251 86.2655 0.000106545 0.000345457 -0.00431077 45
13398 110 C 36.8376 9.46628 87.3577 0.0010631 -0.0052655 0.00441832 45
13399 111 C 36.2709 9.90891 88.7191 -0.000269972 0.00592252 -0.000141606 45
13400 112 C 37.1816 9.54022 89.9092 -0.00255617 0.000129922 0.00213907 45
13401 113 C 36.428 9.9711 91.2066 -0.000223565 -0.001076 -0.00126704 45
13402 114 C 37.1298 9.58591 92.5404 -0.000285291 -0.00484751 -0.00101775 45
13403 115 C 36.2571 10.0764 93.696 -0.00322578 0.00094285 -0.00170502 45
13404 116 C 36.7806 9.58406 95.063 -0.00133584 0.00208574 0.00320125 45
13405 117 C 35.9041 10.1496 96.2549 -0.00261752 0.00159764 0.00132449 45
13406 118 C 35.5629 1.7219 82.8344 0.000652241 0.00326636 -0.000329652 45
13407 119 C 35.8806 1.99282 84.2842 -0.000126747 -0.00246488 -8.9007e-05 45
13408 120 C 36.4389 0.74906 84.9904 -0.00405819 -0.00092166 0.00333908 45
13409 121 C 37.007 1.06616 86.3949 0.00385965 2.9653e-06 0.00245433 45
13410 122 C 36.0723 0.769904 87.5517 -0.000555541 -0.00406102 0.00166113 45
13411 123 C 36.8011 0.85067 88.8988 -0.00179041 0.000508055 -0.00628311 45
13412 124 C 35.9305 0.397389 90.0909 -0.000976391 -0.00244178 -0.000244179 45
13413 125 C 36.7414 0.572175 91.3696 0.00138286 0.00382826 -0.00274028 45
13414 126 C 35.9723 0.14949 92.6145 -0.00299436 -0.000142141 -0.00524603 45
13415 127 C 36.8358 0.440995 93.8686 -0.00131137 0.000632357 -0.000674631 45
13416 128 C 36.0775 -0.00370668 95.1562 -0.00486461 -0.00442566 -0.00274726 45
13417 129 C 36.5012 0.770813 96.4402 -0.00304515 0.00306555 -0.000492904 45
13418 130 F 32.5532 6.39128 73.1792 -0.000666443 0.000151858 -0.00262275 45
13419 131 H 36.1282 9.28986 80.1029 -0.00660037 0.000198748 0.00656421 45
13420 132 H 36.2996 9.0815 77.6732 0.0140822 -0.00257146 0.0124411 45
13421 133 H 35.3792 7.03872 76.5311 -0.000161797 0.0256896 -0.00273364 45
13422 134 H 28.8841 5.41759 80.0531 0.00195047 0.00396141 0.00313877 45
13423 135 H 29.0396 5.4029 77.7124 -0.000483755 0.0127223 0.00238592 45
13424 136 H 31.2575 5.11431 76.5548 0.00428245 -0.00378607 0.00298135 45
13425 137 H 36.0616 0.971731 80.5282 0.0143276 0.00908521 -0.00318384 45
13426 138 H 36.0753 0.950951 78.0903 0.00726924 -0.00246009 0.0172389 45
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13429 141 H 33.814 2.18569 74.3481 0.00702511 0.0115875 0.0117413 45
13430 142 H 29.4744 -1.97782 67.5729 -0.000629782 0.00431234 0.0105649 45
13431 143 H 29.3511 -2.04862 65.273 0.0125415 -0.0067769 -0.00397706 45
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13435 147 H 34.4279 2.28701 68.6744 0.0094181 -0.00586484 0.000416877 45
13436 148 H 28.8558 6.02072 67.3327 -0.000455366 -0.017229 0.0191181 45
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13438 150 H 31.7414 2.05728 63.8075 0.00821663 -0.00272615 0.00203641 45
13439 151 H 30.2027 4.46698 68.6374 -0.00122639 0.00892977 -0.00151315 45
13440 152 H 33.6759 5.26852 81.5655 0.0164118 -0.00714217 0.0015904 45
13441 153 H 35.9434 0.848547 63.118 0.00572267 0.00249238 -0.00727404 45
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13488 200 H 30.5183 -3.67437 50.2699 0.00487367 0.0120435 0.00473921 45
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13512 224 H 27.8413 4.54796 50.7928 0.0138615 0.00601032 0.00324194 45
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13517 229 H 28.8442 5.22169 81.9959 -0.00177427 -0.00404175 0.00171411 45
13518 230 H 29.6394 4.20123 83.9306 -0.0145817 -0.00418254 0.00649329 45
13519 231 H 30.4172 5.64398 84.5615 -0.000601967 0.00816977 0.00218059 45
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13522 234 H 26.8791 4.89891 86.0626 -0.000267894 -0.0131271 -0.00222237 45
13523 235 H 28.3525 3.97215 85.9694 -0.000989539 0.000321696 -0.00130945 45
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13527 239 H 28.2953 4.0007 88.3809 -0.00851335 -0.00501327 -0.00186648 45
13528 240 H 29.8329 5.69722 89.5864 -0.00285822 0.0071879 -0.00944691 45
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13531 243 H 28.5294 3.89915 90.8881 -0.0183662 -0.000314656 0.0176375 45
13532 244 H 30.3015 5.41619 91.9734 -0.00151846 0.0024896 0.00366879 45
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13534 246 H 27.669 5.16357 93.5976 0.00100173 0.00111585 0.0112637 45
13535 247 H 28.8902 3.96027 93.5239 0.0136363 0.000526462 0.00761371 45
13536 248 H 30.6015 5.30534 94.6288 0.00144563 0.00413232 -0.00669187 45
13537 249 H 29.5675 6.7107 94.5343 -0.0030938 -0.00510909 -0.00546693 45
13538 250 H 29.6151 5.59937 96.8435 0.00264217 0.00329824 -0.00388898 45
13539 251 H 28.0158 5.92125 96.2141 -0.0085711 -0.00746573 -0.00745822 45
13540 252 H 28.6581 4.2836 96.2101 -0.017937 0.0030008 0.00258378 45
13541 253 H 36.4749 8.96374 82.2234 0.00163503 -0.00453755 0.00595733 45
13542 254 H 34.9546 9.71674 81.8177 -0.00101953 -0.0107152 -0.0125027 45
13543 255 H 34.3226 9.75231 84.0127 0.000634326 0.00497696 -0.00382982 45
13544 256 H 34.7112 8.08511 84.2923 -0.00709366 0.00144661 -0.0106331 45
13545 257 H 36.9667 8.54696 84.9401 -0.0187239 -0.0112475 0.0072551 45
13546 258 H 36.8686 10.222 84.3928 0.0087144 -0.00252435 -0.00366331 45
13547 259 H 35.5806 10.8292 86.2856 -0.0139379 -0.00248351 0.000173139 45
13548 260 H 34.865 9.18546 86.429 0.00609456 -0.00531461 0.00969891 45
13549 261 H 37.1415 8.41458 87.2874 0.00453066 -0.00428642 0.00470919 45
13550 262 H 37.7613 10.0249 87.1626 -0.00657468 0.00350824 -0.00658287 45
13551 263 H 36.152 10.9994 88.7045 0.0191603 0.00807818 0.00310824 45
13552 264 H 35.2634 9.49476 88.8485 0.00224698 -0.00155828 -0.00451611 45
13553 265 H 37.403 8.46611 89.8834 0.0123849 0.00323502 0.000674517 45
13554 266 H 38.1517 10.0436 89.8149 -0.00205372 -0.00286233 -0.00874559 45
13555 267 H 36.244 11.0473 91.1002 0.00286377 -0.00101097 -0.00606008 45
13556 268 H 35.4363 9.50217 91.1949 0.0069935 -0.0162729 -0.00390683 45
13557 269 H 37.2946 8.50422 92.619 0.00432801 -0.00504401 -0.0135088 45
13558 270 H 38.085 10.1194 92.6206 0.000431748 -0.00511857 -0.00783773 45
13559 271 H 36.195 11.1709 93.6567 0.0085434 0.00152587 -0.00416953 45
13560 272 H 35.2651 9.65992 93.4818 -0.0107196 0.0170267 0.0018471 45
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13562 274 H 37.8194 9.90849 95.2009 0.000529347 0.00039967 -0.00690331 45
13563 275 H 36.3198 9.92036 97.2438 0.00922944 -0.0046698 -0.00510861 45
13564 276 H 35.8575 11.245 96.217 0.00660794 0.00155547 -0.0114333 45
13565 277 H 34.8959 9.73721 96.125 -0.000997993 -0.00258485 0.00201624 45
13566 278 H 34.8755 0.878742 82.693 -0.00368292 0.00810892 -0.00831052 45
13567 279 H 36.5073 1.43079 82.3582 0.00685465 0.00208357 0.0127534 45
13568 280 H 34.9778 2.34015 84.8017 0.00324016 0.0163104 -0.00681775 45
13569 281 H 36.625 2.79852 84.2762 -0.00872052 0.00541089 -0.0086211 45
13570 282 H 37.245 0.326174 84.3782 0.00453204 0.00321738 0.011778 45
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13574 286 H 35.7105 -0.261128 87.4543 -0.0116255 0.000320372 -0.00355497 45
13575 287 H 35.1933 1.42585 87.5307 0.00198582 -0.000638095 0.0023629 45
13576 288 H 37.1839 1.86809 89.046 -0.023055 0.00463855 0.0203675 45
13577 289 H 37.649 0.16159 88.8006 -0.00249043 -0.000943519 -0.00207751 45
13578 290 H 35.6807 -0.670541 90.0681 -0.00318973 -0.00194418 0.000675936 45
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13580 292 H 36.8861 1.65549 91.464 0.00234557 0.00197042 0.0170469 45
13581 293 H 37.7219 0.0819345 91.3273 0.00195894 0.00376882 0.0110805 45
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13583 295 H 35.0377 0.720416 92.6774 -0.00298753 -0.00136843 0.00607289 45
13584 296 H 37.0849 1.50725 93.9353 -0.0093223 0.00208436 0.00624934 45
13585 297 H 37.7361 -0.178807 93.776 0.000539209 0.00190457 0.00891291 45
13586 298 H 36.2467 -1.0676 95.3633 0.00634114 0.000388564 0.0129975 45
13587 299 H 34.9991 0.158905 95.0382 -0.00449941 0.00308004 0.0041429 45
13588 300 H 36.4448 1.86424 96.3719 -0.0100185 0.0029738 0.00369857 45
13589 301 H 37.5221 0.471981 96.7082 -0.00165298 0.00272061 -0.0061946 45
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13591 1 C 39.7809 15.144 79.3739 -0.0030564 -0.00215481 0.00213738 46
13592 2 C 39.8149 14.9224 77.9681 0.00154865 0.00266974 0.00133986 46
13593 3 C 39.173 13.8465 77.3723 -0.00517987 0.000794813 0.0047614 46
13594 4 C 38.5049 12.9585 78.2446 0.000181092 -0.00142717 0.00154913 46
13595 5 C 38.4407 13.1298 79.6542 0.00130294 -0.000577971 -0.000553944 46
13596 6 C 39.0723 14.2718 80.2321 -0.00418906 -0.00235371 0.00153639 46
13597 7 C 33.843 11.8915 79.6237 0.00270443 0.00110497 0.000479656 46
13598 8 C 33.9446 11.9468 78.2238 0.000912132 0.00198172 0.00439772 46
13599 9 C 35.1683 11.9434 77.5953 -0.00157829 0.000141916 -0.00219972 46
13600 10 C 36.3372 11.8416 78.3599 -0.00235935 0.00165227 -0.00266587 46
13601 11 C 36.2792 11.8901 79.7766 -0.00192343 -0.000367731 0.00276326 46
13602 12 C 35.0226 11.9788 80.4171 0.00523486 0.00123316 -0.00417292 46
13603 13 C 39.5695 8.60632 80.1561 0.00278493 0.000953541 -0.0039303 46
13604 14 C 39.7061 8.51281 78.7523 -0.000195934 -0.00395835 -0.000831004 46
13605 15 C 39.1232 9.46634 77.9465 -0.000724867 -0.0014957 -0.00171667 46
13606 16 C 38.4383 10.5652 78.5318 0.000594722 -0.000159834 0.000114352 46
13607 17 C 37.7564 11.7125 77.7485 0.00200949 0.00281472 -0.00245221 46
13608 18 O 38.8454 9.81912 82.1221 0.000284899 0.00453507 0.000869195 46
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13610 20 O 39.1099 14.4852 81.6298 -0.000395753 0.00173681 0.00307706 46
13611 21 C 38.9338 9.69916 80.7553 -0.00107065 -0.00147378 0.002369 46
13612 22 C 37.7551 11.461 76.2978 -0.000102748 0.00121353 -0.00205287 46
13613 23 C 37.5772 11.1076 75.1453 0.000783071 -0.0032815 0.00448347 46
13614 24 C 37.171 10.5997 73.8848 0.00332053 -0.000888102 -0.00156153 46
13615 25 C 37.7566 9.42775 73.3403 -0.00361577 0.00149832 -0.00175919 46
13616 26 C 37.272 8.9269 72.0703 0.00672509 0.0044559 -0.000125329 46
13617 27 C 36.1849 9.56251 71.4506 -0.0033807 0.000928345 -0.00106171 46
13618 28 C 35.5376 10.6255 72.0786 -0.00240449 0.00220761 0.000773385 46
13619 29 C 36.0682 11.18 73.2588 -0.00105693 -0.00103158 0.000819028 46
13620 30 C 35.8842 9.21447 70.11 -0.000904738 0.00175662 0.00488145 46
13621 31 C 35.6983 9.07468 68.9052 0.00371262 0.00336534 0.00558423 46
13622 32 C 33.6186 5.68425 67.0173 0.00416056 -0.00456764 -0.00185459 46
13623 33 C 33.5542 5.60062 65.5922 0.00339321 0.00656665 -0.00106598 46
13624 34 C 34.2191 6.61874 64.8512 0.00518792 0.000457636 -0.00606708 46
13625 35 C 34.78 7.73038 65.5255 -0.00266903 -0.00145791 0.000595394 46
13626 36 C 34.7821 7.79771 66.9322 0.00121685 -0.00138778 0.00491598 46
13627 37 C 34.1708 6.76208 67.6864 0.000550739 -0.00286242 -0.00265833 46
13628 38 C 35.5768 8.96416 67.4583 0.000262029 6.2915e-05 0.00120593 46
13629 39 C 39.3541 8.94082 66.6365 0.00168291 0.00324245 0.00302567 46
13630 40 C 39.2842 8.97507 65.2328 -0.00302231 0.00205445 0.000642618 46
13631 41 C 38.0463 8.90622 64.5969 -0.000890851 -0.00843015 0.00134171 46
13632 42 C 36.9039 8.84157 65.3816 0.00296493 -0.000915686 0.00382174 46
13633 43 C 36.9554 8.89191 66.7789 0.00126747 -0.000798952 0.00154701 46
13634 44 C 38.2048 8.97336 67.415 0.00165057 -0.00145148 -0.00533132 46
13635 45 C 34.0409 12.4338 66.8201 0.00124257 0.000630827 0.000203803 46
13636 46 C 34.1008 12.4517 65.4064 0.00253009 0.00676584 -0.00167182 46
13637 47 C 34.5588 11.3186 64.7018 0.00198578 0.000546058 0.00183327 46
13638 48 C 34.9707 10.2003 65.4224 -0.000980209 0.00549192 0.00243906 46
13639 49 C 35.4747 8.89973 64.7959 0.00154529 0.000332238 -0.000925216 46
13640 50 C 35.0048 10.246 66.8119 0.00379866 -0.0020868 0.00406069 46
13641 51 C 34.4992 11.3253 67.522 -0.00154618 0.00433699 0.000533048 46
13642 52 O 37.9542 9.12596 63.2586 -0.00161981 0.000974447 -0.00613785 46
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13644 54 O 34.6434 11.3346 63.3193 -0.0011248 0.000750923 -0.00189214 46
13645 55 C 37.6717 11.9946 80.4257 -0.0058679 -0.00148749 -6.35925e-05 46
13646 56 C 38.4024 10.7237 79.9619 -0.00156745 -0.00168674 -0.00379521 46
13647 57 C 37.6252 8.05361 62.3623 0.00258407 -0.000667248 0.00271732 46
13648 58 C 36.7953 8.64652 61.2077 -0.00121768 -0.0034993 -0.00176954 46
13649 59 C 36.4635 7.63534 60.11 -0.00199392 0.000803587 -0.00137725 46
13650 60 C 35.5601 8.27969 59.0235 0.000601698 -0.00467172 0.00160449 46
13651 61 C 36.2336 9.20754 58.0495 0.00196964 0.00104252 0.00242313 46
13652 62 C 37.0699 8.42207 57.0134 0.00023741 0.00136751 -0.00395581 46
13653 63 C 37.0398 9.04778 55.5621 -0.00308342 -0.000883376 0.00310084 46
13654 64 C 35.6395 8.99978 54.9109 0.00142866 -0.000247816 -0.00200723 46
13655 65 C 35.6129 8.23394 53.5899 0.00571416 0.00305915 -0.00264672 46
13656 66 C 36.2269 8.93199 52.3909 0.000406204 -0.00182029 0.000745476 46
13657 67 C 35.9956 8.10616 51.1163 -0.00345391 -0.000804698 -0.00166756 46
13658 68 C 36.3813 8.89296 49.8284 0.000919479 0.00231786 0.00181158 46
13659 69 F 37.9085 7.84663 71.5363 0.00318536 0.000541549 0.00163344 46
13660 70 C 33.1328 6.65905 62.6673 -0.000748283 -0.00108961 -0.00238963 46
13661 71 C 32.7535 5.29488 62.0521 -0.00389583 0.00160164 0.00375187 46
13662 72 C 33.2476 5.04915 60.6135 0.00132462 -0.00277892 0.0029748 46
13663 73 C 32.7377 6.07995 59.5905 0.00080432 0.00267226 -0.00321708 46
13664 74 C 32.9567 5.78553 58.1222 0.00166137 -0.0013151 0.000417061 46
13665 75 C 32.6333 7.01832 57.2622 0.00451579 0.000131681 0.00198939 46
13666 76 C 31.903 6.68137 55.9093 -0.00190474 0.000837855 0.00129204 46
13667 77 C 32.7653 6.03039 54.8127 0.000872821 -0.00326289 -0.00305495 46
13668 78 C 31.9818 6.05038 53.4597 0.00177966 0.00182565 0.00220611 46
13669 79 C 32.7395 5.75334 52.1792 0.00149708 0.00132578 -0.00357583 46
13670 80 C 31.8209 5.89865 50.9107 -0.00212495 -3.75665e-05 -0.00259442 46
13671 81 C 32.5933 5.84848 49.581 0.0024882 0.00179815 -0.00171852 46
13672 82 C 35.7804 11.9418 62.6599 0.00318296 0.000613635 0.000640279 46
13673 83 C 35.4979 11.9506 61.1534 -0.000991604 0.00198801 -0.00343004 46
13674 84 C 36.5043 12.5811 60.18 0.00365675 0.00169252 0.002389 46
13675 85 C 35.9434 12.9097 58.792 0.00346581 0.0022453 0.000778507 46
13676 86 C 36.9466 12.8799 57.5903 -0.00244354 0.00228302 -0.000850987 46
13677 87 C 36.1106 12.8678 56.2346 0.00155446 0.00177933 0.000648327 46
13678 88 C 36.9637 13.0022 54.9791 0.00158599 0.00372016 0.00136084 46
13679 89 C 36.0575 12.9109 53.7065 1.13836e-05 0.000696335 -0.00172644 46
13680 90 C 36.8163 12.8589 52.3929 0.000652866 -0.00132792 0.000232031 46
13681 91 C 35.8751 12.8776 51.1692 0.00230476 -0.00344107 -0.00387702 46
13682 92 C 36.5298 12.724 49.7853 0.00244774 0.00122624 -0.00908536 46
13683 93 C 35.4485 12.7754 48.6601 -0.00124038 0.00474244 8.55104e-05 46
13684 94 C 33.653 11.9999 82.449 0.00322616 0.00336455 0.00116131 46
13685 95 C 33.793 12.3222 83.9509 0.00597372 0.00593304 -0.00277579 46
13686 96 C 32.5476 11.8207 84.7034 0.00455261 0.00256436 0.003766 46
13687 97 C 32.642 11.6885 86.22 0.00224409 0.00335795 0.00170856 46
13688 98 C 32.8452 13.02 86.936 -0.00333481 -0.00289748 0.00629173 46
13689 99 C 32.62 12.9135 88.4363 0.00067364 -0.00385108 -0.000757057 46
13690 100 C 33.5703 11.963 89.1912 9.70021e-05 0.00260445 0.00172916 46
13691 101 C 33.1016 11.6292 90.6211 0.00103578 0.00120702 -0.00554688 46
13692 102 C 33.6617 12.5769 91.7332 0.0024919 0.00348534 -0.00144737 46
13693 103 C 33.2316 12.0811 93.1213 -0.00307862 -0.00117315 0.00216792 46
13694 104 C 33.7529 12.8811 94.2851 0.00392014 -0.00409875 0.00549697 46
13695 105 C 33.0724 12.4447 95.5653 -0.00233267 -0.000897018 0.00155284 46
13696 106 C 39.5346 15.7795 82.1091 0.000392344 0.00164047 0.00205549 46
13697 107 C 39.7194 15.8075 83.6847 -0.00171508 0.000274078 0.00138975 46
13698 108 C 40.0468 17.2191 84.1818 -0.000303054 -0.00292579 0.000447272 46
13699 109 C 40.7462 17.445 85.5049 -0.0027466 -0.00263869 -0.00121335 46
13700 110 C 40.1319 16.7477 86.7421 0.00489573 0.00291995 0.00170258 46
13701 111 C 40.931 17.1297 87.9925 0.0032056 -0.00304951 0.00350627 46
13702 112 C 40.3005 16.5118 89.2499 -0.00172744 0.00173503 -0.000360194 46
13703 113 C 41.0312 16.9654 90.5276 -0.00107466 -0.000624736 0.00724945 46
13704 114 C 40.5154 16.5278 91.9031 0.00192514 -0.00024309 0.00229053 46
13705 115 C 41.3293 17.1428 93.0751 0.0022301 -0.00217704 0.00139739 46
13706 116 C 40.6761 16.9133 94.453 0.00310507 0.0031274 0.00256268 46
13707 117 C 41.4671 17.5621 95.5767 -0.000226035 -0.000512581 -0.00751692 46
13708 118 C 38.8864 8.74506 83.1135 -0.00290077 7.7162e-05 0.00136864 46
13709 119 C 40.2919 8.10648 83.3507 0.00158557 -0.000973801 0.00273533 46
13710 120 C 40.4278 7.33658 84.6803 -4.19405e-05 -0.00237787 0.00184417 46
13711 121 C 40.2106 8.07378 85.9834 0.00369339 0.0001434 0.00558686 46
13712 122 C 40.2771 7.1279 87.2305 -0.00164548 0.000792977 0.000421315 46
13713 123 C 40.2479 7.9894 88.5361 0.00574015 0.00399065 0.00149591 46
13714 124 C 39.9996 7.11739 89.7754 0.00302531 0.000401092 -0.00298449 46
13715 125 C 40.171 7.90433 91.0647 -0.000807047 -0.000897184 -0.00319196 46
13716 126 C 39.9936 6.96288 92.2939 0.0019399 -0.00312409 -0.0019122 46
13717 127 C 40.373 7.64063 93.6216 0.00122364 0.00291789 -0.0013242 46
13718 128 C 40.2752 6.61721 94.8158 0.00211268 0.000682241 0.0021112 46
13719 129 C 40.3772 7.35997 96.0961 0.000483779 0.00153724 -0.00404241 46
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13780 190 H 31.0277 6.04421 56.0861 -0.00613605 0.00325178 -0.0109474 46
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13783 193 H 33.1323 5.01514 55.0077 0.0171085 0.00168903 -0.00757806 46
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13785 195 H 31.5819 7.05603 53.2804 -0.00103705 0.000667348 0.00199748 46
13786 196 H 33.5886 6.44686 52.1413 0.00500043 -0.0021312 0.0111844 46
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13788 198 H 31.0596 5.10935 50.939 -0.0059075 0.00424992 0.0157229 46
13789 199 H 31.269 6.84641 50.9346 0.00826849 0.00616586 -0.00853558 46
13790 200 H 33.1286 4.89235 49.5291 0.00716147 0.00431567 6.95473e-05 46
13791 201 H 31.9339 5.95274 48.7105 -0.00221939 -0.000920939 0.00152494 46
13792 202 H 33.3408 6.65125 49.5681 -0.00502393 0.00889622 0.00441313 46
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13795 205 H 35.2723 10.9239 60.8396 0.00304571 -0.00135757 0.00461086 46
13796 206 H 34.5298 12.4476 61.0151 -0.00636244 -0.00751336 -8.96424e-05 46
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13799 209 H 35.1696 12.1658 58.5654 -0.000459798 0.00477858 0.00587949 46
13800 210 H 35.4133 13.8692 58.8345 0.00353567 0.00270545 -0.00886556 46
13801 211 H 37.5383 13.7988 57.6853 0.00330003 -0.000726495 -0.00778476 46
13802 212 H 37.5554 11.9699 57.6588 -0.00231938 0.00276826 0.00451203 46
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13804 214 H 35.3674 13.6743 56.2103 0.000677106 0.000994108 0.0014703 46
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13809 219 H 37.4615 13.7407 52.2947 -0.00160011 -0.000776248 -0.00975622 46
13810 220 H 37.4003 11.9322 52.3327 -0.00519138 -0.00369318 -0.0206248 46
13811 221 H 35.1822 12.0424 51.3295 0.0037006 -0.00390891 -0.0002428 46
13812 222 H 35.2624 13.7875 51.1597 -0.000104933 -0.0050605 -0.00373953 46
13813 223 H 37.2109 13.5758 49.6672 0.0029204 0.00237461 0.00183603 46
13814 224 H 37.122 11.802 49.7327 0.00987245 0.00582932 -0.0062101 46
13815 225 H 35.9342 12.7596 47.6766 0.00400234 -0.000292607 0.00275404 46
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13817 227 H 34.8418 13.6888 48.6898 -0.00565136 0.00180463 8.59936e-05 46
13818 228 H 32.9157 12.6837 82.0105 -0.000629369 -0.00838177 -0.0106601 46
13819 229 H 33.2469 10.9942 82.2845 -0.00217727 0.00264895 0.0189431 46
13820 230 H 34.7159 11.8547 84.3158 0.00764948 0.00725022 -0.00531722 46
13821 231 H 33.9307 13.3979 84.1163 0.0105943 0.00544737 -0.00344558 46
13822 232 H 31.6577 12.3816 84.3923 0.00388379 -0.00116893 -0.00108061 46
13823 233 H 32.3672 10.8076 84.323 -0.00405456 0.0086279 -0.0083142 46
13824 234 H 31.715 11.2032 86.5494 0.00131955 0.00124413 -0.00398485 46
13825 235 H 33.4611 10.9877 86.4233 0.00323416 0.00205286 -0.00671728 46
13826 236 H 33.8601 13.4013 86.7683 -0.00127797 -0.00120105 0.0223829 46
13827 237 H 32.0519 13.6945 86.591 -0.00610283 -0.00545967 0.0076236 46
13828 238 H 32.6321 13.9225 88.8666 -0.0087057 -0.00299002 -0.00249675 46
13829 239 H 31.596 12.5436 88.5706 -0.00106444 0.00347368 0.00614181 46
13830 240 H 33.5121 11.0266 88.6227 -0.0133054 -0.00454933 0.0148626 46
13831 241 H 34.5974 12.346 89.1492 0.00326989 -0.00612034 -0.000255268 46
13832 242 H 32.0072 11.5817 90.68 0.000654121 0.0173212 0.000386832 46
13833 243 H 33.4728 10.6208 90.8418 -0.0035741 0.000585182 -0.00065094 46
13834 244 H 34.7572 12.5693 91.6755 0.00151694 -0.0103817 -0.0184668 46
13835 245 H 33.3292 13.6055 91.5466 -0.0126527 0.000831829 0.0109964 46
13836 246 H 32.1349 12.1048 93.1126 -0.00304854 -0.000235891 0.000590799 46
13837 247 H 33.5712 11.0471 93.2586 -0.00294705 -0.00366872 -0.0169574 46
13838 248 H 34.8315 12.735 94.422 0.00523713 -0.00430855 -0.00519123 46
13839 249 H 33.5429 13.9455 94.1226 0.00596908 -0.00315454 0.00904632 46
13840 250 H 31.9991 12.6713 95.5752 -0.0015876 0.0017691 0.0240044 46
13841 251 H 33.1888 11.3616 95.6942 0.0012297 0.000477885 0.00982487 46
13842 252 H 33.5056 12.9843 96.4165 -0.0132005 0.00226844 0.00508664 46
13843 253 H 40.4921 16.0275 81.6347 0.000875277 -0.00704171 -0.00154391 46
13844 254 H 38.754 16.4666 81.7599 -0.00139334 0.00591686 0.0145193 46
13845 255 H 38.7867 15.4786 84.1595 0.000499139 -0.0197006 -0.00805914 46
13846 256 H 40.4619 15.0613 83.9933 0.0117227 0.00760583 -0.0133872 46
13847 257 H 40.6853 17.706 83.4343 -0.00692417 0.0173452 0.00797278 46
13848 258 H 39.1267 17.8163 84.1815 0.00889492 0.0112643 0.000962209 46
13849 259 H 41.7725 17.0735 85.3953 -0.0047003 -0.0101721 0.00599995 46
13850 260 H 40.9039 18.512 85.705 -0.000890277 -0.00605281 0.0156104 46
13851 261 H 39.0785 17.0227 86.8771 0.00369171 -0.00313714 0.00461766 46
13852 262 H 40.2416 15.6694 86.5729 0.00022922 0.00341436 -0.00447588 46
13853 263 H 41.9713 16.7861 87.9362 0.00527745 0.00475318 -0.005563 46
13854 264 H 40.9612 18.22 88.1097 -0.00316153 -0.00346591 0.00903068 46
13855 265 H 39.2383 16.7612 89.3637 -0.00514428 -0.00574826 -0.0159366 46
13856 266 H 40.2702 15.4152 89.2506 0.00520301 0.00156424 -0.00219301 46
13857 267 H 42.0801 16.652 90.4574 -0.00111805 0.000433342 0.00190539 46
13858 268 H 41.0357 18.0621 90.554 0.00188773 -0.000595001 0.00546784 46
13859 269 H 39.459 16.8107 91.9894 0.00658001 0.016862 0.00312431 46
13860 270 H 40.5665 15.4344 91.9761 -0.00885304 -0.000736805 0.00245927 46
13861 271 H 42.3325 16.7057 93.1519 -4.92669e-05 -0.00866779 -0.00600589 46
13862 272 H 41.4698 18.2161 92.8967 0.00700397 -0.00485041 -0.0109716 46
13863 273 H 39.6417 17.2781 94.4706 0.00192823 -0.000630936 0.0112106 46
13864 274 H 40.6563 15.8333 94.6446 0.00325997 0.00337302 0.00396235 46
13865 275 H 41.0057 17.2663 96.527 -0.00313516 0.00191371 -0.00817543 46
13866 276 H 42.5011 17.1959 95.5624 -0.0051011 -0.013883 -0.0179829 46
13867 277 H 41.4816 18.6571 95.5122 -0.0117857 0.000288107 0.00349083 46
13868 278 H 38.6779 9.19203 84.0933 -0.00333919 0.00305465 -8.87452e-05 46
13869 279 H 38.1091 8.00968 82.8717 -0.0107873 0.00731449 0.00465521 46
13870 280 H 41.0585 8.88211 83.2317 -0.000365725 -0.00255011 -0.0201883 46
13871 281 H 40.4868 7.32212 82.6089 0.00769339 0.00497752 -0.0019424 46
13872 282 H 41.4261 6.89154 84.7737 -0.00352273 -0.0109443 -0.00189646 46
13873 283 H 39.7133 6.50684 84.6131 0.0047671 -0.00738641 0.0129021 46
13874 284 H 39.2448 8.59387 85.9702 0.0111947 0.013747 -0.00915766 46
13875 285 H 40.9702 8.86292 86.0443 0.000484947 0.00442533 -0.00962454 46
13876 286 H 41.2226 6.57533 87.1656 0.00473018 0.0128696 -0.0101381 46
13877 287 H 39.4083 6.45869 87.2054 0.00597166 -0.0092555 0.00560535 46
13878 288 H 39.442 8.73092 88.4722 -0.00788433 -0.0105159 0.00513248 46
13879 289 H 41.1927 8.54121 88.6146 -0.000202799 0.0133417 0.00720958 46
13880 290 H 40.7142 6.28696 89.8313 -0.00599778 -0.00747708 -0.00452632 46
13881 291 H 39.0182 6.62727 89.7675 -0.00202272 0.0105093 -0.00141924 46
13882 292 H 39.4375 8.71581 91.1481 -0.00625369 -0.00511761 -0.0100401 46
13883 293 H 41.1879 8.31571 91.0622 -0.000917719 -0.000616518 -0.00161886 46
13884 294 H 40.6755 6.1168 92.1439 0.00837129 0.00481248 -0.0175399 46
13885 295 H 38.9853 6.53404 92.3467 -0.00739739 0.0204868 0.0110594 46
13886 296 H 39.654 8.45351 93.7818 0.00477802 0.00442466 0.00695703 46
13887 297 H 41.3864 8.0597 93.6485 -0.00387745 0.0150205 0.00238857 46
13888 298 H 41.004 5.80412 94.7101 0.00087665 0.00211166 -0.0177336 46
13889 299 H 39.2871 6.14431 94.7563 0.00422052 -0.0040265 0.00463937 46
13890 300 H 39.5487 8.0666 96.2289 -0.0104081 -0.0126524 0.00355302 46
13891 301 H 41.306 7.94018 96.1598 -0.00482743 0.00982608 -0.001927 46
13892 302 H 40.34 6.69724 96.9694 0.00817509 0.0217977 0.0117177 46
13893 1 C 43.5551 8.46644 79.6638 -0.000108374 0.00158192 0.00163376 47
13894 2 C 43.5674 8.38275 78.2436 0.00209122 0.00295776 -0.000307522 47
13895 3 C 42.9452 7.2809 77.6203 -0.00372682 -0.00254457 0.00085902 47
13896 4 C 42.3499 6.28598 78.4144 0.00506961 0.00233414 0.000127332 47
13897 5 C 42.3514 6.35532 79.8331 -0.00690441 0.0028954 0.000325177 47
13898 6 C 42.9468 7.49516 80.4884 -0.00218068 0.000923926 0.00306248 47
13899 7 C 37.8016 5.12232 79.7376 0.00899784 -0.00205576 0.000987577 47
13900 8 C 37.8293 5.00296 78.3462 0.00462516 -0.00549766 0.00344259 47
13901 9 C 39.0811 5.04308 77.6744 -0.000807884 0.00233257 -0.00135131 47
13902 10 C 40.2582 5.05449 78.4378 -0.00298426 -0.000212062 0.00179272 47
13903 11 C 40.2258 5.12803 79.8691 0.000843831 -0.00292645 0.00331991 47
13904 12 C 38.9684 5.19161 80.5482 -0.00220177 -0.00184291 -0.005114 47
13905 13 C 43.5155 1.73475 79.8759 -0.00105037 0.00145168 0.000654657 47
13906 14 C 43.5848 1.74684 78.4909 0.000839501 -0.00497899 0.00184696 47
13907 15 C 42.9946 2.81514 77.7762 -0.00550841 -4.96471e-05 -0.00204863 47
13908 16 C 42.3866 3.89304 78.5126 -0.000912512 -0.00142405 0.00250137 47
13909 17 C 41.6575 5.04573 77.8663 0.00165566 -0.00124996 0.00201565 47
13910 18 O 42.8742 2.63883 82.0028 -0.000548961 0.000498814 -0.000954338 47
13911 19 O 38.8034 5.30908 81.9434 -0.000739748 -0.00259355 0.00130436 47
13912 20 O 42.9697 7.69409 81.8988 -0.000879274 0.00060921 -0.00531587 47
13913 21 C 42.9044 2.77437 80.6116 -0.00186723 -0.00435857 -0.00309892 47
13914 22 C 41.6714 4.94191 76.3877 0.000848828 0.000257434 -0.00115395 47
13915 23 C 41.5316 4.73913 75.2168 0.00164249 -0.00109708 0.0015182 47
13916 24 C 41.1867 4.31779 73.901 -0.00300627 -0.00040368 0.000225013 47
13917 25 C 41.5084 2.99543 73.5269 0.00298029 -0.00197407 -0.00235689 47
13918 26 C 41.1032 2.52664 72.2862 -0.000258926 0.00399071 -0.00297882 47
13919 27 C 40.2919 3.29153 71.4583 0.00150457 -7.33528e-05 0.00302098 47
13920 28 C 40.0152 4.60118 71.8214 -0.00124182 -0.00135584 -0.00199752 47
13921 29 C 40.41 5.14091 73.0771 -0.0038746 -0.00088069 0.00222382 47
13922 30 C 39.8984 2.81276 70.1655 0.00208363 0.00353641 -0.00541842 47
13923 31 C 39.5607 2.52825 69.04 -0.0024393 0.0032917 0.00306457 47
13924 32 C 37.8897 -1.21088 67.3696 -0.00565518 0.00270715 0.000434343 47
13925 33 C 37.8277 -1.33136 65.9694 -0.000955502 0.000281519 -0.0026627 47
13926 34 C 38.2697 -0.249071 65.1605 0.000851937 -0.000589227 -0.000345996 47
13927 35 C 38.7128 0.93852 65.726 0.0038427 -0.00162915 0.00246285 47
13928 36 C 38.8047 1.04995 67.1195 -0.00117327 -0.000661059 -0.000110299 47
13929 37 C 38.3682 -0.0268516 67.9269 -0.00198086 0.00530941 0.00137182 47
13930 38 C 39.4467 2.34852 67.5575 0.00546822 -0.00108157 0.00303279 47
13931 39 C 43.2116 2.35144 66.733 -0.00202059 -0.0016404 0.0010105 47
13932 40 C 43.1629 2.35597 65.3265 -0.00237663 -0.00379641 0.000664271 47
13933 41 C 41.9045 2.37648 64.7078 -0.000282984 -0.001503 -0.00103269 47
13934 42 C 40.7327 2.32009 65.474 0.00306243 0.00256691 0.000206981 47
13935 43 C 40.8063 2.3551 66.8808 0.00121346 0.00120217 -0.00113498 47
13936 44 C 42.0389 2.37405 67.5073 0.000169607 -0.00101605 0.000194605 47
13937 45 C 37.3701 5.52334 66.6568 0.0050481 -0.00117065 0.00119669 47
13938 46 C 37.4105 5.41968 65.2536 -0.00357091 0.00239087 -0.00460447 47
13939 47 C 38.0365 4.34531 64.6233 -0.00291642 -0.000988309 -0.00148707 47
13940 48 C 38.6157 3.36439 65.4431 0.00277118 -0.000750838 -0.00176653 47
13941 49 C 39.311 2.12028 64.9355 -0.00257037 0.00577694 0.000833447 47
13942 50 C 38.6736 3.49632 66.8438 -0.000514907 -0.00131565 0.000254685 47
13943 51 C 37.9967 4.56418 67.4828 0.000487558 0.000122054 0.00184756 47
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14301 107 C 47.8078 16.2169 83.2037 0.00136086 -6.03298e-05 0.00109384 48
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14310 116 C 48.8368 16.1324 94.2174 -0.000914495 0.000781876 0.00173408 48
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14313 119 C 47.4252 7.91422 83.7927 0.00384157 0.000890608 -0.000742146 48
14314 120 C 48.4771 7.09405 84.5877 -0.000141099 -0.00422266 -0.00235045 48
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14321 127 C 48.3009 6.26512 92.9746 0.000411722 -0.000868658 -0.00165206 48
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15211 111 C 12.3961 24.0601 87.6616 -0.00218628 -0.000438489 -0.00043447 51
15212 112 C 12.8224 23.0447 88.7652 -0.00176591 -0.000486035 -0.00213205 51
15213 113 C 13.5308 23.7708 89.9734 0.00400823 -0.00395931 -5.46917e-05 51
15214 114 C 13.4773 22.908 91.2497 -0.00432387 0.00287524 0.000425025 51
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15217 117 C 13.7406 23.9497 95.0301 -0.000418368 -0.000895364 0.00142642 51
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15219 119 C 12.5427 15.5311 84.4056 -0.000369221 -0.00113561 -0.00163062 51
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15335 235 H 3.90409 19.9384 86.1321 0.00916535 0.0109189 0.0107195 51
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15340 240 H 4.50976 20.4562 88.352 -0.0179255 -0.00174871 -0.00665021 51
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15342 242 H 6.17286 20.3793 90.3492 4.04649e-06 0.000431069 0.00808254 51
15343 243 H 4.50905 20.7286 90.6669 0.00150704 0.000418395 0.00170342 51
15344 244 H 4.05715 18.4582 91.5059 0.000311138 -0.0017612 0.00692172 51
15345 245 H 5.774 18.0278 91.1692 0.00404371 0.0026719 0.00370262 51
15346 246 H 6.57691 19.709 92.7687 -0.00248363 0.0141466 0.0107269 51
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15348 248 H 4.27708 18.0708 93.9637 0.00899139 -0.0162349 0.0186331 51
15349 249 H 5.89818 17.4904 93.7891 -0.00576898 -0.00380912 -0.00055866 51
15350 250 H 4.96899 19.9456 95.4165 0.0100629 0.000940508 -0.00803856 51
15351 251 H 5.14323 18.2996 96.0614 -0.00722374 -0.00248778 -0.000800251 51
15352 252 H 6.59267 19.2757 95.5623 0.00649065 -0.0112864 0.000490941 51
15353 253 H 10.9754 23.1161 81.8107 -0.0163942 -0.0195098 -0.00902756 51
15354 254 H 10.9978 22.2372 83.3009 -0.0124108 0.00163986 -0.0104055 51
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15356 256 H 13.3324 23.3802 81.7599 -0.00458526 0.018818 0.00956683 51
15357 257 H 14.2063 24.0679 83.9424 -0.00392586 0.0215739 0.00957827 51
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15359 259 H 11.6326 23.0983 85.3003 -0.00339667 -0.000712731 -0.00708802 51
15360 260 H 13.0601 22.0848 85.3928 0.00850662 0.00430746 -0.00721802 51
15361 261 H 14.2703 23.9402 86.539 0.000755826 -0.00172963 -0.00218902 51
15362 262 H 13.1118 25.1115 85.9985 -0.00478945 0.00410257 0.009109 51
15363 263 H 12.4658 25.0575 88.113 0.0157078 -0.00461015 0.00603838 51
15364 264 H 11.3279 23.9552 87.4351 -0.00148884 -0.00590727 -0.0011673 51
15365 265 H 11.9244 22.5076 89.0944 -0.000714614 -0.0046392 -0.00602788 51
15366 266 H 13.4613 22.2616 88.3386 -0.0129068 -0.0121592 0.00261028 51
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15368 268 H 12.9638 24.6883 90.174 0.0128295 0.000617195 0.00386306 51
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15370 270 H 13.9122 21.9128 91.0953 0.007378 0.00717215 0.00585064 51
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15372 272 H 13.8728 24.7256 92.3483 0.00191572 0.00188468 0.000970973 51
15373 273 H 12.3433 23.2316 93.6254 -0.00799926 -0.00938344 0.00689829 51
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15375 275 H 13.3343 24.9679 94.9889 -0.00547377 -0.00378745 -0.0202234 51
15376 276 H 13.2401 23.4221 95.8515 -0.00859758 0.00631981 0.00107519 51
15377 277 H 14.8211 23.9967 95.2136 -0.00144679 -0.00421124 0.00830252 51
15378 278 H 11.4327 14.5692 82.801 -0.00202022 0.00307108 -0.00799267 51
15379 279 H 13.1411 14.9045 82.4577 0.000573133 -0.0111108 0.0115667 51
15380 280 H 11.6572 15.7799 85.0034 0.000389005 -0.0133012 0.00457925 51
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15382 282 H 14.0888 14.0334 84.6308 -0.00158804 -0.00152227 -0.00997051 51
15383 283 H 12.4148 13.4697 84.976 0.0032915 -0.00246848 0.00484494 51
15384 284 H 14.1432 15.2453 86.7194 -0.00539815 -0.00291969 0.0249546 51
15385 285 H 13.8391 13.5084 86.9714 0.00153689 -0.00387499 0.00272733 51
15386 286 H 11.314 14.069 87.0536 0.00842968 -0.00626681 -0.00907785 51
15387 287 H 11.8692 15.7473 87.2653 -0.0105767 0.000466396 -0.00439682 51
15388 288 H 12.7196 13.4171 89.0267 -0.00794745 -0.00541997 -0.00853092 51
15389 289 H 11.3251 14.3878 89.3654 5.16667e-05 0.00956574 -0.00537217 51
15390 290 H 12.9441 16.3793 89.5609 0.00727796 0.00280078 0.00196349 51
15391 291 H 14.243 15.3369 89.0329 -0.00202428 0.0246796 -0.00576551 51
15392 292 H 14.5045 15.466 91.3191 0.00502797 -0.00814387 -0.00493423 51
15393 293 H 13.703 13.9041 91.0832 -0.00260037 -0.000156806 -0.0125907 51
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15396 296 H 12.6754 14.008 93.5831 -0.00866169 -0.00317141 0.000912377 51
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15399 299 H 14.9211 15.0362 93.6115 0.00875022 0.00537185 0.00446425 51
15400 300 H 13.944 14.3354 95.9228 0.00413142 0.00136254 0.0143448 51
15401 301 H 13.4858 16.0573 96.1491 0.000637279 -0.00641852 0.00824627 51
15402 302 H 15.1916 15.607 96.0065 0.00233493 -0.0139141 0.0022995 51
15403 1 C 16.2933 28.8691 79.6669 -0.00431173 0.00140206 -0.00192483 52
15404 2 C 16.3655 28.7434 78.2961 0.00325349 0.00128806 0.0029661 52
15405 3 C 15.7625 27.6769 77.6803 0.00595152 -0.00285736 -0.000516506 52
15406 4 C 15.1165 26.6816 78.4419 -0.00644388 -0.00244 7.54327e-05 52
15407 5 C 15.1016 26.7253 79.8456 0.00252889 -0.000701072 -0.00068697 52
15408 6 C 15.6592 27.9004 80.4606 -0.00233794 0.000976347 -0.00515271 52
15409 7 C 10.496 25.7633 79.8164 -0.00215624 -0.00436065 -0.000676249 52
15410 8 C 10.5611 25.6476 78.4093 -0.0045309 0.00187222 -0.00302511 52
15411 9 C 11.8203 25.5598 77.7908 0.000684178 -0.0011759 -0.000967179 52
15412 10 C 12.9953 25.5392 78.5262 0.00334212 0.00198025 -0.000404773 52
15413 11 C 12.9277 25.5766 79.937 0.00381901 -0.00595702 -0.0045676 52
15414 12 C 11.6701 25.6723 80.6164 -0.00151728 0.0017708 0.000451619 52
15415 13 C 16.3544 22.2309 79.8821 -0.00256098 -0.00115689 0.00118275 52
15416 14 C 16.3531 22.2575 78.4853 0.00198611 -0.00483689 0.00146337 52
15417 15 C 15.701 23.2882 77.7653 0.00119092 0.00161865 0.00284713 52
15418 16 C 15.0268 24.2656 78.541 0.00404842 -0.00539028 -0.00118952 52
15419 17 C 14.3717 25.4949 77.8703 0.000630886 0.00201223 0.00103301 52
15420 18 O 15.8575 23.2467 82.0046 7.83182e-06 -0.0014374 0.000791896 52
15421 19 O 11.5738 25.6909 82.0234 -0.00295358 -0.00151849 -0.00270188 52
15422 20 O 15.5622 28.0917 81.8574 0.00275981 -0.000329494 -0.00213093 52
15423 21 C 15.7311 23.2513 80.6238 -0.00388095 0.00210484 -0.00364931 52
15424 22 C 14.3495 25.4203 76.3976 -0.00230313 0.00753982 0.00471082 52
15425 23 C 14.1936 25.1508 75.2219 0.00238741 0.00394813 0.000474959 52
15426 24 C 13.9313 24.7005 73.8876 -0.000390153 0.000234716 0.000873886 52
15427 25 C 13.5115 25.6204 72.917 0.00237883 0.0014189 0.00346862 52
15428 26 C 13.1167 25.1735 71.6438 -0.000582363 0.00210815 -0.00322347 52
15429 27 C 13.1733 23.7828 71.3606 -0.000381329 -0.00186645 -0.00208841 52
15430 28 C 13.5696 22.8485 72.3238 -0.00274198 -0.00409485 -0.002268 52
15431 29 C 14.0099 23.3021 73.604 -0.00312938 -0.00116786 6.83289e-05 52
15432 30 C 12.7547 23.3007 70.0649 -0.000873603 0.00251646 0.00292651 52
15433 31 C 12.4482 22.9968 68.9193 0.00359637 0.00535003 0.000332299 52
15434 32 C 10.1744 19.4137 67.4559 -0.0035367 0.00520957 -0.00476716 52
15435 33 C 10.1853 19.2309 66.062 -0.000274722 -0.00205261 0.000568735 52
15436 34 C 10.7003 20.2009 65.1644 -0.00399555 0.000236835 -0.00235394 52
15437 35 C 11.3024 21.3507 65.671 -0.00183298 0.00126555 0.00228276 52
15438 36 C 11.4013 21.5059 67.0813 -0.00155626 0.00407139 -3.75287e-06 52
15439 37 C 10.8215 20.5521 67.959 -0.0033904 0.00133738 0.00117733 52
15440 38 C 12.2276 22.7271 67.4976 -0.00472605 0.000312681 0.000811112 52
15441 39 C 15.9745 22.6137 66.4696 -0.00244901 -0.00137618 0.00241466 52
15442 40 C 15.8555 22.4303 65.0787 -0.00435352 -0.00135637 0.00212582 52
15443 41 C 14.5586 22.3317 64.4966 0.00382727 -0.00193783 0.000215529 52
15444 42 C 13.4236 22.4646 65.3369 0.00108432 -0.0014414 0.000874617 52
15445 43 C 13.5881 22.6209 66.7345 0.00108584 -0.00197892 -0.0033711 52
15446 44 C 14.8564 22.6861 67.2893 0.000940007 0.000855629 0.00141036 52
15447 45 C 10.1851 25.939 66.661 0.0032778 -0.000874484 0.000105259 52
15448 46 C 10.2609 25.8663 65.2777 -0.000400291 0.00160449 -0.00243682 52
15449 47 C 10.8216 24.7592 64.6557 -0.000164158 0.00157874 0.00171788 52
15450 48 C 11.4146 23.7893 65.4084 -0.00802974 -0.00415737 -0.00379792 52
15451 49 C 12.0129 22.4938 64.8599 -0.00351963 -0.00353726 0.00112897 52
15452 50 C 11.5074 23.8943 66.8188 0.000644916 -0.00233369 -0.00284883 52
15453 51 C 10.8183 24.9568 67.4249 6.94856e-05 -0.0011856 -0.00191074 52
15454 52 O 14.3689 22.3174 63.1146 -0.000957553 -0.00100466 0.00380084 52
15455 53 O 10.6878 20.0494 63.7971 -0.00313801 -0.00231757 -0.00103037 52
15456 54 O 10.9008 24.7715 63.2662 -0.0011534 -0.0041079 -0.00107288 52
15457 55 C 14.3656 25.5635 80.5342 -0.000980939 -0.00332929 0.00115076 52
15458 56 C 15.0438 24.2965 79.9599 -0.00018129 5.65739e-05 -0.00115707 52
15459 57 C 13.6388 21.3418 62.4026 -0.00440468 0.00475145 0.00152491 52
15460 58 C 12.8352 22.0527 61.2639 -0.00199112 0.00293099 0.000523218 52
15461 59 C 12.9134 21.3656 59.873 -0.000973366 -0.00108661 0.0030776 52
15462 60 C 12.3402 22.2185 58.7318 -0.00169999 -0.00413837 -0.000774984 52
15463 61 C 12.5561 21.4559 57.4161 0.00176925 -0.00213902 0.00163261 52
15464 62 C 11.9488 22.2413 56.2541 0.00370674 -0.00178567 0.00573355 52
15465 63 C 12.1628 21.4188 54.9794 0.00789899 0.00180474 0.000923617 52
15466 64 C 11.6528 21.9942 53.6524 -0.00430672 0.00175724 0.000330147 52
15467 65 C 12.1933 21.127 52.4976 -0.00111864 0.00146589 0.000246571 52
15468 66 C 11.553 21.6157 51.1738 0.00145253 4.42183e-05 -0.000568781 52
15469 67 C 12.1021 20.9471 49.9053 -0.00176847 -0.0055005 -0.00652948 52
15470 68 C 13.5207 21.3846 49.5709 0.000337384 -0.000656543 -0.000708847 52
15471 69 F 12.7583 26.0848 70.7245 0.000728747 0.00392311 0.000840814 52
15472 70 C 9.73164 19.2742 63.0741 -0.000970211 0.00386087 0.000982569 52
15473 71 C 9.91625 19.7925 61.6539 0.00390203 -0.0070302 0.00470213 52
15474 72 C 9.04618 19.2335 60.4993 -0.00282514 -0.00370086 -0.0014895 52
15475 73 C 9.55044 19.7372 59.1162 -0.00148289 -0.000467897 -0.00169852 52
15476 74 C 8.68351 19.2271 57.9675 0.00293451 0.00194704 0.00469209 52
15477 75 C 9.18567 19.7404 56.5686 -0.000841447 0.00688062 0.00105716 52
15478 76 C 8.39475 19.0505 55.4391 -0.000101943 -8.7103e-05 0.00489534 52
15479 77 C 8.81928 19.4898 54.0183 -0.00324961 0.0024132 -0.00265259 52
15480 78 C 7.95307 18.8156 52.8992 -0.00206012 0.00035728 0.000942429 52
15481 79 C 8.26676 19.2097 51.4445 0.00233354 -0.00228506 -0.00401732 52
15482 80 C 9.49598 18.4773 50.8426 0.00112097 -0.00200015 -0.000952089 52
15483 81 C 9.54171 18.6427 49.3053 -0.000680241 0.00247358 -0.000627595 52
15484 82 C 12.0057 25.3711 62.6354 0.00264057 -0.000787312 -0.000918026 52
15485 83 C 11.7222 25.498 61.0676 -0.000205932 -0.000119877 -0.00133365 52
15486 84 C 12.792 26.2955 60.2866 -0.00048425 0.00332764 -0.000511684 52
15487 85 C 12.4025 26.8212 58.8394 -0.00729427 -0.00116718 -0.00122775 52
15488 86 C 12.4736 25.8205 57.6533 0.00296862 0.00339241 0.00592286 52
15489 87 C 12.2605 26.6705 56.377 0.0028228 -0.00388143 0.000388301 52
15490 88 C 12.358 25.8267 55.0919 -0.00160177 0.00141037 0.0026221 52
15491 89 C 12.1892 26.666 53.8271 0.00173856 0.00363828 -0.00221414 52
15492 90 C 12.2049 25.8324 52.5575 0.000789203 -0.000502719 2.34161e-05 52
15493 91 C 12.0611 26.7805 51.3036 0.000904136 -0.000442625 -0.00389281 52
15494 92 C 11.7799 26.0023 50.0001 0.00101892 -0.00185406 -0.00354946 52
15495 93 C 12.9736 25.1048 49.6217 -0.0029789 0.00108245 0.000440616 52
15496 94 C 10.2508 25.7651 82.6543 -0.00011568 0.000982691 0.00231841 52
15497 95 C 10.1356 25.3256 84.1337 0.00200051 -0.00288217 -0.000942366 52
15498 96 C 8.73499 25.678 84.7084 -0.000656319 0.000183263 0.00193339 52
15499 97 C 8.6603 25.2992 86.2103 -0.0010878 0.000419419 -0.00339819 52
15500 98 C 9.42444 26.2522 87.1807 0.00220598 0.00303563 -0.00176975 52
15501 99 C 8.97177 26.1369 88.64 -0.00108547 -0.00401221 0.00121557 52
15502 100 C 10.0709 25.6621 89.6243 -9.00513e-05 -0.00148411 0.00130678 52
15503 101 C 9.76749 25.8239 91.1095 5.64194e-06 0.00180267 -5.19593e-05 52
15504 102 C 10.8559 25.4179 92.1259 0.00162831 0.00127492 -0.00298779 52
15505 103 C 10.7625 26.0528 93.5233 -0.00399734 -0.00209169 -0.00203404 52
15506 104 C 9.92173 25.3308 94.5851 -0.00156764 -0.000870313 0.00314715 52
15507 105 C 10.1595 25.8272 96.0423 -0.00178784 0.000341858 0.000457734 52
15508 106 C 15.4964 29.3961 82.503 0.00297267 0.000213399 0.00209713 52
15509 107 C 16.8531 29.9068 82.9078 0.00042673 -0.00611914 -0.000686575 52
15510 108 C 16.9752 30.9068 84.0904 -0.000968725 -0.00104979 -0.00182813 52
15511 109 C 16.4114 30.4535 85.4528 0.000274649 -0.000743524 0.000552968 52
15512 110 C 16.9224 31.305 86.6742 0.00182047 0.00418923 0.00531608 52
15513 111 C 16.2939 30.8543 88.0053 -0.000430954 0.0003107 -0.00335854 52
15514 112 C 17.117 31.3151 89.272 0.00260716 -0.000870525 -0.000891935 52
15515 113 C 16.7 30.603 90.5959 -0.000956892 -0.00070728 -0.000402778 52
15516 114 C 17.5257 31.0296 91.8244 -0.00552189 0.000589795 -0.00391627 52
15517 115 C 16.9852 30.3455 93.0531 -0.000355491 -0.00244202 0.00234716 52
15518 116 C 17.8865 30.6731 94.2558 0.000844085 0.000412859 -0.00496934 52
15519 117 C 17.3823 30.1279 95.5949 -0.00263549 0.0022612 -0.00298014 52
15520 118 C 16.2971 22.0526 82.7816 -9.8781e-05 -0.00424925 0.00454516 52
15521 119 C 16.1377 22.1875 84.309 0.000146665 -0.00200463 0.000887146 52
15522 120 C 17.1129 21.3197 85.1529 -0.00103263 -0.000252449 -0.000330745 52
15523 121 C 17.2922 21.7636 86.5998 -4.47308e-05 0.0018863 -0.00599161 52
15524 122 C 16.1997 21.3845 87.5858 0.00589798 -6.3498e-05 -0.000251457 52
15525 123 C 16.4804 21.854 89.0379 -0.00227346 -0.000417853 -0.00192255 52
15526 124 C 17.8069 21.3561 89.6141 -0.000505084 0.00348183 0.00570789 52
15527 125 C 18.0169 21.6367 91.1438 0.00374503 0.00075256 0.00233767 52
15528 126 C 17.0181 20.8863 92.0424 0.00175054 -0.000367491 0.00212864 52
15529 127 C 17.577 20.6399 93.4607 0.00420816 -0.00210124 0.00479893 52
15530 128 C 17.4437 21.8715 94.3825 0.00528567 0.00308504 0.000576952 52
15531 129 C 18.0929 21.6097 95.7537 -0.00221141 7.16333e-05 0.00198726 52
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15637 235 H 8.99951 24.2597 86.2985 -0.000569361 0.00158319 0.00812554 52
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15654 252 H 9.52584 25.2497 96.7268 -0.00729578 0.00905727 0.00269913 52
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15660 258 H 16.5856 31.8984 83.8288 0.00769508 0.00554456 0.0101674 52
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15665 263 H 15.228 31.1036 88.0766 0.00340347 0.014148 0.00545628 52
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15667 265 H 18.1861 31.1324 89.1081 0.00223752 -0.00668633 0.00319987 52
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15670 268 H 16.7218 29.5149 90.4582 0.00268162 -0.000135991 -0.00435894 52
15671 269 H 18.5909 30.8569 91.6274 -0.00954057 -0.00308286 -0.0225696 52
15672 270 H 17.414 32.1145 91.9424 0.00111666 0.00187225 -0.00935086 52
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15688 286 H 16.0836 20.2995 87.4728 0.00966549 0.000820419 -0.0129893 52
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15692 290 H 18.577 21.9164 89.0697 0.00996726 -0.00750391 0.00928149 52
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15696 294 H 16.9137 19.9098 91.5535 -0.00465954 -7.06933e-05 0.0029318 52
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15701 299 H 17.9374 22.7556 93.9608 -0.000828729 0.00662585 0.000833067 52
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15705 1 C 20.2321 22.1648 79.053 0.00219832 0.000521479 0.00263128 53
15706 2 C 20.3378 22.0168 77.6613 0.00412723 0.000931603 -0.000961831 53
15707 3 C 19.711 20.9131 77.0488 0.000533029 0.00608272 0.00123943 53
15708 4 C 19.0124 20.0098 77.9004 0.000880879 0.00216424 0.00201857 53
15709 5 C 18.9418 20.145 79.285 0.0033688 0.00376005 0.00153225 53
15710 6 C 19.5429 21.2583 79.882 -0.00201197 -0.00302696 -0.00187675 53
15711 7 C 14.412 18.829 79.1887 -1.57945e-05 -0.00221481 0.00231855 53
15712 8 C 14.5132 18.7249 77.8006 -0.00343895 6.24583e-06 0.00489278 53
15713 9 C 15.7345 18.6203 77.1505 0.00176408 0.00454253 0.00139512 53
15714 10 C 16.886 18.763 77.9239 -0.00306613 -7.79933e-05 -0.00130785 53
15715 11 C 16.8195 18.8498 79.3483 0.00135694 0.00039431 0.00184312 53
15716 12 C 15.5614 18.936 79.9914 -0.00124079 0.00348956 0.00179078 53
15717 13 C 20.2368 15.5611 79.4878 7.14038e-05 -0.000728186 0.000582677 53
15718 14 C 20.2482 15.5269 78.0485 -0.00185235 -0.00201728 0.00233122 53
15719 15 C 19.6823 16.5705 77.3344 0.000788841 -0.00184249 -0.000895462 53
15720 16 C 19.0344 17.5913 78.038 0.00154419 -0.00131569 -0.00786724 53
15721 17 C 18.3225 18.7797 77.3715 -0.000359768 -0.00431114 0.00190804 53
15722 18 O 19.8085 16.6713 81.5981 0.000122 0.000850838 -0.00190813 53
15723 19 O 15.4871 19.016 81.3858 -0.000626982 0.00601614 0.000913574 53
15724 20 O 19.521 21.4487 81.2582 -0.00386597 -0.000130203 0.00132672 53
15725 21 C 19.7371 16.6671 80.2162 -0.00275053 0.00357824 -0.00175724 53
15726 22 C 18.2562 18.6736 75.9442 0.00156381 0.00109929 -0.000720781 53
15727 23 C 18.1758 18.3984 74.7781 0.00136719 -0.000609355 -0.0020876 53
15728 24 C 17.9149 17.9958 73.4229 0.00359128 -0.00150063 -0.000199135 53
15729 25 C 17.2305 18.8334 72.5229 0.000904549 0.00206391 -0.00529193 53
15730 26 C 16.8415 18.2932 71.2719 0.00440597 0.00066311 -0.00455215 53
15731 27 C 17.1191 16.9587 70.9744 -0.000932091 0.0037207 -0.000597866 53
15732 28 C 17.8571 16.1588 71.8461 0.00230028 0.000337807 0.000929998 53
15733 29 C 18.2303 16.6697 73.0961 -9.01912e-05 0.00127479 -0.000736588 53
15734 30 C 16.7644 16.3707 69.7143 0.000906965 0.00176564 -0.000508186 53
15735 31 C 16.4814 16.0244 68.5998 -0.00199769 -0.00117305 -0.000864034 53
15736 32 C 14.7122 12.3702 66.9665 -0.00459098 -0.00304954 0.00365417 53
15737 33 C 14.7609 12.195 65.5552 -0.00455348 0.000940859 -0.000612666 53
15738 34 C 15.1978 13.2554 64.7412 -0.00109784 0.00120356 -0.002609 53
15739 35 C 15.6027 14.4448 65.3388 -0.00211836 -0.00138179 -0.00162867 53
15740 36 C 15.6782 14.5317 66.7507 0.00126355 -0.00303309 -0.00133843 53
15741 37 C 15.206 13.5199 67.5731 -0.00398099 -0.002143 -0.00217211 53
15742 38 C 16.329 15.8153 67.1824 0.000151149 -0.00375456 -0.0019569 53
15743 39 C 20.0588 15.6598 66.1947 0.00136625 -0.00139889 0.00217299 53
15744 40 C 19.94 15.6456 64.7996 0.00244413 4.24987e-05 -0.00209691 53
15745 41 C 18.6869 15.6866 64.2235 0.00118623 -0.0036327 -0.000215276 53
15746 42 C 17.5509 15.7214 65.0139 -0.00260205 -0.00103021 -2.11888e-05 53
15747 43 C 17.689 15.7958 66.4092 0.00280724 -0.00334754 -0.00112819 53
15748 44 C 18.9502 15.6919 67.0333 -0.000909755 -0.0053253 -0.00535358 53
15749 45 C 14.1864 18.9591 66.4625 -0.000654021 -0.00415599 -0.00117003 53
15750 46 C 14.1855 18.9085 65.0577 2.5412e-05 0.0031262 0.00405465 53
15751 47 C 14.7975 17.8765 64.3624 0.00259297 0.00351248 -0.0017629 53
15752 48 C 15.4007 16.8678 65.1072 0.000441272 -0.00881977 0.000776034 53
15753 49 C 16.1232 15.6324 64.522 -0.00377262 0.00286419 -0.00072169 53
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15760 56 C 19.0285 17.6704 79.4577 0.0022543 -1.97089e-05 0.00357943 53
15761 57 C 18.1688 16.8991 62.2485 -0.000349138 -0.00440102 -0.000431924 53
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15763 59 C 18.6312 16.2818 59.7684 0.00255229 0.000874471 0.00062537 53
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15765 61 C 16.9242 14.8081 58.3558 -0.00164092 -0.00598761 0.00502107 53
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15767 63 C 17.2882 14.5118 55.8772 -2.50326e-05 0.000433523 0.00023762 53
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15772 68 C 17.2303 15.1233 49.4554 0.00027021 -0.00438841 -0.00109733 53
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15795 91 C 12.9681 17.1974 51.7984 -0.00403577 -0.000482652 0.000586376 53
15796 92 C 14.1431 16.6753 50.9828 0.00604161 0.000264367 0.000824813 53
15797 93 C 14.0152 17.1437 49.5548 0.00138851 -0.0026409 -0.00353817 53
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15799 95 C 14.0757 18.9855 83.4436 0.00049723 0.00252223 4.35074e-06 53
15800 96 C 12.6378 19.3785 83.9677 -0.00170029 0.00181189 -0.00220935 53
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15802 98 C 13.3055 19.2333 86.5102 0.00475258 9.47557e-05 0.00127412 53
15803 99 C 12.6218 19.0138 87.9234 0.00672261 -0.00166837 -0.00081625 53
15804 100 C 13.5548 19.1273 89.1637 -0.000703841 -0.00142031 0.00239643 53
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15807 103 C 12.4605 19.4651 92.9479 -0.00426972 0.000688063 0.00136461 53
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15809 105 C 14.3802 19.226 94.6854 -0.00244219 -0.00226011 0.000797989 53
15810 106 C 20.0089 22.7185 81.8168 0.00132935 -0.000353417 0.00079743 53
15811 107 C 19.8165 22.6934 83.3126 -0.00124006 0.000105891 0.00403445 53
15812 108 C 20.4914 23.8334 84.1364 0.00125284 0.00100083 0.00302724 53
15813 109 C 20.5445 23.3364 85.6057 0.000683356 -0.00179475 -0.000755639 53
15814 110 C 20.8672 24.3747 86.7093 0.00611676 -0.0024038 0.00142464 53
15815 111 C 21.1378 23.6755 88.0378 -0.00165213 -0.00177932 -0.000603344 53
15816 112 C 20.8207 24.4264 89.3501 0.000728126 0.00125751 0.000951338 53
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15819 115 C 20.9643 23.1225 93.113 0.0046414 0.00107795 0.000976673 53
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15823 119 C 20.4402 15.5589 83.8368 -0.000140987 0.00442452 0.000401675 53
15824 120 C 21.1874 14.3134 84.3652 0.0030323 9.78845e-05 0.00307837 53
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15826 122 C 20.5258 14.3068 86.9124 6.40827e-05 -0.000325239 -0.000648974 53
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15828 124 C 20.4486 14.216 89.5131 -0.0023452 0.0015751 -0.00792106 53
15829 125 C 21.2748 14.4739 90.7742 0.000612123 -0.000662116 0.00225905 53
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15831 127 C 21.5745 14.3138 93.2654 -0.00135923 -0.000603266 -0.00131654 53
15832 128 C 20.9021 14.0949 94.5907 -0.00278871 -0.000983375 0.00164995 53
15833 129 C 21.7994 14.4588 95.8017 -0.000388207 -0.000751409 0.000735307 53
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15956 252 H 14.6447 18.816 95.6679 -0.00580183 -0.00591617 0.000173889 53
15957 253 H 21.0789 22.8108 81.5934 0.00221253 -0.0109946 0.000584163 53
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15971 267 H 20.8556 22.5798 90.48 -0.0105641 0.00542735 0.0169008 53
15972 268 H 22.346 23.482 90.6659 0.00422087 0.00754422 0.00710628 53
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16312 4 C 26.8857 19.9637 78.6956 0.000589747 -0.000315343 0.000498467 55
16313 5 C 26.8423 20.0916 80.1019 0.00367089 0.00334254 0.00241949 55
16314 6 C 27.3334 21.2669 80.6332 0.000848839 0.0014535 0.00209543 55
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16340 32 C 22.104 12.4729 67.743 -0.000529556 0.00692795 -0.000759539 55
16341 33 C 22.26 12.3244 66.3691 0.00358689 6.98674e-05 0.000603324 55
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16350 42 C 25.3031 15.7864 66.1402 -0.00369128 -0.00295501 -0.00112958 55
16351 43 C 25.3321 15.8181 67.5618 0.00106128 0.00409317 -0.00123385 55
16352 44 C 26.5853 15.8951 68.223 0.00298953 -0.000604646 -0.000650499 55
16353 45 C 21.8811 19.0473 67.3483 2.99906e-05 0.00265147 -0.000620405 55
16354 46 C 21.9545 18.9779 65.9571 0.000847041 -0.00188512 -0.00232793 55
16355 47 C 22.5774 17.8863 65.312 -0.00262792 0.00128644 0.000878068 55
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16358 50 C 23.1414 17.0168 67.5287 -0.000710192 0.00279531 -0.0051845 55
16359 51 C 22.4797 18.0709 68.1577 -0.00127879 0.00287214 -0.00134247 55
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16363 55 C 26.0983 18.9794 80.8623 -0.00188195 -0.000157389 0.000510941 55
16364 56 C 26.8385 17.6629 80.4973 -0.000328866 -0.000940705 -0.00111164 55
16365 57 C 26.0165 15.066 63.0391 -0.00158666 -0.00304566 -0.000321607 55
16366 58 C 26.0087 15.8272 61.7174 -0.00157632 -0.00480435 0.00131099 55
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16368 60 C 25.2809 15.4772 59.2427 0.000816513 -0.00429668 0.00163974 55
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16371 63 C 23.9636 14.5464 55.7069 0.00154465 -0.0044418 -0.00376344 55
16372 64 C 24.5659 15.0052 54.3579 -0.00321295 -0.000998144 -0.00110946 55
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16374 66 C 24.5668 14.7091 51.7881 0.000343286 0.00019958 0.00122032 55
16375 67 C 23.8921 13.9499 50.6152 -0.00105602 -0.00174218 0.00646625 55
16376 68 C 24.2741 14.4773 49.1998 -0.00325656 -0.00108743 -0.00157013 55
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16380 72 C 24.4684 10.7256 61.6042 -0.000270307 0.00180674 0.000642327 55
16381 73 C 25.0101 10.8462 60.1697 -0.00132338 0.000538996 0.00138413 55
16382 74 C 24.0345 10.4286 59.0305 -0.00256952 -0.000271439 -0.00325235 55
16383 75 C 24.6687 10.6268 57.6314 -0.000270867 -0.00550885 0.000513881 55
16384 76 C 23.8694 10.0001 56.4798 -0.00343892 -0.00255451 0.00157035 55
16385 77 C 24.4157 10.4881 55.1145 -0.0040059 0.000271178 -0.00170571 55
16386 78 C 24.1668 9.41611 54.0325 0.00112453 0.000854029 -0.000920575 55
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16391 83 C 22.0707 17.3965 61.7498 -0.00309732 0.00205103 -0.00104373 55
16392 84 C 21.5223 18.2019 60.556 -0.0081527 -0.00187491 0.000195015 55
16393 85 C 21.918 17.6596 59.2008 -0.00278006 -0.00161688 0.00107378 55
16394 86 C 21.573 18.702 58.0939 0.00283383 -0.000539591 -4.58886e-05 55
16395 87 C 21.6525 18.1519 56.6506 -0.00385627 -0.000448094 0.000493594 55
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16397 89 C 20.1012 16.9794 54.8609 -0.000101674 -0.00072074 0.00273765 55
16398 90 C 21.3079 16.7305 53.9146 -0.00205422 0.00325443 -0.00235584 55
16399 91 C 20.9263 16.4233 52.4776 -0.000383991 0.00425646 0.00153079 55
16400 92 C 20.1122 17.5396 51.8069 -0.00500899 0.0021656 0.000392017 55
16401 93 C 20.2503 17.4894 50.289 0.00101165 -0.00256359 -0.000345777 55
16402 94 C 22.1642 20.08 82.4894 0.00340535 -0.0017528 -0.00224557 55
16403 95 C 21.1976 19.1265 83.222 -0.000327926 -0.00157043 0.00223484 55
16404 96 C 21.2871 19.2928 84.7417 -0.000591515 -0.00210718 0.0052064 55
16405 97 C 20.0459 18.8157 85.5264 -0.00379866 8.19192e-05 -0.00328019 55
16406 98 C 20.0007 19.369 86.9637 -0.00172717 0.00130814 0.000832134 55
16407 99 C 20.9323 18.7468 87.9724 -0.00506367 0.00185839 0.00531142 55
16408 100 C 20.7041 19.265 89.3859 -0.00364137 0.000689077 -0.000569586 55
16409 101 C 21.5683 18.6696 90.4902 -0.00639788 0.00318211 0.00135558 55
16410 102 C 21.0655 19.2756 91.8486 0.00140228 -0.00154967 -0.00324247 55
16411 103 C 21.7192 18.7108 93.0855 0.00198186 -0.00112486 0.00294804 55
16412 104 C 21.4102 19.4962 94.3714 -0.000856814 -0.00148965 -0.000247736 55
16413 105 C 22.0212 18.7606 95.625 0.00404563 -0.00112814 0.00104567 55
16414 106 C 27.9645 22.7432 82.5418 -0.00463231 0.000337913 -0.0019177 55
16415 107 C 27.9901 22.7692 84.0805 -0.00106725 -0.000895351 0.00699008 55
16416 108 C 28.6819 24.0497 84.6283 0.00244718 -0.00308142 -0.00336379 55
16417 109 C 28.5302 24.1842 86.171 -0.000754096 -0.000190835 -0.00197944 55
16418 110 C 29.5059 23.2579 86.9124 0.00356409 -0.000875499 0.00128913 55
16419 111 C 29.0283 22.7394 88.2719 0.00561368 -0.00331969 -0.00301956 55
16420 112 C 29.0068 23.72 89.4612 0.0009441 0.00209494 -0.00417813 55
16421 113 C 29.0573 22.9404 90.7785 0.00165411 -0.00237612 -0.000474043 55
16422 114 C 28.9724 23.8154 92.0682 -0.00449311 -0.00418661 0.00282623 55
16423 115 C 28.9936 22.9688 93.3379 -0.00161876 0.000264733 0.00333618 55
16424 116 C 28.845 23.7559 94.6376 -0.00357168 0.00323085 -0.00177502 55
16425 117 C 29.3043 22.9819 95.8775 -0.000782822 -0.000616347 0.000821525 55
16426 118 C 27.4163 15.7172 83.6173 -0.00116556 -0.000518976 0.00251194 55
16427 119 C 28.8719 15.6208 84.0854 0.000529174 -0.000898872 -0.00148469 55
16428 120 C 29.1109 14.4256 85.0466 -0.00681507 -0.00333838 -0.00133097 55
16429 121 C 28.175 14.3415 86.2789 -0.000527922 -0.000913715 0.00243582 55
16430 122 C 28.4693 15.328 87.4543 -0.00106442 -0.00218096 0.00546405 55
16431 123 C 29.4254 14.7265 88.4693 -0.000435371 -0.00125036 0.0012258 55
16432 124 C 29.4422 15.4121 89.8487 -0.000884293 -0.00202816 0.00234946 55
16433 125 C 30.0744 14.5745 90.9298 0.000958301 0.002128 0.000153343 55
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16574 266 H 28.1024 24.3374 89.3961 -0.00047106 0.00202092 0.0149628 55
16575 267 H 28.2089 22.245 90.7732 0.00297102 -0.00407807 0.0113746 55
16576 268 H 29.9836 22.3588 90.8629 0.0101187 0.0121724 0.00716199 55
16577 269 H 29.8153 24.5162 92.1112 -0.000281311 -0.0089733 -0.0020208 55
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16579 271 H 28.2286 22.1829 93.3136 -0.00481651 0.00368312 -0.00612603 55
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16584 276 H 29.4025 23.6387 96.7506 0.00685362 -0.00783311 0.0054172 55
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16586 278 H 26.7867 15.9261 84.491 0.00648635 0.00697928 0.00621304 55
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16590 282 H 30.1617 14.3661 85.3559 -0.00741548 -0.00656751 7.76567e-05 55
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16594 286 H 27.5089 15.4359 87.9733 -0.00115066 -0.000311802 0.00491458 55
16595 287 H 28.7498 16.3415 87.142 0.00524216 -0.00690149 -0.00412672 55
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16597 289 H 29.1534 13.6744 88.6194 0.00654463 -0.00315602 0.000514487 55
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16599 291 H 29.9916 16.3581 89.7678 -0.0209456 0.00843646 -0.0116271 55
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16601 293 H 29.6636 13.5584 90.883 0.00176237 0.00170739 0.00222846 55
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16612 2 C 31.6856 28.9153 78.5764 -2.96793e-05 0.000611209 -0.000930088 56
16613 3 C 31.2207 27.8065 77.8844 0.000248773 -0.00103114 0.00280805 56
16614 4 C 30.6412 26.7704 78.6405 0.000293743 0.000240614 -0.00318392 56
16615 5 C 30.5384 26.8034 80.0374 7.79925e-05 0.00445869 -0.00340167 56
16616 6 C 31.0255 27.9105 80.7192 -0.0010113 -0.00141263 0.000455453 56
16617 7 C 26.0427 25.7641 79.7225 -0.0033235 0.000501945 -0.00292773 56
16618 8 C 26.1419 25.6043 78.3228 -0.000754859 0.00782936 0.00168041 56
16619 9 C 27.425 25.5601 77.7519 0.00269398 -0.00264336 -0.000391551 56
16620 10 C 28.5581 25.5639 78.5395 0.00146786 -0.00425327 -0.00208978 56
16621 11 C 28.4668 25.6442 79.9459 0.00107071 0.0042494 0.000548317 56
16622 12 C 27.2058 25.785 80.5484 -0.00208346 -0.00492151 0.00329658 56
16623 13 C 31.9003 22.2833 80.0492 0.000979777 -0.00370541 0.000994621 56
16624 14 C 31.9234 22.2563 78.6332 0.00145257 -0.00147798 0.00441546 56
16625 15 C 31.3331 23.3187 77.9316 -0.00106859 -0.000965851 -0.00368194 56
16626 16 C 30.6665 24.3377 78.6893 0.00159355 0.00185743 -0.000536516 56
16627 17 C 30.0193 25.5502 78.0005 -0.00260031 0.000203189 0.000867021 56
16628 18 O 31.4149 23.298 82.1917 0.000196616 -0.0020271 0.0021849 56
16629 19 O 27.047 25.9126 81.9253 -0.00115439 -0.00265617 0.00191018 56
16630 20 O 30.8818 27.9646 82.1021 -0.000153383 0.00375093 0.00242472 56
16631 21 C 31.2768 23.2978 80.8069 -0.00371065 -0.00344937 -0.00041977 56
16632 22 C 30.0459 25.4462 76.5284 -0.00174318 0.000550189 0.00362149 56
16633 23 C 29.9266 25.2269 75.3697 0.00107228 -0.00339195 0.0026187 56
16634 24 C 29.5715 24.7393 74.0779 -0.00432553 0.00277336 -0.00189873 56
16635 25 C 28.6161 25.3892 73.2962 -0.00404885 -0.00568162 0.00424704 56
16636 26 C 28.1545 24.8654 72.0812 0.00686458 0.00180834 0.000995187 56
16637 27 C 28.7091 23.6382 71.6336 0.0032101 -0.000815086 -0.00228544 56
16638 28 C 29.6957 22.9826 72.4284 0.00222649 -0.00291989 -0.000850737 56
16639 29 C 30.1504 23.5221 73.6232 6.03289e-05 -0.000578065 0.000999463 56
16640 30 C 28.3183 23.1266 70.3618 -0.00527758 2.6649e-05 -0.00560332 56
16641 31 C 28.0393 22.7993 69.2312 0.000273785 -0.00260821 5.35195e-05 56
16642 32 C 25.751 19.3492 67.478 0.00282518 -0.00174347 -0.00122411 56
16643 33 C 25.7332 19.2357 66.1019 0.000427946 0.00417421 -0.00328077 56
16644 34 C 26.3387 20.2292 65.2975 0.00100932 0.00227647 -0.00474212 56
16645 35 C 27.0131 21.2919 65.8935 -0.00118145 5.03835e-05 -0.00449917 56
16646 36 C 27.0635 21.3639 67.316 0.0014794 -2.27276e-05 0.00202845 56
16647 37 C 26.386 20.4238 68.105 0.00144135 -0.00311738 6.90334e-05 56
16648 38 C 27.9003 22.5964 67.785 0.00379545 0.0041414 -0.0048091 56
16649 39 C 31.6593 22.6443 66.7979 -0.000266116 -0.000564922 -0.00139058 56
16650 40 C 31.5137 22.6133 65.3966 0.000482199 -0.000230837 0.00271678 56
16651 41 C 30.2362 22.5401 64.8243 0.00511815 0.0021227 -0.00376473 56
16652 42 C 29.12 22.4678 65.6378 0.00156718 0.00233336 0.00279653 56
16653 43 C 29.2565 22.4575 67.0484 0.00155425 -0.00274608 0.0035405 56
16654 44 C 30.5284 22.5536 67.595 -0.000392062 0.00556098 0.0013063 56
16655 45 C 26.1238 25.9556 67.0708 -0.000150157 -0.00255771 -0.00289738 56
16656 46 C 26.0397 25.902 65.6756 0.0027394 0.0029963 -0.000508637 56
16657 47 C 26.5572 24.8145 64.9947 5.24115e-06 0.00158504 0.00519712 56
16658 48 C 27.1031 23.7311 65.7037 -0.00165208 0.00248846 0.0027014 56
16659 49 C 27.6879 22.4228 65.1237 -0.00310648 0.00356003 0.00149747 56
16660 50 C 27.2188 23.7952 67.1177 0.00186824 0.00419473 -0.00148369 56
16661 51 C 26.6761 24.8816 67.7966 -0.00239324 0.000530107 -0.00287667 56
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16665 55 C 29.8284 25.595 80.6598 -0.00174991 -1.79245e-05 -0.000121398 56
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16668 58 C 29.541 21.8882 61.4363 -0.00207725 -0.00173744 -0.00249342 56
16669 59 C 30.0636 21.4353 60.045 0.00292982 0.000958695 -0.00225736 56
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16675 65 C 28.8044 21.8647 52.6815 -0.000781633 0.00366816 0.00351595 56
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16678 68 C 27.8711 21.9877 48.9384 6.63427e-05 6.03043e-05 0.000785588 56
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16685 75 C 24.8443 20.6599 57.6258 0.000454495 -0.00466072 0.00257126 56
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16700 90 C 27.8305 25.3754 53.2813 -0.000194691 0.00200096 -0.00230262 56
16701 91 C 28.8558 25.8193 52.1992 0.000179221 -0.0019351 -0.000168926 56
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16703 93 C 29.1321 26.2473 49.7158 0.00408199 -0.000606916 0.000568731 56
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16705 95 C 25.7822 25.8569 84.0184 0.00359851 -0.00424038 -0.00242462 56
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16708 98 C 25.0029 25.3329 87.0347 -0.00120664 0.000505778 -0.0037324 56
16709 99 C 24.6578 25.4287 88.5239 -0.00204 0.000198618 0.00034198 56
16710 100 C 24.9797 26.8111 89.2082 -0.000444283 -0.00291377 0.00222324 56
16711 101 C 25.507 26.6354 90.6704 -0.00112007 0.00233533 0.00199354 56
16712 102 C 24.4748 26.1199 91.6621 0.000951822 0.00100454 -0.00121754 56
16713 103 C 25.1156 26.0879 93.08 -0.000224013 -0.000614937 -0.00756254 56
16714 104 C 24.0374 25.732 94.1336 -0.00407494 0.00247724 0.00229799 56
16715 105 C 24.6622 25.4177 95.5288 0.00217621 0.00197327 -0.00505996 56
16716 106 C 30.9026 29.2041 82.8164 -0.00404841 -0.00150205 -0.00531268 56
16717 107 C 32.3585 29.6173 83.1449 -0.00397218 0.0017649 -0.00168306 56
16718 108 C 32.5058 30.4412 84.4382 -0.000381706 0.000929052 -0.00103932 56
16719 109 C 32.3353 29.6568 85.8086 -0.00119542 0.00186286 0.00298552 56
16720 110 C 32.4129 30.5771 87.0225 0.00254252 0.00177055 0.0029156 56
16721 111 C 32.3788 29.8153 88.3646 0.00294875 -0.00451677 -0.000184708 56
16722 112 C 32.3173 30.7279 89.6481 -0.00579219 0.0022216 0.0004583 56
16723 113 C 32.3326 29.8243 90.9104 0.000798109 0.00142562 -0.00124333 56
16724 114 C 32.2689 30.656 92.209 0.00413377 -0.00157926 0.00320743 56
16725 115 C 32.5526 29.7934 93.4558 -0.00721502 0.00162281 0.00323223 56
16726 116 C 32.2967 30.4459 94.8284 -0.000259594 0.00164775 0.00112208 56
16727 117 C 32.7876 29.5636 96.0002 0.000752178 0.00546405 -9.05871e-05 56
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16729 119 C 32.3254 22.2606 84.2985 0.00100768 0.00267077 -0.00156045 56
16730 120 C 32.897 20.8885 84.7073 0.000809679 -0.00225539 -0.00044595 56
16731 121 C 33.595 20.7387 86.065 0.00199086 0.0015066 -0.000486005 56
16732 122 C 32.8392 21.4626 87.1912 0.00292521 -0.00228653 -0.000454797 56
16733 123 C 33.332 21.0431 88.5859 0.00115698 0.00447844 0.000451427 56
16734 124 C 32.9035 22.0494 89.6438 0.00192802 -0.000960481 -0.00209734 56
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16737 127 C 33.1492 20.4529 93.2772 0.00259059 0.000514067 -0.00461417 56
16738 128 C 32.994 21.6463 94.2582 0.00171303 -0.000234457 0.000104744 56
16739 129 C 33.6966 21.4088 95.5533 0.00269874 0.000169742 -0.000219788 56
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16820 210 H 29.5697 25.7317 59.5281 0.000353796 -0.00148945 0.0157841 56
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16850 240 H 25.6988 27.4021 88.6276 -0.00807048 0.00513122 0.000950375 56
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16866 256 H 32.7351 30.1894 82.288 0.00468754 -0.000530439 0.000606311 56
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17413 199 H 31.3315 20.9723 51.2444 0.00499865 0.00147415 0.00293001 58
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17423 209 H 36.2296 28.1282 58.8624 -0.0057076 -0.00213616 0.00244342 58
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17427 213 H 36.3281 27.8137 56.5549 0.000810306 -0.00152635 0.00543984 58
17428 214 H 37.465 26.4926 56.7989 0.0026121 -0.0053923 -0.00210522 58
17429 215 H 35.9271 24.9671 55.4658 0.00904024 0.0031603 0.000961259 58
17430 216 H 34.7757 26.3394 55.2046 0.00271817 0.00996723 0.000209409 58
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17433 219 H 35.9723 24.9005 52.7942 0.0144534 -0.0012845 -0.000196695 58
17434 220 H 34.9592 26.2507 52.6456 0.0045797 0.012622 -0.00507794 58
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17436 222 H 37.8878 26.1199 51.6903 -0.00649698 -0.00938139 -0.0148637 58
17437 223 H 36.1995 24.7441 50.4003 0.0128137 0.00114122 0.0238385 58
17438 224 H 35.257 26.2916 50.2016 -0.00523505 -0.00695326 0.0194576 58
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17440 226 H 36.6787 25.7146 48.1689 0.00347897 0.00785652 -0.0023991 58
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17444 230 H 33.8067 24.8302 84.0204 -0.00150164 -0.000472998 0.00806685 58
17445 231 H 34.1548 26.5684 84.2341 0.00126457 -0.00240866 -0.00205374 58
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17447 233 H 31.3476 25.6374 83.6536 0.00923243 0.00418141 -0.00973469 58
17448 234 H 30.7788 25.7113 85.8893 0.000227675 0.0112008 -0.0094615 58
17449 235 H 32.149 24.5842 85.7881 -0.0018352 0.000677048 -0.0033303 58
17450 236 H 33.5727 26.7741 86.5409 0.00779441 -0.00889482 0.00785407 58
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17453 239 H 33.5715 24.9111 87.9531 0.0134621 0.0110215 0.0184773 58
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17458 244 H 33.6253 26.9674 91.9904 5.47108e-05 0.00561186 0.0132428 58
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17460 246 H 31.9623 24.6563 93.1582 -0.00181943 -0.00026088 0.00742995 58
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17462 248 H 33.5313 26.9068 94.5524 0.00394121 0.00168158 0.000338509 58
17463 249 H 31.898 26.6295 94.6136 0.00407602 0.00932526 0.00547013 58
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17466 252 H 33.8122 24.4647 95.6136 0.00354885 -0.00215626 0.00239692 58
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17468 254 H 38.609 28.5146 83.8313 -0.000983803 -0.000133586 0.00389042 58
17469 255 H 40.9635 29.1613 82.2949 -0.00245392 -0.0124779 0.00956623 58
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17475 261 H 40.2986 28.6432 86.9787 -0.0122006 0.00201796 0.00648644 58
17476 262 H 41.6245 29.8178 86.8959 0.00621938 0.00366031 0.00186735 58
17477 263 H 40.4184 31.4415 88.2443 -0.00157144 -0.00157422 0.00397053 58
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17479 265 H 39.9042 28.7223 89.546 -0.000101466 0.000271495 0.0108127 58
17480 266 H 41.4953 29.5438 89.3944 -0.00333939 0.0044527 0.000737065 58
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17485 271 H 41.1157 31.3238 93.2092 -0.0100204 0.00789178 0.00535475 58
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17491 277 H 41.1936 29.8675 96.6661 0.010604 0.012064 0.00453077 58
17492 278 H 40.0077 21.2666 81.999 -0.0133361 -0.00294519 0.00570062 58
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17495 281 H 40.1104 23.2029 84.3297 0.0242401 -0.00466662 0.00859776 58
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17497 283 H 39.9493 20.1414 84.5903 0.00267085 -0.0040187 -0.00835756 58
17498 284 H 41.4529 22.4439 85.8781 -0.00291624 -0.0039037 0.00692175 58
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17500 286 H 39.8474 20.1677 87.1026 0.0104004 -0.00803522 0.00550698 58
17501 287 H 39.3226 21.8357 86.8226 -0.00462935 -0.00445662 -0.00194561 58
17502 288 H 41.2126 22.6735 88.3381 -0.00502615 0.00250242 0.011453 58
17503 289 H 41.8808 21.0968 88.3934 0.00160222 0.00533893 0.012634 58
17504 290 H 39.8496 20.2428 89.6785 -0.0147622 0.00192037 -0.0135438 58
17505 291 H 39.2774 21.9299 89.6503 0.0073115 0.00764169 -0.00106801 58
17506 292 H 41.4403 22.6882 90.7482 -0.00667908 0.000347178 0.0131516 58
17507 293 H 41.9574 21.0382 90.8344 0.000724538 0.00116087 0.00194091 58
17508 294 H 39.9742 20.4776 92.2969 0.00179983 -0.0024437 0.00558308 58
17509 295 H 39.6257 22.245 92.2984 -0.000394219 -0.000961904 0.0152703 58
17510 296 H 41.9289 22.5917 93.2238 0.0113563 -0.00577043 0.00218927 58
17511 297 H 42.1794 20.8233 93.1783 -0.00484754 -0.000663165 -0.00606238 58
17512 298 H 40.3349 20.5269 94.7706 0.00187082 0.00354956 0.0153035 58
17513 299 H 40.0372 22.2552 94.8094 0.00465682 0.00139961 -0.00481824 58
17514 300 H 41.3939 21.6939 96.8693 0.00941807 0.0112447 0.00316946 58
17515 301 H 42.4671 22.5521 95.7196 1.70906e-05 0.00616316 0.0211522 58
17516 302 H 42.5812 20.8131 95.892 0.00389013 0.00608915 0.00297603 58
17517 1 C 43.451 22.1654 79.5457 -0.000682192 0.00232063 -0.00117314 59
17518 2 C 43.4105 22.0051 78.1604 0.00155181 0.0012115 0.00430348 59
17519 3 C 42.8963 20.863 77.568 -0.000358875 -0.00270441 -0.00141548 59
17520 4 C 42.4069 19.8606 78.4336 0.0012716 0.000794311 0.00289889 59
17521 5 C 42.4675 19.9743 79.8385 0.00204081 0.00136443 0.000137289 59
17522 6 C 42.9931 21.1716 80.4179 -0.00069758 0.000388839 -0.00205072 59
17523 7 C 37.8815 18.7706 79.8724 0.00277472 -0.00508434 -0.000216046 59
17524 8 C 37.9277 18.5461 78.4952 -0.000790002 -2.82382e-05 -0.00193271 59
17525 9 C 39.1346 18.4829 77.8081 0.00116136 0.00422079 -0.000775486 59
17526 10 C 40.3462 18.6044 78.5476 -0.00421883 -0.00540329 0.000477474 59
17527 11 C 40.3282 18.7354 79.9645 -0.00196193 -0.00430028 -0.00358517 59
17528 12 C 39.085 18.8509 80.6258 0.000645957 0.00264144 0.00545481 59
17529 13 C 43.6674 15.3311 80.1184 0.00272314 -0.00439343 -0.00335531 59
17530 14 C 43.7315 15.3354 78.7258 -0.00207835 0.00314027 -0.00330295 59
17531 15 C 43.1236 16.3792 78.0028 -0.000292156 0.000161871 0.00205875 59
17532 16 C 42.4888 17.4112 78.6664 0.00264758 0.00380204 -0.00195794 59
17533 17 C 41.759 18.5829 77.9359 0.00235706 0.00116868 0.000274128 59
17534 18 O 42.9978 16.3492 82.2016 -4.16271e-05 0.00314316 -0.00131075 59
17535 19 O 39.0233 19.0972 81.9426 -6.52328e-05 0.000202342 -0.00030418 59
17536 20 O 43.0994 21.341 81.8215 -0.00218572 0.00354554 0.00119045 59
17537 21 C 43.0096 16.3699 80.8051 -0.00283385 0.00131103 -0.00364952 59
17538 22 C 41.6955 18.4491 76.4823 0.00173455 -0.00252945 -0.00173788 59
17539 23 C 41.4432 18.2455 75.295 0.00411201 -0.00065604 -0.00067332 59
17540 24 C 41.0763 17.8228 73.9766 0.000663536 0.00245629 -0.00485869 59
17541 25 C 40.2144 18.5629 73.1695 0.00182516 -0.00171856 -0.000624221 59
17542 26 C 39.8489 18.1028 71.9067 -0.00144654 -0.00466589 -0.000570034 59
17543 27 C 40.2602 16.818 71.5264 -0.000975735 -0.00191354 0.000592296 59
17544 28 C 41.0503 16.0179 72.3417 -0.00269867 0.000376929 0.00024633 59
17545 29 C 41.4615 16.5443 73.568 0.000975592 -0.00332605 -0.00248472 59
17546 30 C 39.8814 16.3549 70.2367 0.000976955 6.58193e-05 0.00285531 59
17547 31 C 39.5856 16.0841 69.0821 -5.86574e-05 -0.00256803 0.00204511 59
17548 32 C 37.871 12.3892 67.2644 -0.0056588 -0.00187948 0.00175082 59
17549 33 C 37.8984 12.2658 65.8553 -0.00430862 -0.000448358 0.000260779 59
17550 34 C 38.389 13.312 65.0768 -0.00268675 0.00108668 0.000554981 59
17551 35 C 38.811 14.4827 65.6963 0.000510067 0.00377817 0.00417321 59
17552 36 C 38.8294 14.6069 67.0955 0.000982162 -0.00529895 -0.00121719 59
17553 37 C 38.3306 13.5624 67.8712 -0.000289055 0.00172507 -0.000912896 59
17554 38 C 39.4524 15.9359 67.6205 -0.00108234 -0.00176747 0.000353918 59
17555 39 C 43.2156 15.9381 66.6773 -0.000739539 -0.00192804 0.00146398 59
17556 40 C 43.0892 15.8616 65.2828 -0.00224202 -0.00264277 -0.000619309 59
17557 41 C 41.8482 15.8701 64.6696 0.00353112 3.78671e-05 0.000764107 59
17558 42 C 40.7105 15.907 65.4876 -0.00160083 0.00409809 0.00373247 59
17559 43 C 40.7876 15.9588 66.8814 0.000406013 0.00351992 -0.00265499 59
17560 44 C 42.0381 15.9535 67.4745 -0.000537717 0.00523329 0.00309219 59
17561 45 C 37.4641 19.1298 66.8358 -0.00146903 -0.00034753 0.003333 59
17562 46 C 37.2349 18.9504 65.4769 -0.00258379 0.00102904 0.00437093 59
17563 47 C 37.7112 17.8265 64.7987 -0.00774635 0.00303424 -0.000200204 59
17564 48 C 38.5316 16.9199 65.504 -0.00456219 0.000430101 0.0045982 59
17565 49 C 39.3151 15.7295 64.9664 0.00190679 -0.00102979 0.0039634 59
17566 50 C 38.6546 17.056 66.9195 0.0034419 0.00190562 0.00227561 59
17567 51 C 38.1354 18.1766 67.594 0.00358022 0.000446727 -0.00311484 59
17568 52 O 41.7569 16.1032 63.3055 -0.00198006 -0.000981255 -0.000274807 59
17569 53 O 38.5255 13.1437 63.6938 -0.000874537 0.00170337 -0.0013419 59
17570 54 O 37.3144 17.6606 63.4882 -0.00356178 -0.00408367 0.00461247 59
17571 55 C 41.7572 18.7805 80.5845 -0.000269479 0.00229841 0.00237347 59
17572 56 C 42.4456 17.4548 80.064 -0.000707619 -0.00253017 -0.00447285 59
17573 57 C 41.4913 15.0549 62.3995 0.000139635 0.00101806 -0.00252969 59
17574 58 C 41.4409 15.8152 61.0522 0.000321007 -0.00488219 0.000179712 59
17575 59 C 41.0114 14.916 59.9143 -2.16948e-05 -0.000203551 0.000300389 59
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18820 96 C 4.62325 32.6564 84.4428 0.00241835 0.00222003 -0.000871685 63
18821 97 C 4.67069 32.7231 85.9867 0.00455588 -0.00228897 0.00116104 63
18822 98 C 5.19292 31.4535 86.6243 0.00151467 0.000850104 0.000305492 63
18823 99 C 6.04697 31.5746 87.9035 0.0020229 0.000819506 -0.00207813 63
18824 100 C 5.24111 31.8198 89.1664 0.000559468 0.000290205 0.00183015 63
18825 101 C 6.24259 31.7814 90.3661 0.00111685 -0.0055284 0.00691772 63
18826 102 C 5.47021 31.7538 91.7216 0.000202038 0.000389107 0.0011034 63
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18832 108 C 12.4923 37.5944 84.5339 -0.00245187 -0.000576892 -0.00777704 63
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18835 111 C 13.0859 37.803 88.4447 -0.0010878 0.000898835 0.000871452 63
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18849 125 C 13.1168 28.0609 90.6913 0.000252368 -0.000893762 0.000380817 63
18850 126 C 13.8013 28.7568 91.9026 0.00177649 0.00185112 0.00535754 63
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18852 128 C 14.0221 28.8148 94.4231 0.00434396 -0.000229189 0.00102217 63
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19389 61 C 16.6091 28.8564 58.5727 -0.00312796 -0.00154635 -0.00565111 65
19390 62 C 16.4501 27.9941 57.3377 0.00251639 0.00310114 0.00177425 65
19391 63 C 16.6555 28.8177 56.0456 -0.00168036 -0.00414149 -0.00178994 65
19392 64 C 16.301 27.9852 54.7678 0.00441943 -0.00103601 0.00189127 65
19393 65 C 16.3456 28.8384 53.4708 0.00170301 0.00143409 -0.0027008 65
19394 66 C 16.0226 28.0663 52.2296 -0.00150158 -0.00142947 -0.00261531 65
19395 67 C 16.1742 28.9734 50.9941 0.0043839 -0.00128884 -0.00194835 65
19396 68 C 15.948 28.188 49.7354 -0.00355005 0.0016152 0.0011221 65
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19399 71 C 15.5228 25.2148 61.9701 -6.22984e-05 -0.00347547 -0.00157404 65
19400 72 C 16.5678 24.2564 61.4484 0.00196085 -0.000147537 -0.00252423 65
19401 73 C 16.2804 23.6085 60.0583 -0.00248616 -0.000640943 0.00692123 65
19402 74 C 16.2358 24.57 58.8587 -0.00429032 -0.000821176 0.00330214 65
19403 75 C 15.8329 23.7914 57.5669 -0.00498048 -0.00121631 -0.00535423 65
19404 76 C 16.093 24.5676 56.2505 0.00421731 -0.000742455 0.00248304 65
19405 77 C 15.796 23.7337 54.961 0.00170985 -0.000574631 0.000491355 65
19406 78 C 16.1047 24.5139 53.6886 0.000103024 0.0028089 -0.00137789 65
19407 79 C 16.0242 23.7301 52.3579 0.00070693 8.53188e-06 0.00185251 65
19408 80 C 16.3372 24.5755 51.1128 -0.000382843 -0.00103391 -0.000995918 65
19409 81 C 16.4027 23.7446 49.8129 -0.00188843 -0.00379887 0.000902076 65
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19414 86 C 12.7447 31.0573 58.1461 0.00248694 0.000131692 0.000576971 65
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19416 88 C 12.4372 31.1287 55.6208 -0.00134908 -0.00088816 0.000755461 65
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19420 92 C 12.3025 31.2695 50.5114 0.00102582 0.000368189 0.00153409 65
19421 93 C 12.7573 30.4817 49.2404 -0.000376717 -0.000209954 -0.00192601 65
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19423 95 C 13.9875 32.773 83.9156 -0.00413625 -0.00103575 0.00219654 65
19424 96 C 12.5297 32.7803 84.4403 -0.00148863 0.002484 -0.002942 65
19425 97 C 12.4076 32.4706 85.9723 -0.000985353 -0.000789398 0.0012123 65
19426 98 C 13.2034 33.2911 86.9578 -0.000644938 0.0023614 0.00151173 65
19427 99 C 12.8748 32.7929 88.3578 -0.00431488 0.00285544 -0.000157035 65
19428 100 C 13.759 33.4045 89.4714 0.00275917 0.00412194 0.00293648 65
19429 101 C 13.3179 32.8266 90.8058 -0.00498133 -0.00147042 0.00142202 65
19430 102 C 14.1222 33.3571 91.9973 0.00151686 0.00147288 0.00369457 65
19431 103 C 13.7006 32.6364 93.3027 -0.000384374 -0.00150901 -0.000273741 65
19432 104 C 14.4907 33.1559 94.5213 0.00298805 -0.000312263 -0.00117179 65
19433 105 C 14.0557 32.5848 95.875 0.00157607 0.000452415 0.000382447 65
19434 106 C 20.2065 36.2998 82.0787 0.00325277 -0.00262499 -0.00199479 65
19435 107 C 20.353 36.4096 83.6165 -0.000961448 0.00249849 0.000826661 65
19436 108 C 21.1661 37.6252 84.0285 -0.00378611 -0.00429816 0.000653467 65
19437 109 C 20.9228 38.1004 85.4622 -0.000491615 -0.00105642 0.00343337 65
19438 110 C 21.4984 37.2383 86.5882 0.000960904 -0.00411584 -0.00114712 65
19439 111 C 21.1102 37.8424 87.9612 0.00553437 0.00345085 0.00309174 65
19440 112 C 21.6674 37.1613 89.2106 0.0044074 -0.00168323 -0.00081285 65
19441 113 C 21.1422 37.8203 90.5076 -0.00077429 0.00153069 0.00355896 65
19442 114 C 21.5312 37.009 91.7666 -0.00230752 0.000444231 0.00055138 65
19443 115 C 20.8731 37.6853 93.0023 -0.0033674 0.00352711 -0.000313809 65
19444 116 C 21.2292 37.0959 94.3673 0.00392852 0.000875381 -0.00265665 65
19445 117 C 20.6096 37.7733 95.6089 0.00146847 0.000570041 -0.000197193 65
19446 118 C 20.1867 29.4504 83.1716 -0.00251057 0.000469336 0.00215905 65
19447 119 C 20.3953 29.6518 84.6704 -0.0007699 0.000865137 -0.00281715 65
19448 120 C 20.6724 28.32 85.4348 0.00104921 -0.0029099 0.00186543 65
19449 121 C 20.8538 28.3267 86.9897 -0.000866233 -0.00255241 -0.000863888 65
19450 122 C 19.5271 28.6731 87.6459 -0.00204943 0.00141637 -0.000790408 65
19451 123 C 19.4296 28.1332 89.0784 0.00357714 0.00164981 0.00328131 65
19452 124 C 20.3337 28.7776 90.1288 -0.00348907 0.00335527 -0.000880416 65
19453 125 C 19.9401 28.172 91.4993 0.000516608 7.0591e-05 0.00246764 65
19454 126 C 20.8291 28.5807 92.6739 0.00129539 -0.00281197 0.00326359 65
19455 127 C 20.3716 27.7894 93.9516 0.0025066 -0.00181257 0.00497929 65
19456 128 C 21.1451 28.1918 95.2212 0.00149529 0.00164779 0.00209495 65
19457 129 C 21.0826 27.1815 96.3367 -0.00433824 0.00385781 0.0042273 65
19458 130 F 19.8761 29.6362 73.9162 -0.000785612 0.0011882 -0.000792847 65
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19469 141 H 16.0768 32.1175 74.1459 -0.006202 -0.0104544 0.00727349 65
19470 142 H 13.7156 25.1666 67.8498 -0.000396983 0.00474812 0.00133715 65
19471 143 H 13.6273 25.1096 65.3705 0.00638294 -0.00168509 -0.00175955 65
19472 144 H 14.8305 26.9015 69.0327 0.00536859 -0.00783852 0.00308582 65
19473 145 H 20.9565 28.7939 67.3112 0.00274595 -0.0070535 -0.00714303 65
19474 146 H 20.8036 28.8538 64.8603 -0.00506843 -0.0149405 0.00054608 65
19475 147 H 18.9013 29.0898 68.6932 0.00838782 0.00523732 0.00582661 65
19476 148 H 13.6996 33.3245 67.5939 -0.00206532 -0.00259238 0.0102279 65
19477 149 H 13.5284 33.1843 65.1082 0.0101564 0.0123332 0.00313644 65
19478 150 H 15.9995 29.1092 64.0236 -0.0069247 0.00700124 0.00371749 65
19479 151 H 14.9231 31.5813 68.8705 -0.00927092 0.0143172 4.09471e-05 65
19480 152 H 18.2143 32.8036 81.6502 -0.00298308 -0.00930965 0.00432799 65
19481 153 H 17.4191 30.7513 62.9248 -0.00299026 -0.00423376 -0.00999455 65
19482 154 H 19.2296 30.8626 62.5916 -0.00782953 0.0165537 0.00826085 65
19483 155 H 18.7245 28.8786 60.9235 -0.00339211 -0.00971336 0.00313253 65
19484 156 H 18.1361 30.4908 60.5519 0.00678977 0.00262996 0.0027684 65
19485 157 H 15.9267 29.91 61.0595 -0.0100691 -0.00868306 -6.33724e-05 65
19486 158 H 16.4198 28.4731 62.0047 0.00246236 -0.0113897 -0.0104834 65
19487 159 H 15.3441 27.7714 59.9597 0.00158433 -0.0111518 0.0112831 65
19488 160 H 17.046 27.2929 59.9182 0.0173151 0.0103559 -0.00502066 65
19489 161 H 17.6427 29.2237 58.5876 -0.00748082 0.0105971 -0.0038217 65
19490 162 H 15.9157 29.704 58.5066 0.00623659 0.00755946 0.0129524 65
19491 163 H 15.4255 27.6024 57.3487 0.00580559 -0.00533036 0.00809835 65
19492 164 H 17.1066 27.116 57.374 -0.00728844 -0.00425132 0.00170937 65
19493 165 H 17.7041 29.1248 55.9482 -0.00244302 0.00122913 0.0071643 65
19494 166 H 15.9727 29.675 56.0929 -0.0012886 -0.00363451 -0.00538166 65
19495 167 H 15.2591 27.6619 54.8837 0.0028039 -6.81425e-05 -0.00991115 65
19496 168 H 16.9514 27.1085 54.659 0.00839487 0.0018613 0.00231694 65
19497 169 H 17.3396 29.3017 53.4426 0.00405247 -0.00353317 -0.00140109 65
19498 170 H 15.6632 29.6919 53.5667 0.00135587 -0.000158997 0.00908657 65
19499 171 H 15.0219 27.6285 52.3313 -0.000407707 -0.00634552 -0.013109 65
19500 172 H 16.7551 27.2584 52.1105 0.00322735 0.00240801 0.000406718 65
19501 173 H 17.1422 29.4824 50.9086 -0.00467575 0.0167908 0.00291177 65
19502 174 H 15.4021 29.7523 51.0156 0.0132907 0.0081502 -0.0235475 65
19503 175 H 15.907 28.8422 48.8558 -0.00682747 -0.00902457 -0.00665162 65
19504 176 H 15.0046 27.6323 49.8036 -0.00246241 -0.00013222 0.00194197 65
19505 177 H 16.7757 27.4768 49.6236 0.00471138 0.00868788 0.0171542 65
19506 178 H 16.8452 26.3423 63.1993 0.000115535 -0.000362272 0.019379 65
19507 179 H 16.0005 24.9869 64.0167 9.89221e-05 -0.00447257 -0.00145127 65
19508 180 H 14.5703 24.6741 62.0321 -0.00462564 0.00389317 -0.00731796 65
19509 181 H 15.4141 26.035 61.2499 0.00253988 0.0115109 0.0151191 65
19510 182 H 17.5625 24.7141 61.3823 0.00117068 0.00293244 0.00727064 65
19511 183 H 16.5792 23.423 62.1617 0.026805 -0.000137496 -0.00299092 65
19512 184 H 17.0964 22.8956 59.887 0.0080221 0.0073138 0.0237912 65
19513 185 H 15.3255 23.0697 60.0936 -0.00709014 0.00643853 -0.00937409 65
19514 186 H 15.5078 25.3738 59.024 0.011897 0.0128695 0.00797308 65
19515 187 H 17.2238 25.0401 58.7802 -0.000675668 -0.00794127 0.00611959 65
19516 188 H 16.3909 22.8472 57.5429 -0.000235154 0.00138101 0.00241947 65
19517 189 H 14.7725 23.518 57.6317 -0.00614319 0.0021946 -0.0100014 65
19518 190 H 15.3694 25.3916 56.2254 0.00807384 0.00286849 0.0105024 65
19519 191 H 17.103 24.9929 56.2018 0.0058167 -0.00374338 0.00962584 65
19520 192 H 16.3824 22.8066 54.9506 0.0128783 0.00662714 -0.0111955 65
19521 193 H 14.7495 23.4044 54.9598 0.000794591 0.00231437 0.00609142 65
19522 194 H 15.5302 25.4477 53.6509 0.00367554 0.00513477 0.00155802 65
19523 195 H 17.1538 24.8248 53.7671 -0.00296411 0.00785657 0.0194612 65
19524 196 H 16.7165 22.8849 52.4567 -0.00391254 -0.0031069 0.00768114 65
19525 197 H 15.0096 23.3211 52.2755 0.0110458 -0.0221469 -0.0151606 65
19526 198 H 15.6133 25.3905 50.9902 0.00663388 0.00368276 -0.0111328 65
19527 199 H 17.3366 25.0245 51.1682 -0.00230991 0.00230718 0.00625195 65
19528 200 H 16.9132 24.3549 49.0577 0.00542094 0.0104166 0.0172962 65
19529 201 H 16.9464 22.7957 49.8995 0.00753705 0.00109023 -0.0047756 65
19530 202 H 15.3961 23.4909 49.4582 -0.00441368 0.00661784 0.000637909 65
19531 203 H 12.6673 30.9016 63.8819 -0.00101456 -0.0187236 -0.00842919 65
19532 204 H 12.8958 32.216 62.8265 0.00184863 -0.000280982 -0.000491441 65
19533 205 H 14.0824 29.4538 62.0631 0.00237395 0.00378583 0.00495892 65
19534 206 H 12.2995 29.6973 62.0041 -0.00333127 -0.00389656 0.00689403 65
19535 207 H 12.6074 31.7373 60.6227 0.00360701 0.0104184 -0.00233098 65
19536 208 H 14.3492 31.3936 60.4854 -0.00424685 0.0012172 -0.0120178 65
19537 209 H 13.9442 29.5213 59.1294 -0.00484908 -0.00983112 0.0131245 65
19538 210 H 12.1852 29.4626 59.5056 -0.0140443 0.0048387 -0.0199156 65
19539 211 H 11.7913 31.588 58.2583 -0.00724313 -0.0168934 -0.00154263 65
19540 212 H 13.5155 31.8316 58.0468 0.00399062 -0.000811549 0.00493544 65
19541 213 H 13.6374 29.7259 56.7217 -0.00789251 -0.0103666 -0.00680732 65
19542 214 H 11.8985 29.4399 56.9321 0.00676521 -0.00601083 -0.00633616 65
19543 215 H 11.5091 31.7089 55.6951 0.00208349 0.00449856 0.00159983 65
19544 216 H 13.2717 31.8392 55.573 0.00868383 -0.0129837 -0.00438861 65
19545 217 H 13.4112 29.7226 54.2684 0.00714518 0.00908011 0.00627497 65
19546 218 H 11.6515 29.608 54.2752 0.00219767 0.00048129 0.000169179 65
19547 219 H 11.4939 31.8309 53.1367 0.00516182 0.00271867 0.00475471 65
19548 220 H 13.2653 31.8765 53.0204 0.00196502 0.000859303 -0.000952892 65
19549 221 H 13.183 29.7131 51.8217 0.0118824 0.0167885 0.00969796 65
19550 222 H 11.4411 29.7435 51.7519 0.00902171 -0.00982882 0.00340351 65
19551 223 H 11.3385 31.7501 50.3036 -0.00646743 -0.016578 -0.00281759 65
19552 224 H 13.0227 32.0868 50.6412 0.000277084 0.00288303 -0.0101071 65
19553 225 H 13.722 29.9922 49.4221 -0.00729681 -0.0148028 -0.0046548 65
19554 226 H 11.944 29.7836 49.0067 0.0129096 -0.0171389 0.00261821 65
19555 227 H 12.8908 31.1422 48.3747 0.0100083 0.00483157 0.00352071 65
19556 228 H 13.7424 34.0332 82.1285 -0.00913447 -0.00115939 0.00108634 65
19557 229 H 13.322 32.2908 81.9916 0.00468017 -0.0111796 0.0115657 65
19558 230 H 14.3428 31.7709 84.1856 -0.00199224 -0.00287156 -0.00753814 65
19559 231 H 14.6018 33.5092 84.4485 -0.0057771 0.000841455 0.00149482 65
19560 232 H 11.9893 33.7211 84.2783 -0.00991397 -0.00352235 -0.00962414 65
19561 233 H 11.9712 31.991 83.9222 0.00498766 -0.00265215 -0.00211851 65
19562 234 H 11.3388 32.5561 86.2045 -0.00495262 -0.012 -0.0128173 65
19563 235 H 12.6999 31.4281 86.1485 0.0132065 0.00166705 -0.00776398 65
19564 236 H 14.2592 33.1667 86.6872 -0.00381981 -0.00177524 -0.00906695 65
19565 237 H 12.9503 34.355 86.8716 -0.012516 0.00028439 0.0107556 65
19566 238 H 11.8251 33.0146 88.5869 -0.00859378 -0.0130946 -0.00434843 65
19567 239 H 13.0142 31.7048 88.3612 0.00241281 0.00367095 -0.0110805 65
19568 240 H 14.8253 33.1736 89.3571 0.000490547 -0.0003012 -0.00911315 65
19569 241 H 13.6244 34.4932 89.4778 -0.00189193 0.00357153 -0.000630349 65
19570 242 H 12.2464 33.0089 90.9546 -0.00742683 -0.00383569 -0.0132649 65
19571 243 H 13.4896 31.7458 90.7296 0.0166568 0.0017685 0.00394265 65
19572 244 H 15.1771 33.1367 91.7921 -0.000115045 -0.00774313 0.00511627 65
19573 245 H 13.9258 34.4258 92.1477 -0.000171151 0.00175435 -0.000535114 65
19574 246 H 12.6223 32.7553 93.4656 -0.00158886 -0.0196799 0.00514434 65
19575 247 H 13.8286 31.5567 93.1572 0.00627177 -0.00286919 0.0158382 65
19576 248 H 15.5681 33.0045 94.3805 0.00385578 0.00221801 0.00274173 65
19577 249 H 14.2709 34.226 94.6205 -0.00860379 -0.00255999 -0.00248717 65
19578 250 H 14.0982 31.4888 95.8923 0.0156379 0.000987057 -0.000698452 65
19579 251 H 14.7141 32.9859 96.6555 -0.00207321 -0.00317244 0.0053154 65
19580 252 H 13.0138 32.8838 96.0433 0.00241452 -0.00757354 0.0197237 65
19581 253 H 21.2365 36.43 81.7244 0.00707506 -0.00183378 0.00931066 65
19582 254 H 19.5431 37.1105 81.753 0.00427137 -0.00582438 -0.0120024 65
19583 255 H 19.3536 36.3434 84.0639 -0.00201004 0.00384922 -0.00130978 65
19584 256 H 20.952 35.5702 83.9907 -0.00238581 0.00252317 0.00316323 65
19585 257 H 22.2319 37.4852 83.81 -0.000836988 0.0025384 0.0106652 65
19586 258 H 20.8653 38.4171 83.3314 0.00157642 -0.00494034 -0.00238823 65
19587 259 H 21.3588 39.0995 85.5853 0.00181418 -0.00166748 0.00023295 65
19588 260 H 19.8438 38.1123 85.6601 -0.00107404 -0.00890508 0.000759842 65
19589 261 H 21.156 36.1979 86.5274 -0.0273279 0.00536832 -0.00389429 65
19590 262 H 22.5789 37.2725 86.4019 -0.00022359 -0.00629522 -0.00850496 65
19591 263 H 21.4376 38.8894 87.9695 0.00349462 0.00422074 -0.0122019 65
19592 264 H 20.0166 37.8788 88.0389 0.00539952 -0.00161927 0.003529 65
19593 265 H 21.4245 36.0934 89.1479 -0.000257841 -0.000182027 -0.00834036 65
19594 266 H 22.7626 37.2246 89.215 0.0036583 0.012471 -0.0207639 65
19595 267 H 21.5189 38.8471 90.593 0.0107845 -0.00281224 0.00466043 65
19596 268 H 20.0597 37.9969 90.4904 -0.000236958 0.00556149 0.0104005 65
19597 269 H 21.2116 35.965 91.6599 0.0047302 0.00139404 -0.0299072 65
19598 270 H 22.6233 37.0062 91.8701 -0.00040945 0.00610259 -0.0191921 65
19599 271 H 21.1352 38.7502 93.0262 0.0119575 -0.000249632 -0.000349249 65
19600 272 H 19.7808 37.6397 92.9114 -0.00347027 -0.00341069 0.00437716 65
19601 273 H 20.9865 36.0268 94.4074 -0.0146058 0.00524693 0.00132339 65
19602 274 H 22.3204 37.1223 94.4768 0.00303951 0.00663236 0.00478483 65
19603 275 H 20.8089 38.8521 95.6146 -0.000550412 0.000945877 -0.000692029 65
19604 276 H 19.5221 37.6293 95.613 6.37673e-05 0.0110734 -0.00311005 65
19605 277 H 21.0144 37.3937 96.5552 -0.0135736 0.00781189 0.00916514 65
19606 278 H 19.381 28.71 83.094 -0.00205803 6.19267e-05 0.0013484 65
19607 279 H 21.0868 28.9722 82.766 -0.00994426 -0.0135842 0.00217593 65
19608 280 H 19.4929 30.1273 85.0743 0.00964175 0.00846351 0.0114677 65
19609 281 H 21.2527 30.2943 84.906 -0.0111205 0.00592281 0.0212341 65
19610 282 H 21.5984 27.8765 85.0485 0.00210504 -0.00310422 0.00461266 65
19611 283 H 19.902 27.578 85.1912 -0.00671848 0.00803356 -0.00682804 65
19612 284 H 21.575 29.1084 87.2585 -0.00125979 -0.00497875 0.00721614 65
19613 285 H 21.2593 27.3647 87.3266 -0.00415449 -0.00656884 -0.00837518 65
19614 286 H 18.7678 28.1783 87.0279 0.0130501 -0.0104419 -0.00994624 65
19615 287 H 19.389 29.7612 87.6235 0.00117491 0.00173803 -0.00522807 65
19616 288 H 19.6539 27.0595 89.0608 -0.00243087 0.000671727 -0.0136674 65
19617 289 H 18.3737 28.26 89.3474 0.00275057 -0.0114633 0.00619876 65
19618 290 H 20.1707 29.8619 90.1605 -0.00653396 0.00246734 0.0138659 65
19619 291 H 21.3877 28.6449 89.8553 -0.00303235 -0.00416467 0.00459262 65
19620 292 H 19.9658 27.0847 91.3563 -0.0117296 -0.000599803 0.00530175 65
19621 293 H 18.8966 28.3734 91.7712 -0.00478608 -0.00926288 -0.0109823 65
19622 294 H 20.7082 29.6566 92.8504 -0.000770462 -0.00245808 -0.000296072 65
19623 295 H 21.8349 28.2987 92.3389 -0.00292164 -0.0102096 -0.00328899 65
19624 296 H 20.5597 26.7368 93.7065 -0.010285 -0.00374929 0.0034525 65
19625 297 H 19.2904 27.8115 94.1356 0.000837312 -0.00978284 -0.0037828 65
19626 298 H 20.7169 29.1549 95.5253 -0.0143829 -0.0062707 0.00485105 65
19627 299 H 22.1872 28.3442 94.9142 0.00414988 -0.00833888 0.00616767 65
19628 300 H 21.6041 26.2595 96.0516 0.00732818 0.0146449 -0.00933982 65
19629 301 H 20.0344 26.9486 96.5611 -0.00386079 -0.00579092 -0.00354475 65
19630 302 H 21.5403 27.6721 97.2046 0.00987693 0.0148367 -0.00945388 65
19631 1 C 23.9519 42.508 79.0664 0.000106592 -0.00512485 0.0018197 66
19632 2 C 24.0137 42.3396 77.6707 -0.00161584 0.00743404 0.00160964 66
19633 3 C 23.4294 41.1831 77.1236 0.000798013 0.000494965 0.00184923 66
19634 4 C 22.8672 40.1828 77.9491 0.00236082 0.000687846 -0.00462584 66
19635 5 C 22.8718 40.3467 79.3513 -0.000737778 0.0011701 -0.000889184 66
19636 6 C 23.3413 41.5475 79.9077 0.000698559 -0.00377053 -0.00360189 66
19637 7 C 18.3314 39.2512 79.2489 -0.00077424 0.00806452 0.00142369 66
19638 8 C 18.3966 39.0504 77.8609 0.00197053 0.00295689 0.00266715 66
19639 9 C 19.622 38.9351 77.2286 -0.000215775 -0.000868476 -0.00381796 66
19640 10 C 20.795 38.9317 78.0151 0.00419129 -0.00139633 0.00254664 66
19641 11 C 20.7476 39.0755 79.4468 0.00143252 0.00512007 0.000360862 66
19642 12 C 19.4845 39.2308 80.0759 0.0026489 0.000830892 0.00635101 66
19643 13 C 24.3089 35.9452 79.7095 0.00274546 -0.000816673 -0.00168441 66
19644 14 C 24.4122 35.8918 78.3167 -0.0024407 0.0042588 0.00142106 66
19645 15 C 23.6884 36.781 77.5388 -0.00308085 -0.00200931 0.00621612 66
19646 16 C 22.957 37.7848 78.2059 -0.0015486 -0.00390239 -0.00290648 66
19647 17 C 22.2171 38.8892 77.4454 0.0025868 0.00187592 0.00043985 66
19648 18 O 23.5416 36.827 81.832 0.0014408 -0.00303996 -0.00181943 66
19649 19 O 19.3779 39.4844 81.4186 0.00204761 0.0024498 -0.000394241 66
19650 20 O 23.3746 41.6659 81.266 -0.00179629 -0.000590877 -0.0050592 66
19651 21 C 23.5911 36.9257 80.4295 -0.00243339 -0.0013255 -0.0022076 66
19652 22 C 22.2119 38.705 75.965 -0.00120175 -0.0042694 -0.00134825 66
19653 23 C 22.0333 38.5282 74.7821 0.00115271 0.00116285 -0.00200991 66
19654 24 C 21.7263 38.1291 73.4788 -0.000580447 0.00709401 0.0027022 66
19655 25 C 20.8934 38.9176 72.6898 0.00233388 0.00604218 0.00198991 66
19656 26 C 20.4074 38.435 71.4724 -0.00129326 -0.00284887 0.00255879 66
19657 27 C 20.7809 37.1357 71.0895 0.00187474 0.000773881 -0.000809657 66
19658 28 C 21.6848 36.3773 71.8445 0.00138667 0.00231295 -0.0028039 66
19659 29 C 22.1451 36.8736 73.0452 -0.00126568 0.00155582 0.00125623 66
19660 30 C 20.4167 36.6029 69.809 -0.00153897 0.00169165 0.00193366 66
19661 31 C 20.2064 36.2714 68.6657 -9.05525e-05 -0.00135416 -0.0012683 66
19662 32 C 18.0096 32.7435 66.918 0.000743738 0.00544069 -0.000313185 66
19663 33 C 18.0146 32.6238 65.4963 0.00266242 0.00171493 -0.00106043 66
19664 34 C 18.7052 33.5275 64.6688 0.00137636 0.00408527 -0.00192392 66
19665 35 C 19.28 34.6779 65.2647 -0.00405922 0.00149835 0.00150053 66
19666 36 C 19.3211 34.8071 66.7047 0.00166745 0.00294945 -0.00137827 66
19667 37 C 18.6625 33.8595 67.481 0.00155874 0.000701802 0.000968036 66
19668 38 C 20.0462 36.0489 67.1955 0.0035832 -0.00311704 -0.0102199 66
19669 39 C 23.8388 36.0875 66.2865 -0.0023366 0.00107915 3.97438e-05 66
19670 40 C 23.7123 35.9329 64.879 -0.00178211 0.00154913 -0.00466701 66
19671 41 C 22.4745 35.8638 64.3107 -0.00148549 0.002123 -0.00235604 66
19672 42 C 21.3218 35.9366 65.0949 0.000379419 -0.00179747 -0.00352887 66
19673 43 C 21.4215 36.0023 66.4843 -0.000910312 -0.000640921 0.00246138 66
19674 44 C 22.695 36.0726 67.0929 -0.00145213 0.00417855 0.00166704 66
19675 45 C 18.1994 39.3343 66.4419 -0.00240261 0.00227079 -0.00088069 66
19676 46 C 18.2732 39.3244 65.0317 -0.000146484 0.00180191 0.00339022 66
19677 47 C 18.8084 38.2146 64.3651 -0.00178156 -0.000626245 -0.000471187 66
19678 48 C 19.313 37.1317 65.111 0.000683465 -0.00528486 -0.000945319 66
19679 49 C 19.9085 35.839 64.5373 0.000903955 0.0027314 -0.00170688 66
19680 50 C 19.2888 37.1722 66.5172 -0.00171942 -0.00116317 0.000191974 66
19681 51 C 18.6887 38.2366 67.1913 0.00349242 0.000498714 -0.00295646 66
19682 52 O 22.3738 35.5455 62.9887 0.000991407 0.00145022 -0.00277751 66
19683 53 O 18.7903 33.3223 63.3191 -0.000512562 -0.000453625 -0.000951554 66
19684 54 O 18.8105 38.2533 63.0006 0.00229368 -0.00139781 0.001302 66
19685 55 C 22.1667 39.1539 80.0979 -0.000617444 0.00204698 0.00494283 66
19686 56 C 22.9094 37.8757 79.6406 0.000149585 -0.00293647 -0.0018344 66
19687 57 C 22.0702 34.1718 62.7385 8.19291e-05 0.000596979 -0.00420329 66
19688 58 C 21.5276 33.9656 61.3468 0.00226356 0.00289651 -0.00454131 66
19689 59 C 21.1312 35.1798 60.5078 -0.002776 0.00303862 -0.00307592 66
19690 60 C 20.9215 34.7621 59.0391 0.00146717 0.00106869 0.00130881 66
19691 61 C 20.4933 35.907 58.1784 0.00159544 0.00218479 0.000767552 66
19692 62 C 20.1183 35.4379 56.7491 -0.000172939 0.00163985 -0.000381383 66
19693 63 C 21.2088 34.6539 56.0547 -0.00226031 -0.00133657 -0.000160769 66
19694 64 C 20.9227 34.41 54.5454 -0.0032933 -0.00288759 -0.000722326 66
19695 65 C 21.1133 35.6927 53.7187 -0.00176307 -0.00326344 -0.00102371 66
19696 66 C 21.2287 35.4423 52.1988 0.00430932 -0.00108918 0.00247483 66
19697 67 C 19.8447 35.1072 51.6205 0.00137227 0.00288593 0.00312212 66
19698 68 C 19.8713 35.0278 50.1022 -0.00437418 -0.00149209 -0.00154269 66
19699 69 F 19.5998 39.2161 70.7547 0.0021769 -0.000902811 -0.00190367 66
19700 70 C 17.7428 33.911 62.5257 -0.00240404 0.000965792 -0.00277184 66
19701 71 C 17.7365 33.2625 61.1315 -0.00343931 0.000185763 -0.00387351 66
19702 72 C 17.3607 34.3333 60.029 -0.00285674 0.00188328 -0.000379972 66
19703 73 C 17.292 33.826 58.5739 -0.000544637 -0.000553482 0.00163509 66
19704 74 C 16.3859 32.5904 58.3784 -0.00192625 -0.00384844 -0.00151826 66
19705 75 C 15.8377 32.5407 56.946 -0.00321485 -0.000859081 0.00107081 66
19706 76 C 16.8359 32.6633 55.7733 -0.0022156 -0.0019123 -0.000806329 66
19707 77 C 16.0066 32.6716 54.4904 0.00236669 -0.00134091 -0.0014317 66
19708 78 C 16.9187 32.6488 53.2843 0.00065877 0.00210244 -0.000863738 66
19709 79 C 16.0638 32.707 52.0045 0.00217322 0.00231855 0.00210571 66
19710 80 C 16.8299 32.689 50.7135 -0.00240757 0.000131674 0.00392032 66
19711 81 C 15.8795 32.9252 49.5485 0.000348331 -0.00100979 -0.00124328 66
19712 82 C 20.038 38.5936 62.3409 0.00501868 0.00260055 0.00423421 66
19713 83 C 19.9128 38.4726 60.7935 0.00076748 6.85228e-06 0.00226764 66
19714 84 C 20.1235 39.765 60.0112 -0.000631811 -0.00127069 -0.00170899 66
19715 85 C 20.8878 39.6923 58.6981 0.0013054 -0.00354066 0.00360487 66
19716 86 C 20 39.5457 57.4642 -0.00318176 0.00178339 0.00174831 66
19717 87 C 20.8703 39.1684 56.276 -0.0029646 -0.00261771 -0.000175895 66
19718 88 C 20.1328 38.8684 54.9573 -0.000557369 -0.00283329 -0.00156062 66
19719 89 C 19.6356 40.0502 54.1789 0.0027721 0.00042133 -0.000465607 66
19720 90 C 19.3265 39.5683 52.7642 0.00197484 0.00149346 0.00163701 66
19721 91 C 20.5779 39.4781 51.8668 0.000986738 0.000893102 0.00196271 66
19722 92 C 20.2182 39.0843 50.4469 -0.00281769 -0.00217066 0.00544747 66
19723 93 C 21.4751 38.7602 49.6008 0.00258554 -0.000597773 -0.00230081 66
19724 94 C 18.0891 39.6877 82.0774 0.000362326 0.000684295 -0.00160569 66
19725 95 C 18.2828 39.2415 83.5203 0.00395958 0.000954768 0.00534185 66
19726 96 C 17.163 39.7122 84.4338 -0.00508376 -0.00267097 -0.00131883 66
19727 97 C 17.4339 39.3489 85.9224 0.0017777 0.00274514 0.00178259 66
19728 98 C 16.5598 40.0422 86.9081 -8.89947e-06 0.00529344 -0.00159218 66
19729 99 C 17.1195 39.7919 88.3245 -0.000106397 0.0011812 -0.00136839 66
19730 100 C 16.2401 40.4339 89.345 0.00250466 0.000145853 -8.30612e-05 66
19731 101 C 16.5291 39.99 90.7712 0.00312715 0.000675617 -0.00105797 66
19732 102 C 17.8928 40.5542 91.3271 -0.00247619 -1.44382e-05 0.00269859 66
19733 103 C 18.1925 40.0029 92.7422 0.00139613 -0.000938172 0.00147992 66
19734 104 C 17.3555 40.6104 93.8667 0.00050229 -0.000715343 -0.00186808 66
19735 105 C 17.4262 39.7926 95.1709 -0.00375454 -0.000902442 0.0020046 66
19736 106 C 23.4387 42.885 81.9603 -9.35573e-05 -0.000442006 -0.00174332 66
19737 107 C 23.7197 42.4845 83.3979 0.00153439 0.00200415 -0.00284664 66
19738 108 C 23.9939 43.6184 84.3952 -0.000989396 -0.00127145 0.00175167 66
19739 109 C 24.2544 43.1117 85.8084 0.000788087 0.00100723 0.00268812 66
19740 110 C 24.1152 44.1298 86.9004 -0.00355947 -0.00184427 0.00116476 66
19741 111 C 24.7935 43.5811 88.1896 0.000400714 0.000464162 -0.00330103 66
19742 112 C 24.4165 44.3482 89.4751 -0.00108558 0.00132055 0.00112421 66
19743 113 C 25.0271 43.7042 90.7124 0.000764165 -0.000377772 0.00235215 66
19744 114 C 24.6784 44.4637 91.9695 -0.00245151 0.00392845 -0.000475634 66
19745 115 C 25.3058 43.7984 93.2072 0.00280708 -0.000820652 0.00556073 66
19746 116 C 24.8089 44.5334 94.4758 -0.00146512 -0.00175541 -0.0044394 66
19747 117 C 25.3456 44.0575 95.8158 0.000274299 0.000220366 0.00244298 66
19748 118 C 24.3412 35.757 82.4993 -0.00549842 0.00173226 0.00162927 66
19749 119 C 24.188 35.6218 84.0353 0.000998317 0.00171511 -0.00134964 66
19750 120 C 24.9264 34.3396 84.5166 -0.000776694 -0.00693299 -0.000816417 66
19751 121 C 24.8079 33.9207 85.99 -0.0036332 0.00237092 0.00295222 66
19752 122 C 24.5215 34.9776 87.0829 -0.000307605 -0.000395141 -0.00140876 66
19753 123 C 25.1212 34.3819 88.3965 -0.000902057 0.00362865 -0.000747261 66
19754 124 C 24.6641 35.1011 89.6485 0.000211492 0.000316877 0.00557409 66
19755 125 C 25.2712 34.4098 90.8962 0.00183929 0.000373208 -0.00500149 66
19756 126 C 24.8265 35.0756 92.2044 -2.23159e-05 -0.00255647 0.00399717 66
19757 127 C 25.1561 34.2578 93.4404 0.00163296 -0.00239554 -0.000485448 66
19758 128 C 24.3705 34.545 94.7246 0.000289255 -0.00139809 -0.00587858 66
19759 129 C 24.9231 35.7977 95.3902 0.000893242 0.000556401 0.00438759 66
19760 130 F 20.4489 40.1296 73.1202 0.00258171 0.00157049 0.00167541 66
19761 131 H 24.4391 43.3662 79.5199 0.0045818 -0.00429072 -0.00457254 66
19762 132 H 24.4814 43.081 77.0297 0.0129935 0.00270096 0.00680566 66
19763 133 H 23.5 41.0269 76.0512 -0.00302932 -0.00716668 0.00271278 66
19764 134 H 17.3768 39.4801 79.7132 -0.0101775 -0.00065718 -0.0137254 66
19765 135 H 17.4711 39.0621 77.2927 0.000206413 -0.00405686 0.0053904 66
19766 136 H 19.5724 38.8487 76.1472 -0.00316566 0.0098263 -0.00454615 66
19767 137 H 24.9515 35.244 80.2337 -0.00441147 -0.00123989 0.00651265 66
19768 138 H 25.0237 35.1342 77.8355 -0.000472406 0.0109193 -0.00655527 66
19769 139 H 23.8488 36.7414 76.4655 -0.00855822 0.00700926 0.00508013 66
19770 140 H 22.0489 35.422 71.4781 -0.0283805 -0.0154803 0.0141036 66
19771 141 H 22.7638 36.2826 73.714 0.00200293 0.00165825 -0.00168709 66
19772 142 H 17.5542 31.9751 67.5357 0.0149591 -0.00690014 -0.0051727 66
19773 143 H 17.5986 31.7436 65.0149 -0.0133963 0.00558507 0.00580067 66
19774 144 H 18.7764 33.8817 68.5608 0.00111081 -0.0146193 0.00135546 66
19775 145 H 24.8105 36.2064 66.7567 0.00248652 -0.00403963 -0.00863661 66
19776 146 H 24.6238 35.9141 64.2889 0.00309104 0.0119934 0.00247635 66
19777 147 H 22.8374 36.2063 68.1612 -0.0151108 -0.00422765 0.00451573 66
19778 148 H 17.7473 40.1708 66.9665 -0.00415504 0.00963348 -0.0141446 66
19779 149 H 17.93 40.2031 64.4936 -0.00901182 -0.00538906 -0.00269703 66
19780 150 H 19.851 35.7712 63.4439 -0.0143462 0.00698234 -0.00116362 66
19781 151 H 18.7079 38.3232 68.2737 -0.00689651 -0.003574 -0.00246052 66
19782 152 H 22.0919 39.2436 81.1886 0.00780209 -0.00597549 0.0061739 66
19783 153 H 22.9274 33.5163 62.9357 -0.00700434 -0.00745204 -5.53157e-05 66
19784 154 H 21.288 33.8021 63.413 0.0218686 -0.0136102 0.0133105 66
19785 155 H 20.62 33.3494 61.3601 -0.00967754 0.020965 0.0150811 66
19786 156 H 22.2608 33.3724 60.7864 -0.00886942 -0.00948549 -0.00599355 66
19787 157 H 21.9417 35.9189 60.4975 0.0017712 -0.0018476 0.00520606 66
19788 158 H 20.2471 35.6434 60.9626 0.00637994 0.00977649 0.0078909 66
19789 159 H 20.2237 33.9243 58.9182 0.0136588 -0.00734573 -0.0109259 66
19790 160 H 21.8956 34.4236 58.6652 0.0106821 0.0126074 0.0148233 66
19791 161 H 21.3074 36.6344 58.0707 0.00247701 0.00248981 0.00963011 66
19792 162 H 19.6475 36.4387 58.6314 0.00887557 0.00746471 0.00816747 66
19793 163 H 19.9107 36.3185 56.1287 0.00375832 0.00162327 -0.0017166 66
19794 164 H 19.1666 34.8924 56.7545 0.000465171 0.000506045 -0.00282439 66
19795 165 H 21.3026 33.6873 56.5648 0.0032416 0.00232755 0.00578567 66
19796 166 H 22.1661 35.1544 56.2457 0.00212204 -0.00778271 -0.00527607 66
19797 167 H 19.8922 34.0887 54.3499 -0.000863108 -0.0207753 0.0161167 66
19798 168 H 21.5691 33.5975 54.1914 -0.0100298 -0.0112565 0.00614276 66
19799 169 H 21.9821 36.2748 54.0502 -0.0061012 0.00491763 -0.00398651 66
19800 170 H 20.2439 36.3382 53.8944 -0.000756411 -0.00296595 0.00286725 66
19801 171 H 21.9389 34.6513 51.9279 -0.00118038 -0.00488772 -0.000833633 66
19802 172 H 21.6195 36.3425 51.7086 0.00190778 0.00111036 0.00460695 66
19803 173 H 19.1267 35.8956 51.8779 -0.00328121 -0.00255605 0.006783 66
19804 174 H 19.504 34.1423 52.0161 -0.00660965 0.00391587 -0.00126648 66
19805 175 H 18.842 35.0052 49.7233 -0.0101095 0.00367218 0.0137129 66
19806 176 H 20.4121 34.1416 49.7479 -0.00453588 -0.00179705 -0.00102544 66
19807 177 H 20.3661 35.9077 49.6729 0.00648776 -0.000437325 0.0131296 66
19808 178 H 16.7943 33.7187 63.0421 0.00671849 0.000990807 0.0140145 66
19809 179 H 17.9494 34.9787 62.3819 -0.0165412 0.00339267 -0.00493605 66
19810 180 H 18.688 32.7509 60.9409 -0.00368178 0.00198711 -0.00986815 66
19811 181 H 16.9762 32.4729 61.174 -0.0127758 0.00961586 0.0045131 66
19812 182 H 16.3883 34.7921 60.2467 0.00044645 0.0126481 -0.00828865 66
19813 183 H 18.0922 35.1505 60.0052 -0.00892713 0.00750281 0.00659432 66
19814 184 H 16.9135 34.6481 57.954 -0.00758927 -0.00167351 0.0044383 66
19815 185 H 18.2943 33.5481 58.2252 0.00118602 0.00563853 0.00168408 66
19816 186 H 16.9801 31.6836 58.5459 0.0052837 0.00165682 0.00270546 66
19817 187 H 15.5385 32.6439 59.073 0.00785196 0.012922 0.00914127 66
19818 188 H 15.2234 31.639 56.8323 0.00979042 -0.00949286 -0.000367305 66
19819 189 H 15.0873 33.3326 56.8308 0.00891687 0.0109243 0.00325687 66
19820 190 H 17.4345 33.5812 55.8228 -0.00653466 0.00107043 -0.0037719 66
19821 191 H 17.4707 31.7727 55.6884 -0.0146277 -0.0113947 0.00572733 66
19822 192 H 15.3765 31.7737 54.4965 -0.00240481 0.00200052 -0.00380558 66
19823 193 H 15.3679 33.5631 54.5205 0.00551452 0.000817509 0.00165007 66
19824 194 H 17.5811 33.5198 53.3611 0.00914617 -0.00311289 -0.0153667 66
19825 195 H 17.4432 31.6919 53.1713 0.0055871 0.00436394 0.00311549 66
19826 196 H 15.3329 31.8891 52.0137 -0.00174986 0.00593985 0.01442 66
19827 197 H 15.4039 33.5831 52.025 0.00964938 0.00816998 -0.00815399 66
19828 198 H 17.5804 33.4888 50.7336 -0.00220607 3.84687e-05 5.29487e-05 66
19829 199 H 17.3038 31.7029 50.6323 0.00656487 0.00472501 0.000719957 66
19830 200 H 16.5308 32.8887 48.6665 -0.0042256 -0.0102597 -0.00423134 66
19831 201 H 15.1448 32.1166 49.4499 0.00379837 -0.00506279 0.00628952 66
19832 202 H 15.4023 33.9124 49.5828 -0.00310488 -0.00190757 -0.0233839 66
19833 203 H 20.4113 39.5946 62.59 -0.0127082 0.0093439 0.00360831 66
19834 204 H 20.7988 37.8641 62.6451 -0.00488941 -0.00563273 0.00924394 66
19835 205 H 20.682 37.7672 60.4554 -0.00863591 -0.00491372 -0.00893508 66
19836 206 H 19.0054 37.9649 60.4438 0.00903662 -0.00647889 -0.00986556 66
19837 207 H 19.121 40.1729 59.8319 0.00274816 0.00847926 0.0015624 66
19838 208 H 20.6235 40.5373 60.6086 -0.00105755 -0.0029678 0.000832694 66
19839 209 H 21.4634 40.6055 58.5027 0.00775834 -0.00586526 0.0118818 66
19840 210 H 21.5832 38.8479 58.7802 0.00996863 0.00501278 0.0183386 66
19841 211 H 19.2569 38.7596 57.6462 -0.00088046 -0.00247582 -0.00730267 66
19842 212 H 19.4472 40.4768 57.2883 -0.00557646 6.20109e-05 0.000161891 66
19843 213 H 21.5946 39.9462 56.0044 -0.00203375 -0.000679634 0.00795343 66
19844 214 H 21.4708 38.28 56.5075 -0.00247935 -0.0029126 -0.00255281 66
19845 215 H 20.8929 38.3821 54.3335 0.00418957 -0.000806394 0.00263785 66
19846 216 H 19.3409 38.1449 55.1873 0.00279402 -0.00683658 -0.00259269 66
19847 217 H 18.7523 40.4459 54.6954 -0.00191912 0.0173282 -0.0214265 66
19848 218 H 20.3876 40.8489 54.1729 -0.00285964 0.00563854 -0.0110423 66
19849 219 H 18.8554 38.5779 52.7397 0.000618137 0.00228536 -0.00485921 66
19850 220 H 18.5953 40.2246 52.2763 0.00267443 0.00587738 0.00650001 66
19851 221 H 21.1192 40.4296 51.7962 0.000840724 2.37343e-05 -0.0110949 66
19852 222 H 21.2778 38.7569 52.3064 0.00645722 0.0115669 0.0108005 66
19853 223 H 19.5793 38.1949 50.3834 0.00260407 -0.00673105 0.0148957 66
19854 224 H 19.7274 39.9121 49.9204 -0.0048671 -0.0205038 -0.0215738 66
19855 225 H 21.2484 38.7756 48.5276 0.000851536 0.0194758 -0.00164301 66
19856 226 H 22.322 39.4329 49.7841 0.00712888 -0.00710862 0.000579461 66
19857 227 H 21.7221 37.7224 49.8564 -0.0137139 -0.00508058 -0.00455714 66
19858 228 H 17.7967 40.745 82.0728 0.00551317 0.00199811 -0.0208432 66
19859 229 H 17.3254 39.0137 81.6703 0.0133924 -0.00502632 -0.0166427 66
19860 230 H 18.3673 38.1488 83.5682 -0.00224491 0.000238034 -0.000135738 66
19861 231 H 19.2133 39.6697 83.9131 0.00312857 -0.00164207 0.0101478 66
19862 232 H 17.1218 40.8023 84.3182 0.00262965 -0.00113382 0.010636 66
19863 233 H 16.1448 39.4593 84.1133 -0.00284608 -0.015985 0.00221865 66
19864 234 H 17.4321 38.261 86.0636 0.00212856 0.00309312 0.00444996 66
19865 235 H 18.4797 39.6118 86.1241 0.00238449 0.000474987 0.00158754 66
19866 236 H 16.5714 41.1219 86.7146 -0.00475261 0.00447028 -0.00643908 66
19867 237 H 15.5372 39.6555 86.8181 0.00616694 -0.00990081 -0.00637686 66
19868 238 H 17.1847 38.7101 88.4943 0.0144735 -0.000932193 -0.020272 66
19869 239 H 18.1539 40.1364 88.446 0.00413908 -0.0121296 0.000426527 66
19870 240 H 16.3516 41.5233 89.2803 -0.00377059 0.000805724 0.000170049 66
19871 241 H 15.1999 40.2413 89.0544 0.00393186 -0.00498189 -0.00178426 66
19872 242 H 15.7102 40.2921 91.4358 0.00250181 0.0100555 -0.00610962 66
19873 243 H 16.5873 38.8972 90.8473 0.00617805 0.00109749 0.00282352 66
19874 244 H 18.6989 40.1573 90.6977 -0.0119083 -0.00272423 -0.00767226 66
19875 245 H 17.8743 41.651 91.3394 -0.00307247 -0.000143873 0.014469 66
19876 246 H 17.977 38.9307 92.6563 0.000843439 0.000339865 -0.0134328 66
19877 247 H 19.2648 40.0619 92.9662 0.00337385 0.00245549 -0.00887739 66
19878 248 H 17.6679 41.6489 94.032 -0.00803484 0.00245582 -0.00560462 66
19879 249 H 16.3206 40.6384 93.504 -0.00974078 -0.00313644 0.0273291 66
19880 250 H 18.4726 39.7435 95.4967 -0.00323356 -0.0202852 -0.00262913 66
19881 251 H 16.8213 40.2951 95.9357 -0.0103784 -0.0108953 0.00331805 66
19882 252 H 17.0431 38.7813 94.9865 -0.0157797 0.00198304 0.0112002 66
19883 253 H 24.2422 43.5317 81.5867 0.00223676 0.00015122 0.00430128 66
19884 254 H 22.4765 43.405 81.8749 0.00319304 0.00829127 0.0144578 66
19885 255 H 22.8687 41.8885 83.7499 0.0025773 0.00225624 0.000100814 66
19886 256 H 24.5963 41.8295 83.3211 -0.00218787 -0.00353385 0.0019996 66
19887 257 H 24.7858 44.2886 84.0387 0.000745692 -0.0025765 0.00316399 66
19888 258 H 23.0965 44.2483 84.3596 0.00454625 0.00674246 0.00378857 66
19889 259 H 23.5602 42.2797 85.9793 0.00594979 -0.00454393 -0.00325301 66
19890 260 H 25.2149 42.5823 85.8361 0.00323411 0.00582185 0.00925981 66
19891 261 H 24.5044 45.1106 86.6003 0.0116814 -0.0068383 0.00471109 66
19892 262 H 23.0517 44.3179 87.0924 -0.00216963 0.00545513 0.00175013 66
19893 263 H 24.4245 42.5489 88.2321 0.00761598 -0.00224688 -0.00647176 66
19894 264 H 25.8828 43.5609 88.0615 -0.000246715 9.3258e-06 -0.00874674 66
19895 265 H 24.8419 45.3538 89.3691 -0.00044603 0.000517415 -0.00397281 66
19896 266 H 23.3248 44.434 89.5394 -0.00162416 -0.00770249 0.00395624 66
19897 267 H 24.6197 42.6868 90.7598 0.00228275 -0.00113662 -0.000791277 66
19898 268 H 26.1096 43.5961 90.5711 0.00068377 0.0122896 -0.00794442 66
19899 269 H 25.0388 45.4977 91.9042 0.00216302 0.00261143 0.00406686 66
19900 270 H 23.582 44.4897 91.9947 -0.00274675 -0.0109103 0.0021077 66
19901 271 H 25.0027 42.7445 93.1788 -0.00372861 0.00132655 -0.00552269 66
19902 272 H 26.3963 43.8911 93.1316 0.00390692 -0.00638351 0.0146487 66
19903 273 H 24.9711 45.6073 94.3216 -0.00893885 -0.000696825 -0.00499028 66
19904 274 H 23.7226 44.383 94.5036 -0.000489011 -0.00679354 0.00639148 66
19905 275 H 24.8672 44.5797 96.6535 -0.00757169 -0.00356105 0.000318194 66
19906 276 H 25.1778 42.9764 95.8967 -0.00356473 0.00115601 0.00686678 66
19907 277 H 26.4347 44.1723 95.8788 0.000887069 -0.00281807 -0.00248712 66
19908 278 H 24.0612 34.7905 82.0625 0.00291188 0.00166313 -0.00361292 66
19909 279 H 25.3704 35.9574 82.1767 -0.00162175 -0.0244545 -0.00221736 66
19910 280 H 23.1162 35.6238 84.2689 0.00194808 -0.0124966 0.00304916 66
19911 281 H 24.5977 36.5152 84.5226 0.00358581 -0.00656895 0.0116247 66
19912 282 H 25.9932 34.4138 84.2721 -0.00138619 0.0097333 0.00159983 66
19913 283 H 24.6653 33.4869 83.8776 -0.00784262 -0.00415937 -0.00162789 66
19914 284 H 25.7904 33.4816 86.203 0.00524557 0.0170388 -0.00771569 66
19915 285 H 24.1032 33.0863 86.0921 0.0107295 -0.0104245 -0.0024414 66
19916 286 H 23.4467 35.1871 87.1472 0.00172932 0.00858551 0.00337741 66
19917 287 H 25.0325 35.9114 86.8178 -0.00595891 0.00181659 -0.0045075 66
19918 288 H 26.2169 34.3862 88.3423 -0.000245654 0.000182152 0.0122693 66
19919 289 H 24.7743 33.3488 88.5219 -0.00286487 0.00633332 0.0162909 66
19920 290 H 23.5697 35.0508 89.706 0.000928308 -0.0146691 0.00653646 66
19921 291 H 25.0048 36.143 89.607 0.000593518 0.000216273 0.00617865 66
19922 292 H 26.3641 34.4299 90.8038 0.00304795 -0.00290556 0.00876642 66
19923 293 H 24.9106 33.3762 90.825 0.00563037 -0.00154009 0.00401137 66
19924 294 H 23.7372 35.1948 92.1544 -0.000732278 -0.0102206 0.00117483 66
19925 295 H 25.2869 36.0652 92.3148 -0.0175133 0.00701613 -0.00906656 66
19926 296 H 26.2319 34.2589 93.6548 0.00280009 0.00509747 -0.00647694 66
19927 297 H 24.9812 33.209 93.1706 -0.00791571 -0.0024613 0.00602747 66
19928 298 H 24.49 33.7515 95.4726 -0.0176482 0.00318621 0.00187363 66
19929 299 H 23.306 34.6701 94.4911 1.68554e-06 -0.00657926 -0.00734393 66
19930 300 H 24.2313 36.0946 96.1881 -0.00207871 0.00531395 5.29286e-05 66
19931 301 H 25.0043 36.6574 94.7137 0.00455071 -0.000968884 0.00288463 66
19932 302 H 25.9567 35.6627 95.7322 -0.00013855 0.000600201 0.00749902 66
19933 1 C 28.1664 35.6464 80.1524 9.86548e-05 0.00234978 -0.00196319 67
19934 2 C 28.1977 35.5025 78.7474 0.00123813 -0.00213492 0.000203063 67
19935 3 C 27.5739 34.4115 78.1483 -0.00231061 0.00138392 -0.000720847 67
19936 4 C 26.8526 33.5261 78.9867 0.0012789 0.000107954 -0.00143522 67
19937 5 C 26.814 33.6681 80.4039 -0.00337207 -1.05812e-05 0.00619209 67
19938 6 C 27.5101 34.7349 80.9908 0.00261241 -0.00128975 0.000118877 67
19939 7 C 22.1159 32.5652 80.2578 -0.00196955 0.00230445 0.00574464 67
19940 8 C 22.2424 32.5599 78.8527 -0.00481828 0.00188714 0.00273711 67
19941 9 C 23.4908 32.5156 78.2522 -0.00142447 0.00258054 0.00518353 67
19942 10 C 24.6392 32.5393 79.0364 -0.00284655 0.00111697 -0.00235333 67
19943 11 C 24.5614 32.5999 80.4417 -0.00560315 0.00253172 0.0029533 67
19944 12 C 23.2845 32.6355 81.0594 0.00192905 0.00438102 0.00860424 67
19945 13 C 27.8621 29.0641 80.7023 0.00137324 0.0018406 -0.000474403 67
19946 14 C 27.8108 28.9983 79.3028 0.00208574 -0.000353433 0.00256024 67
19947 15 C 27.211 30.0143 78.5729 0.00391985 0.000748027 0.00393364 67
19948 16 C 26.6348 31.1476 79.2132 -0.00074983 -0.000165173 0.00409268 67
19949 17 C 26.0251 32.3364 78.4678 -0.00315186 0.00231519 0.000976977 67
19950 18 O 27.3448 30.2441 82.7472 0.00170108 -0.00155715 0.00131328 67
19951 19 O 23.137 32.6371 82.4263 -0.000539227 -0.00106446 -0.000756393 67
19952 20 O 27.4702 34.964 82.3656 0.00109582 0.00107794 -0.000532332 67
19953 21 C 27.3211 30.1981 81.3751 0.00266003 -0.00549354 -0.00192029 67
19954 22 C 26.0056 32.1412 77.0107 0.00248022 -0.00122711 -0.00193768 67
19955 23 C 25.8415 31.821 75.842 -0.00792804 0.00190923 0.00127432 67
19956 24 C 25.4745 31.3756 74.5198 0.00130586 -0.00384882 -0.000705844 67
19957 25 C 24.5569 32.0983 73.7598 0.00209996 0.003016 -0.000102368 67
19958 26 C 24.1056 31.545 72.5911 -0.00294123 0.00328346 -0.00389512 67
19959 27 C 24.5449 30.2838 72.1603 0.00215369 -0.00346055 -0.00253674 67
19960 28 C 25.3938 29.4839 72.9667 -0.000615838 -0.00114258 -0.000126006 67
19961 29 C 25.8471 30.0753 74.17 -0.00228725 -0.00184464 0.00235788 67
19962 30 C 24.222 29.8418 70.8733 -0.00214397 0.00153343 -0.0023183 67
19963 31 C 24.0664 29.5758 69.7152 0.00175739 0.00267517 0.00177917 67
19964 32 C 22.2167 25.9691 67.7747 0.000500533 -0.00200862 0.0028612 67
19965 33 C 22.1941 25.9585 66.3655 -0.00105234 0.00094346 -0.000457718 67
19966 34 C 22.802 27.0029 65.6583 0.00438277 -0.000955936 0.00439872 67
19967 35 C 23.4118 28.0629 66.3065 0.000111415 0.0022693 0.00266449 67
19968 36 C 23.4454 28.0879 67.7171 0.00430971 -0.0061955 -0.00370249 67
19969 37 C 22.8384 27.0546 68.4413 0.000614271 0.00117326 8.97829e-06 67
19970 38 C 24.0689 29.3946 68.2603 -0.00487509 0.00160724 -0.00219892 67
19971 39 C 27.8668 29.4857 67.6744 -0.000325592 -0.0054054 0.000579951 67
19972 40 C 27.9025 29.5408 66.2811 -0.00564502 0.000557988 -0.000710344 67
19973 41 C 26.698 29.5014 65.5518 -0.00192237 -0.000948182 -0.00106594 67
19974 42 C 25.4862 29.4141 66.242 -0.00196302 -0.00179534 -0.00381513 67
19975 43 C 25.4411 29.4146 67.6312 -0.00462093 0.000145297 0.00369685 67
19976 44 C 26.6486 29.3655 68.3211 0.00193487 0.00446387 0.00152454 67
19977 45 C 21.8023 32.4002 67.2995 -0.000602845 0.0019918 0.000562185 67
19978 46 C 21.8824 32.3309 65.8975 -0.00609029 0.0019928 -0.00337069 67
19979 47 C 22.6337 31.2929 65.2551 0.00190755 0.000984193 0.00343069 67
19980 48 C 23.3074 30.4025 66.1069 0.00139295 -0.00215558 0.000268716 67
19981 49 C 24.1032 29.254 65.6208 -0.00228566 -0.000482098 -0.00061669 67
19982 50 C 23.2761 30.5136 67.5211 -0.000335315 0.00165705 0.00321262 67
19983 51 C 22.4924 31.4897 68.0836 -0.00247058 0.00298853 -0.00108151 67
19984 52 O 26.7317 29.7374 64.1772 0.00186117 0.00151634 0.00114656 67
19985 53 O 22.8095 26.9596 64.2596 0.0013821 0.00302815 0.00167575 67
19986 54 O 22.8143 31.2866 63.8961 0.00273911 -0.00271826 0.00387734 67
19987 55 C 25.9721 32.5459 81.1372 5.78022e-05 0.00439696 -0.000109912 67
19988 56 C 26.6828 31.2392 80.6035 0.00339732 -0.00309043 0.00207296 67
19989 57 C 26.5117 28.7601 63.1689 -0.000510237 0.00353228 -0.00216546 67
19990 58 C 26.0329 29.5268 61.9146 -0.00414253 -0.00124671 0.000734584 67
19991 59 C 25.8946 28.6943 60.6346 -0.00146846 0.000695945 -0.00342603 67
19992 60 C 25.4677 29.5652 59.4202 0.00198406 -0.000414438 -0.00208221 67
19993 61 C 25.1861 28.6271 58.23 7.61361e-06 -0.00473028 0.000650689 67
19994 62 C 24.9307 29.391 56.896 0.000701633 -0.00298412 -0.000792026 67
19995 63 C 24.9095 28.497 55.6213 0.000159157 0.00227155 -0.00124205 67
19996 64 C 24.6275 29.3599 54.3797 -0.00331979 -0.00349789 -0.00256753 67
19997 65 C 24.9956 28.7283 53.0044 -0.00281259 0.00254016 -0.00216004 67
19998 66 C 23.8398 27.992 52.3018 0.00216956 0.000404473 0.00398925 67
19999 67 C 24.2029 27.6909 50.8329 -0.0024046 0.00094926 0.00167685 67
20000 68 C 23.9713 28.9696 49.9616 0.000193633 0.0046084 -0.000684931 67
20001 69 F 23.2517 32.2585 71.8041 -0.00163636 -0.00508627 -0.00314535 67
20002 70 C 23.0947 25.6861 63.5992 -0.00304092 -0.00382687 0.007356 67
20003 71 C 23.8425 26.0412 62.3024 0.00337664 -0.00274371 0.0012074 67
20004 72 C 24.181 24.8792 61.3633 0.000796436 0.0023026 -0.00123892 67
20005 73 C 23.76 25.1123 59.8861 0.00234379 0.00157323 0.00253009 67
20006 74 C 24.302 24.0246 58.9492 -0.000993719 -0.00402808 -0.00162066 67
20007 75 C 24.8017 24.53 57.5836 -0.00462866 -0.00105515 0.00170391 67
20008 76 C 23.6915 24.7212 56.5149 -0.00328655 0.000214311 -0.0037615 67
20009 77 C 24.3641 24.8225 55.1002 -0.00177561 0.00458032 -0.00261101 67
20010 78 C 23.5226 24.4221 53.8916 0.00423199 0.00365019 0.005322 67
20011 79 C 24.4902 24.3219 52.6492 -0.00347918 0.00196016 6.90159e-05 67
20012 80 C 23.7462 24.0427 51.3318 -0.00319996 -0.003655 0.00318126 67
20013 81 C 24.7459 23.8524 50.1632 0.00014346 0.00459514 0.00169215 67
20014 82 C 22.0633 30.3389 63.0837 0.000231488 -0.00111518 0.000661835 67
20015 83 C 22.1002 30.7096 61.5946 -0.00381999 -0.00270123 -0.00220692 67
20016 84 C 21.8539 29.4912 60.6931 0.00132901 0.00276613 -0.0023603 67
20017 85 C 21.8088 29.8398 59.1679 0.00209175 -0.00297315 0.000697478 67
20018 86 C 20.6984 30.8841 58.8571 0.00275922 0.00204253 0.0027908 67
20019 87 C 20.0567 30.6551 57.485 0.000488697 0.000890695 0.00158065 67
20020 88 C 21.0239 30.7091 56.2935 -0.00188402 -0.00761514 0.000809782 67
20021 89 C 20.274 30.9545 54.9789 0.00060783 0.000770791 -0.00148554 67
20022 90 C 21.1849 30.84 53.7496 -0.00100256 0.00301064 -0.00205141 67
20023 91 C 20.6507 31.4036 52.3917 0.00372158 0.000560418 -7.62686e-05 67
20024 92 C 20.1351 30.3606 51.3745 -0.000985369 -0.00147121 0.00179813 67
20025 93 C 20.0401 30.9391 49.9462 -0.00417435 -0.000545896 0.00572036 67
20026 94 C 21.937 33.2106 82.9961 -0.00248274 -0.00201266 -0.00325706 67
20027 95 C 21.7846 33.1231 84.552 -0.000790968 0.00263961 0.000310087 67
20028 96 C 20.3422 33.1981 85.1319 0.0027132 -0.0034724 0.00160803 67
20029 97 C 20.2051 32.6522 86.5652 0.00172091 -0.000926887 -0.000246934 67
20030 98 C 21.12 33.2897 87.6673 -0.000617748 0.000326023 -0.0049456 67
20031 99 C 20.852 32.6169 89.023 -0.000380919 -0.00182104 0.00199707 67
20032 100 C 21.6025 33.2112 90.2784 -0.00347437 0.000996591 -0.00332262 67
20033 101 C 21.1378 32.5408 91.5819 0.0029938 0.00327338 0.00562135 67
20034 102 C 21.655 33.1155 92.8981 -0.000915874 -0.00116874 0.00188316 67
20035 103 C 20.7052 32.6175 94.0443 0.001026 -0.00385624 -0.0010407 67
20036 104 C 21.0199 33.058 95.4633 0.0030541 0.000518276 -0.000331104 67
20037 105 C 22.0798 32.1799 96.1542 -0.00218639 0.00178082 -0.00219325 67
20038 106 C 28.429 35.8203 83.0653 -0.00243743 8.3591e-05 0.00281463 67
20039 107 C 27.8553 36.5581 84.3208 0.000987488 0.00165402 0.00104825 67
20040 108 C 28.8671 36.7318 85.5334 -0.00386251 -5.09755e-06 -0.00039462 67
20041 109 C 28.1456 36.9746 86.8693 0.00291652 0.00309574 -0.00314122 67
20042 110 C 29.0487 36.8638 88.0942 -0.00159449 0.00179774 -0.00159232 67
20043 111 C 28.2004 36.8048 89.3479 0.00129944 0.000458175 -0.000644565 67
20044 112 C 29.0909 36.9612 90.5876 -0.00256119 -0.000510468 -0.00163413 67
20045 113 C 28.199 36.7251 91.8234 -0.00318896 0.00144258 -0.00212243 67
20046 114 C 28.9984 37.0036 93.0747 -0.00349575 0.00262839 -0.00221218 67
20047 115 C 28.1334 36.8528 94.3809 0.000559019 -0.00114314 0.00524658 67
20048 116 C 28.9092 37.3038 95.6428 0.00241531 0.00471492 -0.00420798 67
20049 117 C 28.0601 37.0242 96.9101 -0.00183167 0.00144621 -0.00186121 67
20050 118 C 27.7179 29.0889 83.5419 0.00122765 0.00222165 -0.00337393 67
20051 119 C 28.056 29.5287 84.9788 0.00269284 0.00171181 0.00400064 67
20052 120 C 28.3601 28.3828 85.9588 0.00513771 0.000620275 0.00119856 67
20053 121 C 28.6065 28.9214 87.4103 -0.00363229 -0.00175662 0.00230783 67
20054 122 C 28.769 27.7954 88.4342 -0.00596676 -0.000447573 -0.00408647 67
20055 123 C 28.6315 28.3501 89.9035 -0.00174955 0.000327884 0.00155156 67
20056 124 C 29.1291 27.2069 90.8135 -0.00121823 -0.00212953 0.00158581 67
20057 125 C 28.7559 27.2101 92.3118 0.00370771 0.00144463 0.00359918 67
20058 126 C 28.9813 28.5266 93.0744 0.00165963 0.00126173 -0.000293155 67
20059 127 C 29.1574 28.2843 94.5833 -9.44458e-05 -0.00127696 0.00405286 67
20060 128 C 27.9179 27.638 95.2386 -0.00143013 -0.000747093 -0.00220349 67
20061 129 C 28.0882 27.4814 96.7785 -0.00330401 5.00398e-06 -0.000525737 67
20062 130 F 24.2294 33.374 74.1725 -0.000194058 -0.00364469 -0.000348025 67
20063 131 H 28.6972 36.519 80.5216 -0.0113969 0.00766993 0.00193067 67
20064 132 H 28.6576 36.2643 78.1249 -0.00940562 0.00416075 2.1417e-05 67
20065 133 H 27.6833 34.2735 77.0767 0.00139026 -0.0077987 0.000834762 67
20066 134 H 21.1054 32.5485 80.6555 -0.00495262 0.00733773 -0.00160642 67
20067 135 H 21.3653 32.5491 78.2123 -0.00173579 -0.0015973 -0.00142417 67
20068 136 H 23.5343 32.4383 77.1698 -0.00537906 0.00289793 0.00500379 67
20069 137 H 28.3229 28.2473 81.2498 0.000590086 0.00331516 0.00239715 67
20070 138 H 28.3114 28.2183 78.7368 -0.0172671 -0.00676364 -0.0056971 67
20071 139 H 27.2115 29.9477 77.489 -0.00230485 -0.00484861 0.00427682 67
20072 140 H 25.7127 28.4959 72.648 0.00389637 0.0026308 -0.00731262 67
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20542 6 C 35.178 34.7123 80.6513 -0.00651078 -0.00324701 0.000894765 69
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20549 13 C 35.5948 28.909 80.2357 0.00479821 0.00117526 0.00142964 69
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20586 50 C 31.2635 30.6488 66.9129 -0.000500546 -0.00405261 0.000166545 69
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20601 65 C 32.5156 28.2073 53.5902 -0.00231774 -0.00514591 -0.00129287 69
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20608 72 C 31.8862 24.9192 60.7007 0.000199532 0.00599303 0.0006653 69
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20625 89 C 28.0917 30.0675 54.557 -0.000321904 -0.000502683 -0.00287025 69
20626 90 C 29.1291 30.6613 53.5975 -0.000686389 -0.00333617 0.00103961 69
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20636 100 C 29.0837 33.0699 90.4667 -0.000718073 -0.00217334 0.00151578 69
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20643 107 C 35.8345 36.2517 83.958 0.00367646 -0.00137264 0.00215589 69
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20648 112 C 36.2317 36.7769 89.3213 0.00359101 -0.0054721 0.00243242 69
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20652 116 C 35.706 36.2051 94.4381 -0.000589589 -0.000478425 0.00364571 69
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20655 119 C 35.9799 29.0397 84.5839 -0.00541367 0.00376063 0.00131469 69
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20657 121 C 37.1076 28.1192 86.7508 -0.00165998 0.00132163 0.00287911 69
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20662 126 C 36.3243 27.7617 93.1345 -0.00267496 -0.00106528 -0.000116205 69
20663 127 C 37.2558 27.5541 94.3459 0.00205034 -0.00302244 0.00726615 69
20664 128 C 36.431 27.6725 95.669 -0.00119204 0.00218433 0.000261689 69
20665 129 C 37.2925 27.323 96.8822 0.000955594 -0.000497284 -0.000495152 69
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21142 2 C 43.9021 35.5451 78.6591 0.000674451 -0.00225586 0.00394709 71
21143 3 C 43.2908 34.5209 77.9466 0.00394795 -0.00247907 0.000245015 71
21144 4 C 42.5499 33.5292 78.629 -0.00259187 -0.00213041 0.00255891 71
21145 5 C 42.4771 33.5744 80.0306 0.000798829 0.00347657 0.0016959 71
21146 6 C 43.1394 34.5576 80.7988 0.00321099 0.00331598 0.003919 71
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21151 11 C 40.2956 32.4252 79.8946 -0.00227806 0.000388425 -0.00118698 71
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21154 14 C 43.6973 29.0269 78.5821 -0.00193801 -0.0012602 0.00220464 71
21155 15 C 43.0856 30.0707 77.9132 -0.00511451 -0.00408079 -0.00330197 71
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21165 25 C 40.2618 32.142 73.2813 -0.00141781 -0.000861605 -0.000721125 71
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21200 60 C 41.6653 28.6619 58.6403 -0.000796989 -0.00377323 -0.00854539 71
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21202 62 C 39.8729 28.4371 56.8011 -0.00264919 0.000248236 -0.000306555 71
21203 63 C 39.518 27.9064 55.3568 0.000858026 0.00259552 0.00101415 71
21204 64 C 40.3963 28.4058 54.1881 -0.0052326 -0.000997707 0.000569176 71
21205 65 C 39.8398 27.891 52.8268 0.00153408 0.00126968 -0.0030333 71
21206 66 C 40.6976 28.3725 51.5943 -0.000671544 -0.00319887 -0.000946968 71
21207 67 C 40.0277 27.8339 50.272 2.97476e-05 0.00648617 0.00131492 71
21208 68 C 40.7201 28.2755 48.9798 -0.000720209 -0.00305397 -0.00160994 71
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21445 3 C 47.1085 41.098 77.1715 -0.00470012 0.00345921 0.000533783 72
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21449 7 C 41.8616 39.2201 79.1184 -0.00667793 -0.00240749 0.00239809 72
21450 8 C 42.0135 39.0745 77.7455 -0.000873592 -0.00172628 -0.00173995 72
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21457 15 C 47.2861 36.6995 78.1071 0.00027593 0.0026061 0.000190392 72
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21502 60 C 44.1179 35.8567 58.634 0.00401748 -0.0024585 -0.00150087 72
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21510 68 C 43.7105 36.3092 49.0746 -0.00684374 0.00049283 0.00413065 72
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21513 71 C 41.1864 34.345 60.9883 -0.00309088 0.00184729 0.000619346 72
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21516 74 C 40.9801 32.3025 57.5227 0.00129771 -0.00170706 -0.000848685 72
21517 75 C 40.7417 33.5726 56.6094 -0.000955096 0.00212842 -0.00291268 72
21518 76 C 40.9468 33.2804 55.1059 -0.00128711 0.00107615 0.00330102 72
21519 77 C 39.8461 32.5126 54.3378 0.00290011 0.000418356 0.00372773 72
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21523 81 C 40.0326 32.0296 49.6631 -0.00129484 -0.000681787 -0.00482009 72
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21525 83 C 43.1188 39.3991 61.541 -0.000454845 -0.00103725 0.00391369 72
21526 84 C 43.8719 40.5141 60.7818 -0.000427644 0.00426763 0.00147712 72
21527 85 C 44.2919 40.0286 59.399 0.00225381 -0.00124204 -0.00101937 72
21528 86 C 43.3677 40.3204 58.2265 -0.000512064 -0.00113665 -0.00237912 72
21529 87 C 43.8909 39.587 56.9453 -0.00309605 -0.000796114 0.000280501 72
21530 88 C 43.1786 39.972 55.6404 -0.00574456 0.00224591 0.00101455 72
21531 89 C 43.8359 39.3249 54.4131 -0.00145355 -0.00103621 0.000484543 72
21532 90 C 43.2522 39.7885 53.08 -0.00194628 0.00155141 -0.00197993 72
21533 91 C 44.2495 39.535 51.8854 -0.0053015 -0.00192803 0.00148216 72
21534 92 C 43.6213 39.736 50.5245 0.00132315 -0.000186411 -0.00114418 72
21535 93 C 44.6835 39.648 49.4295 0.00222727 0.000582235 0.000562334 72
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21537 95 C 41.3665 39.4265 83.3985 -0.00163836 0.00313063 0.00315424 72
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21540 98 C 40.5471 38.8509 86.5138 -0.000460285 0.00128452 -0.00519273 72
21541 99 C 40.1802 39.393 87.9164 0.00122597 0.000919146 0.00272119 72
21542 100 C 40.669 38.5509 89.1535 -0.000632352 0.00553424 -0.00113743 72
21543 101 C 40.1163 39.1279 90.4548 -0.00262364 -0.00146277 0.00416974 72
21544 102 C 40.8003 38.6733 91.7444 -0.00228719 -0.00443413 0.00168228 72
21545 103 C 40.0136 39.134 92.9862 0.000765745 -0.000806351 -0.000352247 72
21546 104 C 40.6003 38.7114 94.3192 0.00343174 0.00158551 0.00292228 72
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21552 110 C 47.3011 43.6953 87.1092 0.000420092 0.00052827 -0.00132324 72
21553 111 C 48.1979 43.3148 88.3008 0.00310652 0.00172698 0.0017125 72
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21668 226 H 44.2916 39.5352 48.4111 0.00633362 0.00212385 -0.0011968 72
21669 227 H 45.3418 40.5251 49.4029 -0.00250219 0.00421258 0.00342089 72
21670 228 H 40.6035 39.6516 81.4594 -0.00194281 0.00840344 0.016389 72
21671 229 H 41.2711 38.0154 81.7096 -0.000946392 0.00228885 -0.00654041 72
21672 230 H 42.1089 38.8116 83.9221 -0.00572571 -0.00638314 -0.00225324 72
21673 231 H 41.7481 40.4468 83.5284 0.00728525 0.000146149 0.00049769 72
21674 232 H 39.2089 39.906 83.3973 -0.00642443 -0.00913519 -0.00267868 72
21675 233 H 39.6193 38.2707 83.8869 -0.0148241 0.00581739 0.011589 72
21676 234 H 40.0499 40.7475 85.6111 -0.00425419 -0.00134307 0.00736971 72
21677 235 H 38.6973 39.6626 85.67 0.000850868 0.00953085 0.001304 72
21678 236 H 40.2413 37.7974 86.5234 -2.71083e-06 0.00121111 0.00356726 72
21679 237 H 41.6364 38.886 86.3896 0.000503382 -0.00778312 0.00056094 72
21680 238 H 40.6093 40.3984 88.0084 -0.003191 0.00167931 0.0149644 72
21681 239 H 39.0873 39.4822 87.9477 -0.000722185 -0.0246667 0.00791974 72
21682 240 H 40.3964 37.5018 88.9842 -0.00961913 0.00857583 -0.00559197 72
21683 241 H 41.7614 38.624 89.223 -0.00195945 0.0172972 0.00773713 72
21684 242 H 40.0414 40.2223 90.4509 -0.00233237 -0.00146159 6.36915e-05 72
21685 243 H 39.0842 38.7562 90.4629 -0.00556402 0.00628581 -0.0135869 72
21686 244 H 40.7765 37.5777 91.7941 0.0083816 -0.0041463 0.0132965 72
21687 245 H 41.8561 38.9712 91.7442 -0.00410214 0.00196927 -0.00138608 72
21688 246 H 39.9766 40.2303 92.9746 -0.0101746 -0.00107493 0.00915181 72
21689 247 H 38.9731 38.7914 92.9283 -0.00156173 0.00407 0.0124113 72
21690 248 H 40.878 37.6547 94.2206 0.00859713 0.00380111 -0.00649134 72
21691 249 H 41.523 39.2684 94.5236 0.000837578 -0.000673456 0.0207678 72
21692 250 H 39.1815 39.9584 95.4346 -0.0190511 -0.00810731 -0.000250588 72
21693 251 H 38.7078 38.2753 95.3394 0.0118409 -0.0160653 0.00192544 72
21694 252 H 40.0125 38.7671 96.4425 -0.000808509 -0.0208216 -0.005406 72
21695 253 H 48.4756 41.5182 82.5632 -0.009019 -0.00360437 0.00602331 72
21696 254 H 48.5796 42.8359 81.4098 0.0070693 -0.00371873 0.00300236 72
21697 255 H 48.1664 44.2063 83.2248 -0.00975159 0.00409621 0.00729619 72
21698 256 H 46.5622 43.8597 82.7702 -0.00902207 0.0012475 0.0246537 72
21699 257 H 46.0196 43.3386 84.8324 0.00153089 0.00323642 0.00311155 72
21700 258 H 46.8985 41.8597 84.6515 -0.00389034 -0.000603559 0.00651806 72
21701 259 H 48.7588 42.568 85.8366 0.00674862 0.00537925 0.0118184 72
21702 260 H 48.5887 44.2813 85.5051 -0.0128262 0.00659193 -0.000150792 72
21703 261 H 47.0915 44.7705 87.1673 -0.0140644 -0.00227676 -0.00212786 72
21704 262 H 46.379 43.1054 87.1815 0.00931377 -0.0132907 -0.000229111 72
21705 263 H 48.1932 42.2209 88.3828 -0.000516177 0.0021564 0.00732395 72
21706 264 H 49.2135 43.6689 88.085 -0.00203602 0.00798465 -0.0122925 72
21707 265 H 48.1516 44.9464 89.7725 -0.00387699 0.000195079 -0.00259872 72
21708 266 H 46.6479 44.0025 89.7086 0.00161924 0.00129012 -0.00943816 72
21709 267 H 47.4729 42.1467 90.8061 -0.000728852 -0.000244337 0.0155372 72
21710 268 H 49.1957 42.6932 90.7125 -0.00348975 -0.0103684 -0.019138 72
21711 269 H 48.8669 44.4308 92.2983 0.00320053 -0.00190792 0.00162473 72
21712 270 H 47.1258 44.208 92.3364 0.00264467 0.00793771 -0.00185114 72
21713 271 H 47.5137 41.8354 93.2311 -0.00247291 0.00177717 0.0084463 72
21714 272 H 49.2538 42.1363 93.2392 -0.00198399 0.0105932 -0.0155477 72
21715 273 H 47.105 43.6491 94.8459 0.0125528 0.0132381 -0.00451013 72
21716 274 H 48.0183 42.3233 95.5387 -0.0236115 0.00168454 -0.00265419 72
21717 275 H 50.1529 43.6954 95.1985 0.00329043 0.00468731 0.00619768 72
21718 276 H 49.1723 44.9981 94.5895 0.00593711 0.00801939 0.00941085 72
21719 277 H 48.915 44.4767 96.2576 0.0158251 0.00548842 0.000319675 72
21720 278 H 45.8486 36.9513 83.9416 -0.01481 0.00255343 -0.0113089 72
21721 279 H 45.6158 35.7392 82.6597 -0.00211644 0.0036921 -0.00458065 72
21722 280 H 48.4725 36.1406 83.432 0.000735909 -0.00265421 0.018775 72
21723 281 H 47.5837 34.5849 83.292 -0.00101528 -0.00344545 0.00257023 72
21724 282 H 46.4628 34.9522 85.3863 0.00183365 0.00101478 0.0125668 72
21725 283 H 47.4722 36.306 85.7751 0.00913918 -0.00588742 -0.00327723 72
21726 284 H 49.4213 34.9679 86.1068 0.00824708 -0.0122918 -0.00336892 72
21727 285 H 48.7431 33.567 85.2545 0.0133205 -0.0133808 0.0197066 72
21728 286 H 48.6975 32.8898 87.3741 -0.0121976 -0.00899137 -0.0135544 72
21729 287 H 47.0521 33.4395 87.2514 -0.000557631 0.000162527 0.00777226 72
21730 288 H 47.5357 35.5019 88.4706 -0.00349703 -0.00568477 0.00875302 72
21731 289 H 49.3031 35.1945 88.352 0.00638389 -0.0146759 -0.0149749 72
21732 290 H 49.2724 33.2896 89.7301 -0.00315666 0.00249211 -0.00136596 72
21733 291 H 47.5047 33.2112 89.8604 0.00262188 -0.00594413 -0.00745241 72
21734 292 H 47.4698 35.2971 91.1173 -0.000598446 0.00127325 0.00708904 72
21735 293 H 49.1973 35.5718 90.9247 -0.0046096 -0.0008618 -0.0154856 72
21736 294 H 49.6434 33.4457 92.349 -1.56866e-07 -0.000293675 0.0191986 72
21737 295 H 47.9239 33.2912 92.592 -0.0052434 0.0123448 0.0130522 72
21738 296 H 47.7234 35.3963 93.7466 -0.0089244 -0.0121685 -0.000858258 72
21739 297 H 49.393 35.8317 93.349 -0.0151776 0.00767907 -0.00849931 72
21740 298 H 50.1798 33.7675 94.7015 0.00134672 0.000125672 -0.00686947 72
21741 299 H 48.5527 33.5316 95.1934 0.00489404 -0.0124144 -0.0189043 72
21742 300 H 48.6522 35.9175 96.3223 0.0022705 0.00644813 -0.0019501 72
21743 301 H 50.356 36.0595 95.8734 -0.00867823 0.010548 -0.00217078 72
21744 302 H 49.8672 34.8063 96.9495 -0.0156871 -0.0049963 0.00704823 72
ITEM: TIMESTEP
103000
ITEM: NUMBER OF ATOMS
21744
ITEM: BOX BOUNDS pp pp pp
0.0000000000000000e+00 4.7073061717199998e+01
0.0000000000000000e+00 4.0766467281007898e+01
0.0000000000000000e+00 9.6958885940000002e+01
ITEM: ATOMS id type element xu yu zu vx vy vz mol
1 1 C 1.62945 6.71367 31.6807 -0.00209481 0.00351663 0.00126217 1
2 2 C 1.82386 6.57954 30.2989 0.000374511 0.00185823 -0.00119362 1
3 3 C 1.41585 5.42677 29.6354 0.00162819 -0.00268996 0.00150217 1
4 4 C 0.779069 4.38414 30.3555 0.000861812 0.00383987 -0.00145376 1
5 5 C 0.611895 4.45948 31.753 0.000679227 0.00420028 0.000354741 1
6 6 C 1.06657 5.65797 32.4385 -0.00152317 -0.00373014 0.00246923 1
7 7 C -3.89133 3.2414 31.1204 0.00103282 -0.000341298 0.00101459 1
8 8 C -3.64777 3.31103 29.7174 -0.00335362 -0.00115987 -0.0014532 1
9 9 C -2.32629 3.24928 29.2246 0.000228077 -0.00232392 -0.00208757 1
10 10 C -1.2654 3.18473 30.1089 -0.00312187 0.000546247 -0.00162591 1
11 11 C -1.47825 3.23283 31.5132 0.00185261 -0.000796838 -0.000222409 1
12 12 C -2.80459 3.23531 32.0173 0.00067209 0.000492667 -0.00308531 1
13 13 C 1.64754 -0.275574 31.8676 -0.00198265 -0.000342273 -0.00499116 1
14 14 C 1.88574 -0.172814 30.5002 -0.000600506 0.00330175 0.00231735 1
15 15 C 1.41908 0.877638 29.7665 0.00347514 -0.00310679 -0.00240696 1
16 16 C 0.819216 1.96631 30.3987 -0.00282274 0.00141707 0.00247759 1
17 17 C 0.215134 3.15176 29.6918 0.00261222 -0.00393775 0.00167941 1
18 18 O 0.951438 0.699121 33.9624 -0.00147902 1.94979e-05 0.00316165 1
19 19 O -2.9996 3.41976 33.3783 -0.00303906 -0.00205685 0.00119713 1
20 20 O 0.913255 5.87237 33.8173 0.000744342 -0.00247002 -0.000369643 1
21 21 C 1.06733 0.829433 32.5758 0.00176513 0.00182171 -0.00455221 1
22 22 C 0.525028 3.08793 28.2673 -0.00393294 -0.00453067 -0.00385124 1
23 23 C 0.936486 3.17487 27.1409 -0.00159117 0.00169835 -0.000880369 1
24 24 C 1.57364 3.23843 25.8545 0.00150637 0.000431629 -0.0029298 1
25 25 C 1.26756 4.25994 24.9198 -0.000328315 -0.0022307 0.000331109 1
26 26 C 2.08139 4.46038 23.7963 -0.00177252 0.00147363 0.000575243 1
27 27 C 3.17742 3.58908 23.5475 0.00242724 0.00217355 0.00307502 1
28 28 C 3.46881 2.54315 24.4457 0.00575023 -0.00189963 0.00114411 1
29 29 C 2.68867 2.40322 25.5759 0.00338228 -0.00223085 0.0010491 1
30 30 C 3.93485 3.7256 22.3314 0.00218094 0.00273475 -9.37662e-06 1
31 31 C 4.47774 3.76571 21.2405 0.00217051 0.00227817 -6.33727e-05 1
32 32 C 3.3063 0.2353 19.0495 0.000332244 0.00130124 -0.00254438 1
33 33 C 3.50873 0.203715 17.673 0.00377035 0.00100283 0.0038245 1
34 34 C 4.12051 1.28757 17.0216 0.00250426 -0.000571474 -0.00155562 1
35 35 C 4.5922 2.38449 17.775 -0.00223861 -0.000431269 -0.00187524 1
36 36 C 4.39675 2.40125 19.1749 0.00651978 0.000871036 0.00197325 1
37 37 C 3.76926 1.30153 19.8263 0.000314547 -0.00128933 0.0016053 1
38 38 C 4.89633 3.7032 19.8246 0.00120275 2.15208e-05 -0.00176539 1
39 39 C 8.80052 3.67676 19.7892 -0.00278262 -2.43276e-05 0.00149244 1
40 40 C 9.00472 3.6365 18.4074 0.00311291 -0.00330639 -0.00273072 1
41 41 C 7.89798 3.60667 17.5124 -0.00210313 0.000708398 0.00482403 1
42 42 C 6.58342 3.64643 18.0386 -0.000119132 0.00253277 0.00283201 1
43 43 C 6.39472 3.67831 19.4538 -0.00149543 0.00894832 0.000941639 1
44 44 C 7.51159 3.70264 20.3102 -7.59353e-05 0.00421627 0.000838914 1
45 45 C 3.23151 6.99952 18.6514 -0.000593013 0.000292624 0.00479982 1
46 46 C 3.41857 6.83001 17.2597 -0.000193875 0.00326603 -0.00633316 1
47 47 C 4.09563 5.74239 16.7683 0.000930658 -0.00259738 -0.00252211 1
48 48 C 4.58621 4.8013 17.6483 -0.00114369 0.00119425 -0.00261021 1
49 49 C 5.31195 3.59048 17.1991 -0.000278604 -0.00364218 0.00279659 1
50 50 C 4.34572 4.88324 19.0137 -0.00219821 0.00179131 -0.00278385 1
51 51 C 3.74353 6.02867 19.5259 0.00334171 0.00512733 0.000446097 1
52 52 O 7.97878 3.55022 16.1246 -0.00281205 0.000920889 -0.00127989 1
53 53 O 4.0862 1.31729 15.6243 0.000235154 -0.00419784 -0.001452 1
54 54 O 4.42724 5.6981 15.413 0.00225576 0.00410641 -0.00405701 1
55 55 C -0.13546 3.22678 32.3218 -0.00104475 -0.000286606 0.00379554 1
56 56 C 0.645888 1.99017 31.8079 -0.00247584 0.00410629 0.00138194 1
57 57 C 9.201 3.62662 15.3917 -0.00129716 0.00220589 -0.0042975 1
58 58 C 9.09257 2.8098 14.0794 -0.0019207 0.00183778 0.000179524 1
59 59 C 8.20764 3.47291 12.9896 0.00371122 0.000203768 0.000465191 1
60 60 C 8.26239 2.69142 11.6572 0.00215067 -0.00211008 -0.00520079 1
61 61 C 7.38985 3.30575 10.5891 0.00349297 -0.00237694 0.00303239 1
62 62 C 7.16402 2.43668 9.35576 -0.000333702 -0.00129837 0.00143859 1
63 63 C 7.25911 3.17427 8.03761 0.00422359 0.00104163 -0.0029025 1
64 64 C 6.67903 2.42756 6.78809 -0.00109136 0.000435608 -0.00282814 1
65 65 C 7.09662 3.203 5.48108 0.00125225 -0.00183548 -0.00514986 1
66 66 C 6.80598 2.35306 4.21612 -0.000512711 0.00235129 0.00615283 1
67 67 C 7.01232 3.17409 2.97817 -0.00103073 0.00094371 -0.00656168 1
68 68 C 6.66901 2.47589 1.69117 0.00182294 0.00206336 -0.00178588 1
69 69 F 1.70812 5.44864 22.9394 0.00115388 -0.000242506 0.00144623 1
70 70 C 5.2256 1.25433 14.776 0.00155303 0.000988769 0.00229725 1
71 71 C 5.53567 -0.233374 14.3584 0.00123416 0.00248313 -0.000192688 1
72 72 C 6.43395 -0.191811 13.111 -0.0010645 -0.000749047 -0.000285517 1
73 73 C 6.64053 -1.56171 12.5136 0.00219836 -0.00322794 0.00137386 1
74 74 C 5.8364 -1.78872 11.2254 0.000800397 0.00266101 -0.00466463 1
75 75 C 6.50357 -1.20547 9.95547 -0.00127077 -0.00218833 -0.000488653 1
76 76 C 6.36886 -2.10951 8.7239 -0.00488574 0.0053773 0.0016938 1
77 77 C 6.71949 -1.43369 7.3643 0.00207371 0.00104882 0.00135148 1
78 78 C 6.8018 -2.46906 6.22644 0.00113007 0.00103866 0.00197467 1
79 79 C 7.28334 -1.92842 4.84147 0.000487438 -0.000340842 -0.000435335 1
80 80 C 6.09339 -1.18489 4.19524 0.00220656 0.000144191 -0.000794671 1
81 81 C 6.34446 -0.808831 2.71682 -0.000816201 -0.00178726 0.000341356 1
82 82 C 3.38709 5.82912 14.4333 -0.00214493 0.00059126 -0.00413226 1
83 83 C 3.16176 4.44985 13.7922 0.00120211 -0.0006265 0.00284515 1
84 84 C 3.95151 4.19871 12.4727 -0.00492081 0.00287264 3.8077e-07 1
85 85 C 3.31098 4.91705 11.2489 -0.00471828 0.00347334 -0.0032955 1
86 86 C 4.05736 4.65441 9.90633 0.000884974 0.00129497 -0.00086815 1
87 87 C 3.26038 5.22077 8.71571 0.00367121 -0.00177888 0.00398578 1
88 88 C 3.77971 4.66112 7.36894 0.00147247 -0.00155452 -0.00505948 1
89 89 C 3.02154 5.25852 6.13495 -0.00329288 0.000376156 -0.00013222 1
90 90 C 3.52183 4.71371 4.77927 0.00342219 -0.00252793 -0.00268543 1
91 91 C 2.92167 5.46908 3.58426 0.00012537 0.00365097 0.00225967 1
92 92 C 3.29364 4.84135 2.19944 -5.4448e-06 -0.00272616 0.000482197 1
93 93 C 3.12385 5.80334 1.03916 0.000485092 7.33909e-05 0.00228368 1
94 94 C -4.14985 4.16288 33.8592 -0.00311052 0.000105792 0.00222806 1
95 95 C -5.31871 3.23061 34.1735 0.000758689 0.00397297 -0.00121118 1
96 96 C -6.18425 3.50643 35.4162 -0.000471909 -0.00101766 0.00163647 1
97 97 C -5.42261 3.33178 36.7383 0.00276842 0.0025958 0.00350208 1
98 98 C -6.26846 3.63866 37.9881 -0.00155013 0.0030689 -0.00398064 1
99 99 C -5.54444 3.23786 39.2889 -0.00798247 -0.000659329 -0.00479296 1
100 100 C -6.18636 3.76778 40.5759 -0.00242394 0.000795619 0.00202422 1
101 101 C -5.61296 3.08629 41.8489 -0.00523432 0.000777383 0.00296486 1
102 102 C -6.06626 3.75565 43.1555 0.0043809 -0.00177078 -0.00326115 1
103 103 C -5.31333 3.22688 44.3902 -0.000509755 0.00150399 0.00298889 1
104 104 C -5.86209 3.78328 45.7413 0.00138664 0.00540967 -0.00081966 1
105 105 C -7.26872 3.26131 46.1312 0.0018429 0.0035744 0.000760958 1
106 106 C 1.81122 6.73333 34.619 -0.00101494 0.000715233 -0.000987697 1
107 107 C 1.21858 7.09175 35.9423 0.00213503 -0.00239044 -0.000490186 1
108 108 C 2.11743 7.81951 37.0271 -0.00232348 0.00307867 0.00077003 1
109 109 C 1.66567 7.33426 38.4298 -0.00375911 0.000841962 -0.000142332 1
110 110 C 2.43347 7.9679 39.6238 -0.000145028 -0.00141328 0.00473405 1
111 111 C 1.76353 7.53002 40.9569 -0.00552849 -0.00216731 -0.0026046 1
112 112 C 2.527 8.05484 42.1867 0.00590508 -0.000953826 -0.00241897 1
113 113 C 1.95801 7.47609 43.502 -0.000292477 0.000203401 0.000767513 1
114 114 C 2.72673 7.88979 44.7866 -0.00414942 -0.000805678 -5.39328e-05 1
115 115 C 2.3926 6.9819 45.9653 0.00280165 0.00220104 0.00248777 1
116 116 C 0.924352 7.03855 46.4763 0.00119731 -5.36526e-05 0.000279994 1
117 117 C 0.668751 8.14194 47.4881 -0.000610733 0.00100218 -0.000430482 1
118 118 C 1.89445 -0.0772923 34.7541 -0.00201294 -0.00277025 -0.00213302 1
119 119 C 1.41779 -0.326603 36.1891 -0.00211542 0.00617504 0.00460527 1
120 120 C 2.43784 -1.28243 36.8471 0.000934428 0.00323034 -0.00207441 1
121 121 C 2.28398 -1.57522 38.3411 0.00154939 0.000654802 0.00317783 1
122 122 C 2.20803 -0.384708 39.2967 -0.00201995 0.00182884 0.00495573 1
123 123 C 2.49656 -0.796372 40.7509 0.00121296 0.000123328 -0.000113175 1
124 124 C 1.41654 -1.67765 41.441 -0.000616557 -0.00218242 0.00114297 1
125 125 C 1.41947 -1.45789 42.9832 5.56973e-05 0.00339462 0.00259419 1
126 126 C 2.59498 -2.10563 43.7484 -0.000315127 0.00207799 0.00102026 1
127 127 C 2.70286 -1.73315 45.271 0.000716312 0.00176785 0.00271876 1
128 128 C 1.39456 -1.98006 46.0783 0.0044479 0.00148841 0.000692928 1
129 129 C 1.39666 -1.38308 47.4793 0.00128251 0.000580546 -0.000703817 1
130 130 F 0.24859 5.14676 25.1716 -0.00345723 0.000975865 0.00236956 1
131 131 H 1.94667 7.64599 32.1384 -0.00688666 0.00410526 0.00338924 1
132 132 H 2.21711 7.40477 29.7126 -0.00393795 0.00216253 -0.00366756 1
133 133 H 1.62007 5.37463 28.5701 0.000383182 0.00439921 0.000918614 1
134 134 H -4.90712 3.11553 31.4833 0.0012709 0.000579676 0.00199403 1
135 135 H -4.50665 3.34584 29.0536 0.00313536 0.00176749 -0.00966775 1
136 136 H -2.18824 3.22408 28.1477 -0.00110595 -0.00385469 -0.00222554 1
137 137 H 1.93379 -1.20139 32.3578 0.000535249 0.00393614 0.00161315 1
138 138 H 2.35221 -1.00676 29.9841 -0.00745873 0.00119419 -0.000473314 1
139 139 H 1.5132 0.776764 28.6893 0.0144173 0.00648509 -0.00233386 1
140 140 H 4.2736 1.82462 24.3215 0.00687842 0.00179572 -0.0126265 1
141 141 H 2.96953 1.6498 26.3059 -0.0109186 -0.00970474 -0.00116644 1
142 142 H 2.77482 -0.566355 19.5537 -0.00163332 0.00456814 0.000585654 1
143 143 H 3.09705 -0.592135 17.0594 -0.00243517 0.00685171 0.000372255 1
144 144 H 3.57546 1.305 20.8949 0.00727681 -0.0133245 0.00289933 1
145 145 H 9.65642 3.73867 20.4548 -0.00925503 0.00307394 0.00953148 1
146 146 H 10.0284 3.58715 18.0481 0.00350102 0.00328909 -0.00251635 1
147 147 H 7.39646 3.73494 21.3896 0.00487134 0.00186951 0.00144123 1
148 148 H 2.69118 7.81409 19.1246 -0.0075095 7.92712e-05 -0.00277483 1
149 149 H 3.049 7.58253 16.5694 -0.0107589 -0.0172969 -0.0230985 1
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1513 3 C 20.9718 12.1323 29.2723 -0.00258013 -0.00119605 -8.54068e-05 6
1514 4 C 20.3976 11.081 30.0261 -0.000393269 0.000376157 -0.000723688 6
1515 5 C 20.2431 11.2111 31.4165 0.00110681 0.00372481 0.00352032 6
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1517 7 C 15.7327 10.0677 30.8643 -0.0047997 0.00154632 0.000458033 6
1518 8 C 15.9306 9.91833 29.488 0.000135995 -0.00219937 0.00143184 6
1519 9 C 17.2116 9.78363 28.9665 0.00317497 0.0011421 -0.00134396 6
1520 10 C 18.307 9.87429 29.8305 0.00129008 0.00193351 0.001184 6
1521 11 C 18.1214 9.97475 31.2452 -0.00110943 0.00144582 0.00104228 6
1522 12 C 16.7982 10.0859 31.7807 -0.000302522 -0.00486516 0.00267211 6
1523 13 C 21.36 6.58995 31.7554 0.00457889 0.00200512 -0.000325177 6
1524 14 C 21.4239 6.4931 30.3818 4.66338e-05 -0.00539985 -0.00210411 6
1525 15 C 20.9373 7.52515 29.6035 -0.00399449 -0.00378478 0.00197559 6
1526 16 C 20.3739 8.67857 30.1944 0.0011219 0.00215236 -0.00234714 6
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1539 29 C 22.1579 8.65934 25.358 0.000164289 0.000122546 -0.0036184 6
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1630 120 C 22.1685 5.35686 36.3027 0.000496456 5.2319e-05 0.00286996 6
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1637 127 C 22.4542 4.98916 44.4925 -0.000969305 -0.00023105 -0.00144817 6
1638 128 C 21.8744 5.50864 45.8773 -0.00360572 0.00237544 0.00404205 6
1639 129 C 22.6577 4.95806 47.0883 0.000930014 6.66909e-05 0.000492804 6
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1749 239 H 12.8289 11.1556 39.7397 0.000598941 -0.001659 0.00370124 6
1750 240 H 12.9052 8.96631 40.8531 0.0052964 -0.00570596 -0.00116189 6
1751 241 H 14.6716 8.93038 40.7851 -3.41774e-05 -0.00440013 -0.00405097 6
1752 242 H 14.8963 10.8573 42.1882 0.00190076 -0.0113406 -0.00150757 6
1753 243 H 13.1331 11.1871 42.2639 0.010476 0.00991579 -0.00332598 6
1754 244 H 12.7136 9.10948 43.4443 0.000836254 0.00440749 -0.0112801 6
1755 245 H 14.4131 8.63182 43.2716 0.00369002 0.00373084 -0.00583996 6
1756 246 H 15.0962 10.6679 44.5547 0.00352219 -0.0131253 -0.0250046 6
1757 247 H 13.3935 11.1239 44.7858 -0.00232331 -0.00173428 -0.00184869 6
1758 248 H 12.9567 9.23407 46.2421 9.95856e-05 0.00159604 -0.00713003 6
1759 249 H 14.4697 8.44828 45.7102 0.00481923 -0.00353146 0.00657288 6
1760 250 H 14.8983 9.09763 47.941 -0.0104777 -0.00550311 -0.0104861 6
1761 251 H 15.8296 10.1575 46.8668 0.00269238 -0.0129273 -0.000536908 6
1762 252 H 14.3095 10.7858 47.6171 0.00465676 0.00776045 -0.00696155 6
1763 253 H 22.3335 13.432 34.1715 0.00170284 0.0201277 -0.00512461 6
1764 254 H 21.0577 14.6168 33.7474 -0.0098655 0.00229917 0.000618423 6
1765 255 H 19.8092 14.0899 35.6591 0.00737222 0.00329724 0.00874334 6
1766 256 H 20.5366 12.4643 35.8791 0.00752807 -0.00444632 0.000351781 6
1767 257 H 22.6828 13.6207 36.4255 -0.000990869 0.00269694 0.00699575 6
1768 258 H 21.7734 15.1902 36.4359 0.012682 -0.00478088 -0.0031677 6
1769 259 H 20.3253 14.1112 38.2539 0.00180064 0.00835955 0.00348707 6
1770 260 H 21.395 12.7169 38.1368 0.0098641 -0.00256867 -0.0130462 6
1771 261 H 23.0893 15.009 38.5306 -0.00130344 0.00274303 0.00379041 6
1772 262 H 21.6389 15.3495 39.5205 -0.0036825 -0.00156227 0.00645192 6
1773 263 H 23.1369 12.7278 39.6376 0.00199206 -0.00109314 0.000796984 6
1774 264 H 23.7935 14.0979 40.4651 -0.00489782 0.0073899 0.00059522 6
1775 265 H 20.8386 13.256 40.9112 -0.00538292 0.0169486 0.00567288 6
1776 266 H 22.1231 12.3829 41.7172 -0.0140768 -0.00277705 0.0118491 6
1777 267 H 23.0198 14.4723 42.7607 0.00385736 0.00183116 0.00149261 6
1778 268 H 21.64 15.4006 42.0694 0.0134332 -0.000418268 -0.00836324 6
1779 269 H 20.0045 14.3512 43.3427 0.00166611 -0.00796051 0.00173986 6
1780 270 H 21.1218 13.0379 43.836 0.0196264 0.0016022 -0.00327419 6
1781 271 H 22.516 14.8496 45.0565 -0.00514133 0.01624 0.00789235 6
1782 272 H 21.2435 16.066 44.5833 -0.00779859 0.00339967 0.00364195 6
1783 273 H 19.6114 14.7467 45.9561 0.00334833 0.00921143 -0.00928477 6
1784 274 H 21.0024 13.6909 46.4729 0.00412024 -0.00143238 -0.00465987 6
1785 275 H 22.0853 15.6711 47.513 -0.00162241 0.00456792 0.00301061 6
1786 276 H 20.7283 16.67 46.9517 0.0053205 0.00148077 -0.0111717 6
1787 277 H 20.4166 15.4413 48.1145 -0.0013723 0.00554252 -0.000476375 6
1788 278 H 20.1175 6.709 35.5522 -0.00739043 -0.00910627 0.00150934 6
1789 279 H 19.907 5.75344 34.0766 -0.000205915 -0.00870982 0.014416 6
1790 280 H 22.7549 6.57838 34.6059 0.00537226 -0.0139821 0.00317721 6
1791 281 H 22.1174 4.99701 34.1894 0.000945581 0.00270374 0.00893448 6
1792 282 H 23.1819 4.93678 36.3093 0.00640671 0.0144078 0.0119269 6
1793 283 H 21.4323 4.61072 36.6262 -0.00355269 -0.00289887 -0.0131577 6
1794 284 H 21.1406 6.96662 37.3626 0.00411848 0.00314685 0.00379649 6
1795 285 H 22.8767 7.24411 37.1304 0.00845565 -0.00769597 -0.000696344 6
1796 286 H 22.7492 6.74203 39.4326 -0.000767184 0.00390544 -1.73294e-05 6
1797 287 H 23.2499 5.19988 38.7764 -0.0129967 -0.0179457 0.000551856 6
1798 288 H 21.3396 4.11486 39.4246 -0.00123422 -0.00107135 0.00473709 6
1799 289 H 20.292 5.46052 38.9232 -0.000416461 0.00940051 0.0117825 6
1800 290 H 20.1288 5.12013 41.246 -0.00166296 -0.00102906 -0.0110392 6
1801 291 H 20.9013 6.70861 40.969 0.0051733 -0.00439978 -0.00110289 6
1802 292 H 23.0801 5.67059 41.6258 0.00212123 -0.000551787 -0.00664749 6
1803 293 H 22.2233 4.1065 41.8404 -0.0131807 -0.000281199 -0.00126246 6
1804 294 H 20.6352 5.47565 43.4593 -0.00451944 0.00956433 -0.022817 6
1805 295 H 21.8514 6.77938 43.4169 0.0157725 -0.00362642 -0.000598692 6
1806 296 H 23.5207 5.23088 44.4053 0.00187855 -0.00608765 0.0174327 6
1807 297 H 22.2985 3.90482 44.4343 0.00682416 -0.00129706 -0.00221821 6
1808 298 H 20.8413 5.15879 45.9947 -0.00126666 -0.00623674 -0.000997228 6
1809 299 H 21.8582 6.60524 45.8528 0.00334155 0.00251411 0.00582557 6
1810 300 H 22.4837 3.88781 47.2546 -0.00405478 0.00143592 0.0041105 6
1811 301 H 22.3111 5.45115 48.0049 0.0010295 0.0153312 -0.00769441 6
1812 302 H 23.7429 5.08856 46.9942 0.000809373 -0.00334651 -0.00563473 6
1813 1 C 25.2352 6.66175 30.936 -0.000117168 0.00146779 0.0011052 7
1814 2 C 25.411 6.62399 29.563 -0.00322392 -0.00526706 -0.00252544 7
1815 3 C 24.9426 5.53662 28.8444 -0.00347818 -0.00272318 -0.00231772 7
1816 4 C 24.3186 4.48892 29.5332 -0.000858155 0.00280222 -0.00269173 7
1817 5 C 24.1925 4.46762 30.9718 0.00180391 0.00229364 -0.0032888 7
1818 6 C 24.6519 5.60443 31.6875 0.000311191 -0.00379355 0.000786648 7
1819 7 C 19.7461 3.08382 30.5472 0.00545639 0.000451228 -0.000773152 7
1820 8 C 19.8862 3.13036 29.1455 0.00404816 0.000587053 0.00389917 7
1821 9 C 21.1427 3.20635 28.5213 0.0025261 -0.000800371 -0.000698378 7
1822 10 C 22.268 3.1862 29.3459 0.00101421 -0.00378897 -0.000868274 7
1823 11 C 22.1429 3.17805 30.7706 -0.00497277 0.00513401 -0.00421855 7
1824 12 C 20.8839 3.15379 31.3747 0.0012826 0.00451517 0.000939538 7
1825 13 C 25.5709 -0.0108137 30.8958 0.00213247 0.00167103 0.00035719 7
1826 14 C 25.5923 -0.0128698 29.4989 -0.000825702 -0.00189697 -0.000752986 7
1827 15 C 24.9673 1.03384 28.7786 0.000958745 0.000910177 0.00390981 7
1828 16 C 24.4102 2.07278 29.5232 -0.000769549 -0.00110886 -0.00257934 7
1829 17 C 23.7566 3.25078 28.8377 0.00046685 0.00102665 0.000975437 7
1830 18 O 24.8051 0.822009 33.0388 0.00231562 -5.91996e-05 -0.0014638 7
1831 19 O 20.7719 3.0974 32.7236 0.00267875 0.00446162 -0.00426478 7
1832 20 O 24.5808 5.72257 33.0938 6.83085e-05 0.00383411 0.00137649 7
1833 21 C 24.8704 0.937532 31.6279 0.000607179 0.00059917 -0.00215 7
1834 22 C 23.9317 3.26597 27.3612 -0.00369437 -0.000703158 -0.000225315 7
1835 23 C 24.3811 3.28268 26.2247 -0.00269454 0.000880972 0.000501063 7
1836 24 C 25.2076 3.31518 25.071 0.00179539 -0.00103565 0.00221747 7
1837 25 C 25.8414 2.14784 24.5465 -0.00146823 -0.00243304 -0.00703597 7
1838 26 C 26.7993 2.28415 23.5541 -0.0009794 0.000678702 0.00299513 7
1839 27 C 27.2191 3.5738 23.1128 -0.00335156 -0.00138979 -0.00396652 7
1840 28 C 26.6463 4.72636 23.684 0.00503108 -0.000473392 -0.00312704 7
1841 29 C 25.6712 4.58762 24.7095 -0.00294437 0.00377977 -0.00217648 7
1842 30 C 28.0395 3.66269 21.9611 -0.00652235 0.0027353 -0.00223012 7
1843 31 C 28.4449 3.6571 20.8269 -0.00185331 -0.00257945 -0.00178604 7
1844 32 C 27.3211 0.237013 18.5996 0.000205681 0.000161324 -0.00167279 7
1845 33 C 27.4267 0.257936 17.197 0.00219908 -0.00337344 0.00304566 7
1846 34 C 27.9253 1.40577 16.5223 0.000878886 -0.00399688 0.000137126 7
1847 35 C 28.2127 2.5305 17.2946 -0.000621122 0.00396329 -0.00111672 7
1848 36 C 28.0512 2.5189 18.6951 0.00215184 -0.000156549 0.000593185 7
1849 37 C 27.6048 1.34797 19.3601 -0.0016262 8.13474e-05 -0.00198755 7
1850 38 C 28.6893 3.72969 19.377 -0.00226274 -0.00275684 -0.00100301 7
1851 39 C 32.5209 3.64056 19.0167 0.00224605 -0.00146264 0.000633589 7
1852 40 C 32.5814 3.70957 17.6256 -0.00198613 6.80927e-05 0.000625516 7
1853 41 C 31.4614 3.91974 16.8565 -0.000827433 0.00183689 0.00104831 7
1854 42 C 30.2063 3.89385 17.479 0.00259927 -0.00439409 -0.00373235 7
1855 43 C 30.1239 3.80309 18.9027 0.00213576 0.00165617 0.00408455 7
1856 44 C 31.284 3.70274 19.6641 0.00388041 0.00312427 0.00370737 7
1857 45 C 26.5846 6.92596 18.6202 7.14825e-06 -0.00117565 0.00148905 7
1858 46 C 26.7056 6.93331 17.2191 0.0057062 0.00309111 0.00140872 7
1859 47 C 27.4895 5.97549 16.5614 0.00137664 -0.00536359 0.000648294 7
1860 48 C 28.073 4.9613 17.3202 -0.00137325 -0.00279746 0.000961334 7
1861 49 C 28.8723 3.81149 16.7462 -0.00158364 -0.00084786 -0.00187945 7
1862 50 C 27.9328 4.9175 18.7149 -0.0049743 -0.000783199 -0.00252362 7
1863 51 C 27.2658 5.97458 19.3952 -0.00158633 -0.000335763 0.00384566 7
1864 52 O 31.5779 4.16943 15.5135 0.00196532 0.000700743 0.000732765 7
1865 53 O 28.2016 1.37165 15.1702 -0.000729534 -0.000943054 0.00021448 7
1866 54 O 27.718 6.00419 15.181 -0.00367982 -0.00016729 0.00153075 7
1867 55 C 23.4868 3.2016 31.5104 -0.000644712 -0.0011319 -0.00541242 7
1868 56 C 24.2722 2.00625 30.9273 0.00426538 0.000893334 -0.0018368 7
1869 57 C 31.7818 3.1219 14.5879 -0.00175489 -0.00634922 -0.00280426 7
1870 58 C 31.7418 3.80404 13.1812 0.00227988 0.000513126 -0.00114064 7
1871 59 C 30.4162 3.76061 12.4637 -0.00469012 0.00285291 0.000665321 7
1872 60 C 30.3778 2.81326 11.2083 -0.00617956 0.000900442 0.00299531 7
1873 61 C 30.7997 3.49412 9.8566 0.00168092 0.0033358 0.00255434 7
1874 62 C 30.4485 2.61294 8.63034 -0.000760209 -2.28298e-05 -5.10288e-06 7
1875 63 C 30.553 3.39731 7.33704 0.00391721 -0.00207841 -0.00441482 7
1876 64 C 30.4062 2.57713 6.04235 0.00410662 0.0013933 -0.000884097 7
1877 65 C 30.2384 3.46962 4.79871 0.00243062 -0.00121928 0.00249475 7
1878 66 C 30.279 2.58555 3.51176 0.00112546 -0.00246838 0.000264995 7
1879 67 C 30.1609 3.35405 2.17274 0.00105676 0.000359416 -0.00150454 7
1880 68 C 30.414 2.44505 0.964992 -0.0015936 -0.0017987 -0.00142532 7
1881 69 F 27.3707 1.14815 23.0818 -0.00225388 -0.00078313 -0.000344532 7
1882 70 C 28.5599 0.119349 14.549 0.0041603 -0.000189536 0.00377513 7
1883 71 C 29.1849 0.419719 13.1651 -0.00252586 0.000440256 -0.00131156 7
1884 72 C 29.4695 -0.832123 12.362 0.00150857 0.00185276 0.00311129 7
1885 73 C 29.7329 -0.70553 10.8576 -0.00132803 0.00399721 -0.00142251 7
1886 74 C 30.4329 -1.95848 10.2678 -0.006167 0.00315802 0.00415991 7
1887 75 C 31.0853 -1.60432 8.9365 -0.0033948 -0.000583729 0.00134733 7
1888 76 C 30.1446 -1.33331 7.74779 -0.00170487 0.000792594 8.02388e-05 7
1889 77 C 30.9933 -0.919892 6.5272 0.00194202 -0.000509967 0.00255838 7
1890 78 C 30.2213 -0.735343 5.20809 -0.000644764 0.0033154 0.00054477 7
1891 79 C 29.8643 -2.12813 4.64066 -0.00300811 0.00215642 0.00172904 7
1892 80 C 29.1072 -1.95915 3.30982 -0.00124804 0.000102274 0.00596022 7
1893 81 C 29.9856 -1.43907 2.10494 -3.83403e-05 0.000827865 0.00181627 7
1894 82 C 26.9287 5.20473 14.3349 -0.000441074 -0.00128986 -0.00607751 7
1895 83 C 27.3059 5.42134 12.8825 0.0014597 0.000608495 -0.00149327 7
1896 84 C 26.986 4.24858 11.8998 0.00122395 0.00319085 -0.00414352 7
1897 85 C 27.4582 4.57152 10.4854 0.00420461 -0.00158188 0.00394767 7
1898 86 C 26.4719 5.47392 9.70426 -0.00238682 -0.00138769 0.00221189 7
1899 87 C 26.8101 5.5524 8.18291 0.00111554 -0.000146358 -0.00125372 7
1900 88 C 25.6731 6.03699 7.28922 -0.00328977 0.00235706 -0.00160775 7
1901 89 C 26.1247 6.25762 5.83052 0.00106656 0.000748315 0.000386715 7
1902 90 C 26.5684 4.99612 5.08423 -0.000652761 0.00449145 -0.000757944 7
1903 91 C 27.0435 5.27198 3.64835 0.00157946 0.00297892 -0.001528 7
1904 92 C 25.9896 5.98891 2.80364 -0.00117961 -0.00321025 -0.00533257 7
1905 93 C 26.302 5.93096 1.31517 -0.000777639 -0.000896969 -0.00309598 7
1906 94 C 19.4913 3.10128 33.3485 0.00416714 -0.00512635 -0.00132718 7
1907 95 C 19.6382 3.05455 34.8807 0.00246953 -0.00166479 0.00267775 7
1908 96 C 18.4308 3.52849 35.64 0.00209418 0.000196272 -0.00105414 7
1909 97 C 18.5721 3.41763 37.1795 -0.000238126 -0.000915642 0.00424286 7
1910 98 C 17.3868 3.90434 38.037 0.000541128 -0.00267731 0.00324433 7
1911 99 C 17.6622 3.99735 39.6085 -0.0012126 0.00188276 0.00310215 7
1912 100 C 18.026 2.65115 40.2921 -0.00201968 -0.000926003 -0.0011946 7
1913 101 C 18.6426 2.67518 41.7661 -0.000679381 0.000165454 0.00341721 7
1914 102 C 17.7616 3.25549 42.8709 -0.00117203 -0.00504047 -0.000413499 7
1915 103 C 18.5342 3.00039 44.2429 -0.000297837 -0.00164254 -0.0029353 7
1916 104 C 17.6962 3.17137 45.5226 -0.000122814 0.00185897 -0.00124505 7
1917 105 C 18.465 2.99645 46.8299 -0.000430603 0.00106078 0.00123029 7
1918 106 C 25.3713 6.77954 33.7226 0.00104062 -0.00112924 -0.00338704 7
1919 107 C 25.514 6.85139 35.2704 -0.00071678 -0.000610543 0.00188508 7
1920 108 C 26.3799 8.07948 35.6334 5.54516e-05 -3.40755e-05 0.00350029 7
1921 109 C 26.1053 8.66762 37.0242 -0.0044377 -0.00326819 -0.00167327 7
1922 110 C 26.0135 7.72219 38.2238 0.00117259 0.00099168 -0.000738105 7
1923 111 C 25.9511 8.4789 39.5744 0.000976764 0.000965985 -0.00141524 7
1924 112 C 25.7902 7.59466 40.8358 0.000370574 0.00194891 -0.00125235 7
1925 113 C 25.8008 8.4428 42.1445 0.00286156 0.00277921 0.00326753 7
1926 114 C 25.4739 7.5717 43.3788 -0.000296161 0.000652354 0.000998278 7
1927 115 C 25.4047 8.37585 44.6753 -0.000793738 0.000164659 0.00133744 7
1928 116 C 25.2342 7.4938 45.936 -0.00127613 -0.00165977 8.18473e-05 7
1929 117 C 25.2605 8.32666 47.2276 0.00127691 0.00287725 0.00267745 7
1930 118 C 25.6671 -0.166755 33.6334 -0.00149755 -0.000475137 -0.00212612 7
1931 119 C 25.4366 -0.453848 35.1286 -0.00202987 -0.000632558 0.00336213 7
1932 120 C 26.2482 -1.68922 35.6935 -0.0048986 -0.00300606 -0.0003333 7
1933 121 C 26.0691 -2.02316 37.179 0.0038351 -0.00122526 0.000917236 7
1934 122 C 26.1356 -0.793597 38.127 -0.00245714 0.000213804 -0.000496018 7
1935 123 C 26.0758 -1.23562 39.6108 0.000419688 0.000334863 -0.00352466 7
1936 124 C 25.7457 -0.136311 40.6198 0.00184174 0.00243742 -0.000133544 7
1937 125 C 25.3011 -0.65202 41.9962 -0.00650422 0.000997183 -0.00154786 7
1938 126 C 26.4416 -1.1799 42.8805 -0.00119798 -0.00205109 -0.00224581 7
1939 127 C 25.9241 -1.62292 44.2404 -0.00100351 -0.0014633 0.00206093 7
1940 128 C 25.5912 -0.473415 45.1677 0.00122046 -0.000404126 0.000853485 7
1941 129 C 25.2373 -0.943374 46.5912 0.00209985 -0.000688735 0.0036346 7
1942 130 F 25.6151 0.921325 25.1301 0.00176348 0.00301042 0.00142207 7
1943 131 H 25.7591 7.45354 31.4632 -0.00795092 0.00443767 0.00440204 7
1944 132 H 25.886 7.44372 29.0321 -0.00176373 0.00280869 0.0112598 7
1945 133 H 25.0636 5.46893 27.7673 -0.00590818 -0.0178535 -0.00167827 7
1946 134 H 18.7592 2.94172 30.9776 4.07405e-05 -0.00215531 -0.0140643 7
1947 135 H 18.9817 3.14117 28.5446 0.00187494 0.00178676 0.00718458 7
1948 136 H 21.1501 3.29186 27.4387 0.00321077 -0.00208416 -0.000792362 7
1949 137 H 26.054 -0.877349 31.3374 0.00304422 0.000891514 -0.00216479 7
1950 138 H 26.1186 -0.778684 28.9368 -0.00618897 -0.00772917 0.00219001 7
1951 139 H 25.0305 0.994979 27.6951 7.60348e-05 -0.0264276 0.00479683 7
1952 140 H 26.9259 5.71781 23.3401 -0.00120332 0.00181707 -0.00160731 7
1953 141 H 25.2961 5.48292 25.1964 0.00402821 -0.000279068 0.0106566 7
1954 142 H 26.9893 -0.668378 19.0991 0.00839538 -0.00502801 -0.00563887 7
1955 143 H 27.25 -0.64226 16.6158 0.00021887 -0.0057925 0.00741651 7
1956 144 H 27.4852 1.26623 20.4364 0.00435005 0.00422034 -0.00101634 7
1957 145 H 33.4424 3.44345 19.5565 0.00362524 -0.000879371 -0.00150175 7
1958 146 H 33.5819 3.6828 17.2042 -0.00169308 -0.0120089 0.00209048 7
1959 147 H 31.2127 3.61914 20.7445 0.0036162 -0.00984646 0.00268232 7
1960 148 H 26.0184 7.68185 19.1563 -0.0155614 -0.0081159 -0.00520199 7
1961 149 H 26.168 7.71871 16.6961 0.0101171 -0.00404994 -0.0137897 7
1962 150 H 29.0379 3.91108 15.6663 0.00492688 0.00244705 -0.000596309 7
1963 151 H 27.1908 5.96871 20.4786 -0.0109944 -0.00863837 0.00315916 7
1964 152 H 23.3926 3.14224 32.6018 0.00170351 0.00336014 -0.00496992 7
1965 153 H 32.7282 2.59965 14.775 -0.000269821 0.000953346 0.00999171 7
1966 154 H 30.9836 2.37186 14.6492 -0.0023735 -0.00701287 -0.0186355 7
1967 155 H 32.4959 3.34587 12.5294 0.0177756 0.00461141 0.0139048 7
1968 156 H 32.0343 4.85739 13.2724 -0.0136955 0.00373882 0.0127482 7
1969 157 H 30.1701 4.7676 12.1048 -0.00604058 0.00844283 0.0173067 7
1970 158 H 29.5852 3.49151 13.1273 0.00885018 -0.0165407 0.00969072 7
1971 159 H 29.3476 2.45501 11.0913 -0.010687 0.00804969 0.0206878 7
1972 160 H 31.0462 1.95851 11.3697 0.001088 0.00424771 -0.0092704 7
1973 161 H 31.8938 3.57182 9.84364 0.00273842 -0.0123184 -0.00155993 7
1974 162 H 30.4638 4.53419 9.76231 -0.020335 -0.00413065 -0.000798021 7
1975 163 H 29.4506 2.16586 8.71756 -0.00309777 0.00640272 0.00610064 7
1976 164 H 31.1514 1.7718 8.58684 -0.0181315 -0.0140456 -0.00938789 7
1977 165 H 31.5272 3.89937 7.29035 0.00633276 -0.00616752 0.00205461 7
1978 166 H 29.7533 4.14699 7.29379 0.00645874 0.000469691 -0.00729332 7
1979 167 H 29.5659 1.87794 6.13478 -0.00745482 0.0146068 -0.00627682 7
1980 168 H 31.3023 1.95885 5.90759 0.015332 0.0196529 -0.00992377 7
1981 169 H 31.0945 4.15211 4.72958 -0.00365257 0.00584309 -0.00296755 7
1982 170 H 29.3154 4.04686 4.93398 -0.00674252 -0.0144313 -0.00376141 7
1983 171 H 29.4737 1.84105 3.53681 -0.00229691 0.00121993 -0.000102865 7
1984 172 H 31.2087 2.00405 3.48249 0.00814531 0.0093971 -0.0126716 7
1985 173 H 30.9231 4.14244 2.14512 -0.000225583 0.00218636 0.0155545 7
1986 174 H 29.1771 3.83481 2.10645 0.00554503 0.0108675 0.00799486 7
1987 175 H 29.5745 1.74844 0.849622 -0.0026003 -0.00197925 0.00698376 7
1988 176 H 31.3606 1.91385 1.12403 -0.000505515 -0.000491047 -0.00354633 7
1989 177 H 30.4829 3.07992 0.0730241 0.0128711 -0.00763288 -0.00445073 7
1990 178 H 29.3085 -0.402128 15.1581 0.0113477 0.00839101 0.00230437 7
1991 179 H 27.711 -0.561019 14.408 -0.00455367 0.0110385 0.00212582 7
1992 180 H 28.5735 1.13705 12.6038 0.0120249 0.0171862 0.00415863 7
1993 181 H 30.1313 0.960673 13.2881 -0.00617028 0.00718123 -0.00288184 7
1994 182 H 30.3292 -1.27758 12.8776 0.00354144 0.00475616 0.00223473 7
1995 183 H 28.6238 -1.51658 12.5027 0.00189585 0.00439698 0.0178721 7
1996 184 H 28.7586 -0.580661 10.3692 -0.00417555 -0.0105586 0.000477913 7
1997 185 H 30.3813 0.154319 10.6487 0.000965729 0.00326585 0.00267677 7
1998 186 H 31.217 -2.33639 10.9355 -0.0073188 0.00041231 0.00395904 7
1999 187 H 29.7044 -2.76125 10.0999 0.00537942 -0.00772276 0.00613273 7
2000 188 H 31.5927 -0.646635 9.10622 0.00432261 -0.00473362 0.00154296 7
2001 189 H 31.8257 -2.37041 8.67526 -0.00360721 -0.00143121 0.00322806 7
2002 190 H 29.5244 -2.20993 7.52353 0.00408924 -0.0051363 0.00724123 7
2003 191 H 29.4895 -0.474156 7.93759 0.00736308 0.00917446 -0.00641013 7
2004 192 H 31.4334 0.0523474 6.78109 -0.00890009 0.0055723 -0.0018914 7
2005 193 H 31.8466 -1.57667 6.31771 -0.00118071 -0.00698336 0.0102556 7
2006 194 H 29.2901 -0.182738 5.38378 -0.00037158 -0.00414423 0.0254491 7
2007 195 H 30.8169 -0.156005 4.49178 0.00242425 -0.015012 -0.0117299 7
2008 196 H 30.7825 -2.72217 4.55408 -0.00459324 -0.00218958 0.0145681 7
2009 197 H 29.1831 -2.68093 5.29928 -0.009428 0.0164451 0.00707324 7
2010 198 H 28.6347 -2.9218 3.0786 0.00548935 -0.000200944 -0.00646367 7
2011 199 H 28.2401 -1.30875 3.47893 -0.00715345 -0.00507039 -0.00438564 7
2012 200 H 30.6886 -2.19053 1.72465 -0.00205447 -0.0021603 0.00398834 7
2013 201 H 29.2865 -1.2168 1.28936 0.0160678 -0.01248 -0.0155808 7
2014 202 H 30.4693 -0.499258 2.39855 0.0148587 -0.00939006 0.00994786 7
2015 203 H 27.1287 4.14725 14.5475 0.0166912 0.00241224 -0.003695 7
2016 204 H 25.8694 5.45736 14.4672 0.000216183 0.00642345 -0.0154627 7
2017 205 H 26.8555 6.32169 12.4467 -0.00733902 -0.00572663 -0.00553061 7
2018 206 H 28.3906 5.58213 12.8496 0.0014667 0.00142953 0.00288603 7
2019 207 H 27.4751 3.35085 12.2976 -0.0079559 -0.00551651 -0.0125448 7
2020 208 H 25.9205 4.00582 11.8045 0.00143973 0.000488391 0.00040455 7
2021 209 H 28.411 5.11318 10.5315 0.00182863 0.000965686 0.0231664 7
2022 210 H 27.6508 3.62309 9.96889 0.00770476 3.61616e-05 0.00228055 7
2023 211 H 25.4251 5.16674 9.81974 -0.00191157 -0.000520377 0.00879905 7
2024 212 H 26.5221 6.4875 10.1209 0.00206626 -0.00103804 0.000824898 7
2025 213 H 27.6956 6.19183 8.08083 -0.00539466 0.00956763 0.00326598 7
2026 214 H 27.1811 4.57521 7.84992 0.00021833 -0.00048611 -0.00125106 7
2027 215 H 24.8996 5.2595 7.2633 0.00936848 -0.00998252 -0.0109011 7
2028 216 H 25.2906 6.96465 7.73257 0.00260603 0.00572843 -0.00356125 7
2029 217 H 25.2611 6.74744 5.36409 -0.00262214 0.00056416 0.00698193 7
2030 218 H 26.9545 6.97504 5.81687 -0.00111093 0.00339068 0.00654711 7
2031 219 H 27.3374 4.47241 5.66536 -0.00140022 0.0023376 -0.00170576 7
2032 220 H 25.7536 4.26178 5.06826 0.0110293 -0.0086409 0.00517989 7
2033 221 H 27.9598 5.87189 3.58475 0.00671757 -0.00484052 -0.00110221 7
2034 222 H 27.2527 4.28034 3.22846 -0.00569608 -0.000472156 0.00296801 7
2035 223 H 25.0099 5.51384 2.93723 0.002786 -0.00630514 0.0127185 7
2036 224 H 25.8824 7.0138 3.17982 0.00902021 -0.00276996 -0.0036231 7
2037 225 H 26.5928 4.93434 0.960825 -0.00703265 -0.00668985 0.00810462 7
2038 226 H 25.4411 6.2529 0.716224 -0.00317184 0.0118568 0.00720247 7
2039 227 H 27.0888 6.65823 1.0798 -0.010626 0.00521425 -0.0172421 7
2040 228 H 18.8789 3.99208 33.1619 0.00184673 -0.0016198 0.0225789 7
2041 229 H 18.9341 2.22698 32.99 -0.00293142 -0.0049551 0.00930137 7
2042 230 H 19.9828 2.05263 35.165 -0.00197308 -0.00273645 0.00423342 7
2043 231 H 20.5064 3.66311 35.1625 -0.00650244 0.00346132 0.0192502 7
2044 232 H 18.3301 4.58214 35.3518 -0.01023 -0.00609398 -0.0197858 7
2045 233 H 17.5095 3.06717 35.2635 0.0105173 -0.016674 -0.000953576 7
2046 234 H 18.6943 2.33846 37.334 0.00525287 -0.00120205 -0.00197909 7
2047 235 H 19.5341 3.85053 37.4805 0.00367745 -0.00976712 0.00452991 7
2048 236 H 17.154 4.91385 37.6763 0.00116196 -0.00720824 -0.00984061 7
2049 237 H 16.5306 3.26269 37.7948 -0.000569567 -0.00422133 0.0112571 7
2050 238 H 18.4664 4.72607 39.7688 0.00280729 -0.000713447 -0.00523994 7
2051 239 H 16.7722 4.43884 40.0737 -0.00242923 0.0025351 0.000164959 7
2052 240 H 17.093 2.07426 40.306 -0.00367279 0.00168111 -0.00352649 7
2053 241 H 18.7121 2.15084 39.5976 -0.00268689 0.0115778 -0.0108975 7
2054 242 H 18.8689 1.63273 42.0221 0.00137624 -0.00209011 -0.00755579 7
2055 243 H 19.6151 3.18287 41.7627 -0.00192367 0.00254238 0.00224101 7
2056 244 H 17.4838 4.30843 42.7386 -0.0169371 -0.00808308 0.00819786 7
2057 245 H 16.8158 2.70005 42.854 0.000566589 -0.00785676 -0.00523453 7
2058 246 H 18.8907 1.96352 44.277 -0.00446696 -0.00269049 0.00919388 7
2059 247 H 19.3877 3.68761 44.2938 0.00869328 -0.0125253 -0.00714063 7
2060 248 H 17.2374 4.16777 45.5279 -0.0144864 -0.00474582 -0.0027347 7
2061 249 H 16.8792 2.44352 45.4441 0.00606325 -0.00452135 -0.00653944 7
2062 250 H 17.8679 3.16539 47.7345 0.00132028 -0.00381945 0.00330804 7
2063 251 H 18.8854 1.99143 46.9589 -0.00350972 -0.00111467 -0.00582978 7
2064 252 H 19.315 3.68133 46.9389 0.00453108 -0.0056166 0.00463804 7
2065 253 H 26.4019 6.68846 33.3579 0.00398991 -0.00884039 0.00682555 7
2066 254 H 24.9501 7.73319 33.3813 -0.00119226 0.00302891 0.0109934 7
2067 255 H 24.5252 6.97664 35.7287 -0.00230063 -0.00415813 -0.000565638 7
2068 256 H 26.0097 5.96891 35.6934 -0.00281081 -0.000425378 0.00472337 7
2069 257 H 27.4524 7.85226 35.5947 0.000991285 0.00485914 0.000610082 7
2070 258 H 26.2394 8.84858 34.8639 0.00496865 -0.00486438 -0.00223637 7
2071 259 H 26.8989 9.4104 37.1723 0.000735846 -0.00673771 -0.0119612 7
2072 260 H 25.1869 9.26709 36.9982 -0.00268341 -0.00133781 -0.0187457 7
2073 261 H 25.1819 7.01881 38.093 0.00103462 -0.000738208 0.00948702 7
2074 262 H 26.9246 7.11181 38.2519 -0.00477028 -0.00823189 -0.00868507 7
2075 263 H 26.8288 9.10746 39.7692 -0.00902633 0.0115305 0.00979615 7
2076 264 H 25.1299 9.20358 39.5112 0.00826206 0.00844024 -0.0106429 7
2077 265 H 24.8369 7.05245 40.8612 0.000466555 0.00127798 -0.0132815 7
2078 266 H 26.5879 6.84233 40.87 -0.00476705 -0.00415674 -0.0157324 7
2079 267 H 26.7887 8.88908 42.3128 0.00833414 -0.0100836 0.00539259 7
2080 268 H 25.0149 9.2054 42.0804 0.00600836 0.00543342 -0.0036646 7
2081 269 H 24.4966 7.09278 43.2415 0.000613177 -0.00135677 0.00153151 7
2082 270 H 26.206 6.75836 43.4558 -0.00234973 -0.00249083 -0.0125086 7
2083 271 H 26.2993 8.9999 44.7921 -0.00346445 0.00358947 0.00350668 7
2084 272 H 24.5411 9.04715 44.5916 -0.0114359 -0.0116944 0.0159968 7
2085 273 H 24.2666 6.97716 45.9229 -0.00127911 -0.00147796 -0.00622758 7
2086 274 H 26.0685 6.78217 45.9664 0.0168447 0.0197503 0.00496844 7
2087 275 H 25.2161 7.64655 48.0872 -0.0101895 -0.00746504 -0.00611644 7
2088 276 H 26.2431 8.8008 47.3419 0.0032638 -0.00382534 0.0136361 7
2089 277 H 24.4062 9.01008 47.3083 0.000557419 0.00307386 -0.00667111 7
2090 278 H 25.4705 -1.13732 33.1614 -0.010414 0.00357578 -0.00673963 7
2091 279 H 26.7015 0.109097 33.3942 -0.0066719 0.0131351 -0.00881739 7
2092 280 H 24.3523 -0.527756 35.2775 -0.00543551 0.00488837 -0.0185465 7
2093 281 H 25.654 0.4495 35.7118 0.00710871 -0.00577632 0.00789946 7
2094 282 H 27.3237 -1.60647 35.4934 -0.00394978 0.006536 0.00881634 7
2095 283 H 26.0331 -2.56563 35.0698 0.00631864 0.00337366 -0.0132362 7
2096 284 H 26.8702 -2.71785 37.4602 0.0104566 0.0023327 -0.00911194 7
2097 285 H 25.075 -2.43681 37.3889 0.00357414 -0.00526099 -0.00840107 7
2098 286 H 25.3352 -0.0865576 37.8762 0.00376589 -0.000211886 -0.0216569 7
2099 287 H 27.1022 -0.289454 38.0045 -0.00607282 0.00341896 -0.0156629 7
2100 288 H 27.0458 -1.64693 39.9162 -0.00230543 -0.012492 -0.0121649 7
2101 289 H 25.3775 -2.07343 39.7285 -0.00133022 0.00155761 -0.00523028 7
2102 290 H 24.9558 0.483288 40.1776 -0.00277888 0.00581748 0.0128913 7
2103 291 H 26.5787 0.562654 40.7646 -0.00374071 0.00889519 0.000917514 7
2104 292 H 24.5685 -1.4604 41.8813 -0.000757867 -0.00271987 -0.012029 7
2105 293 H 24.822 0.200459 42.4933 0.00327264 0.0100346 -0.00759354 7
2106 294 H 27.2075 -0.405055 43.0085 -0.0011916 -0.000876886 -0.00937529 7
2107 295 H 26.9204 -2.01907 42.3609 0.00342745 0.00538887 -0.0100198 7
2108 296 H 26.7162 -2.22146 44.7071 0.00409003 0.0025089 -0.00147659 7
2109 297 H 25.0405 -2.25857 44.1039 -0.0041641 0.0034438 -0.000349851 7
2110 298 H 24.7472 0.0751092 44.7315 0.00676067 0.0140265 0.00830677 7
2111 299 H 26.445 0.215331 45.1642 -0.0026932 0.00448752 0.0144464 7
2112 300 H 24.9288 -0.117386 47.2439 -0.014961 0.00395957 -0.0103752 7
2113 301 H 26.1368 -1.33372 47.0829 0.00956653 0.0113713 -0.000413438 7
2114 302 H 24.4324 -1.68866 46.6044 -0.00220013 0.00376062 -0.00739135 7
2115 1 C 29.1506 13.5172 30.7739 -0.00343531 0.00243482 0.00144874 8
2116 2 C 29.3382 13.4519 29.3819 0.00138386 -0.00302269 0.00544788 8
2117 3 C 28.856 12.3072 28.7308 0.000245763 0.00144637 0.00226514 8
2118 4 C 28.2701 11.2294 29.4214 -0.00116109 -0.000593039 0.00519872 8
2119 5 C 28.1016 11.31 30.8113 -0.00563321 0.00180851 -0.00117909 8
2120 6 C 28.5144 12.4895 31.5004 0.00144072 0.00165421 -0.00154241 8
2121 7 C 23.6267 9.9962 30.2755 -0.00124061 4.68605e-05 0.000206592 8
2122 8 C 23.7811 9.97197 28.8686 -0.00277067 0.00079508 -0.00199207 8
2123 9 C 25.0662 9.98618 28.2799 -0.00230034 0.00134132 -0.0011877 8
2124 10 C 26.1689 10.0166 29.1629 0.00231303 -0.00464622 -0.00150505 8
2125 11 C 26.0429 10.005 30.5643 -0.00168783 -0.00194157 -0.00305193 8
2126 12 C 24.7825 9.96467 31.1114 -0.00654246 0.000290875 -0.00221839 8
2127 13 C 29.1588 6.65922 31.0488 0.000452967 -0.00068589 -0.00219414 8
2128 14 C 29.3284 6.63076 29.6573 -0.000795569 -0.00463619 -0.000521885 8
2129 15 C 28.8569 7.64657 28.8543 0.00161462 -0.00401698 -0.00248457 8
2130 16 C 28.2435 8.75452 29.4683 -0.00186566 0.00167238 0.000699218 8
2131 17 C 27.6619 9.97162 28.7525 0.00388729 0.000731732 0.000947137 8
2132 18 O 28.5292 7.83967 33.0402 0.00459142 0.000642117 -0.00022694 8
2133 19 O 24.6862 9.99844 32.4952 -0.00228346 -0.00182094 0.000599894 8
2134 20 O 28.4413 12.5628 32.8557 -0.000814101 0.00252168 0.000139361 8
2135 21 C 28.5728 7.77468 31.6808 -0.00129639 -0.00382487 -0.0013613 8
2136 22 C 27.9036 9.96495 27.3039 0.000963659 -0.000845692 -0.00428599 8
2137 23 C 28.4009 9.98829 26.1987 -0.00664019 -0.00441017 0.00189194 8
2138 24 C 29.1445 10.0342 25.0115 -0.00413718 0.00290364 0.00705547 8
2139 25 C 29.3632 11.2651 24.357 0.000137338 4.16201e-05 -0.00206686 8
2140 26 C 30.2595 11.3199 23.2703 0.00267441 0.00187034 -0.00229105 8
2141 27 C 30.9149 10.168 22.8259 0.00131377 -0.00149926 -0.00228014 8
2142 28 C 30.7415 8.94244 23.5 0.00113625 -0.00187299 -0.000613051 8
2143 29 C 29.8362 8.86872 24.5963 0.000750284 -0.00138194 -0.000930414 8
2144 30 C 31.6501 10.1875 21.6256 0.00122617 -0.000277414 0.00141 8
2145 31 C 32.1685 10.2011 20.5383 -0.00094317 -0.000785633 -0.00231414 8
2146 32 C 30.5227 7.23485 17.7868 -0.00214239 0.0026768 -0.00398514 8
2147 33 C 30.8397 7.33888 16.4395 -0.00296025 -0.000348613 0.00386351 8
2148 34 C 31.6696 8.34865 15.9723 0.00355236 -0.000727397 -0.00258307 8
2149 35 C 32.1472 9.31438 16.8753 -0.0010969 -0.00396411 0.00345672 8
2150 36 C 31.7926 9.20525 18.248 0.0024747 0.00442518 0.00176461 8
2151 37 C 31.0812 8.10849 18.7178 0.00274814 -0.00757376 0.00330295 8
2152 38 C 32.4772 10.2951 19.1108 0.000680558 0.00143463 -0.000449032 8
2153 39 C 36.358 10.2358 19.2141 -0.00440714 -0.000419309 -0.00118515 8
2154 40 C 36.6228 10.4018 17.8401 0.000410399 0.000165715 -0.00759756 8
2155 41 C 35.5601 10.4022 16.9185 -0.000105167 -0.000131384 0.000339499 8
2156 42 C 34.2404 10.3491 17.3953 -2.92605e-05 -9.91791e-05 0.00270702 8
2157 43 C 33.9558 10.2499 18.7804 -0.00339505 -0.00149822 -0.000361783 8
2158 44 C 35.0303 10.1435 19.7067 0.00374681 -0.00517263 0.000111049 8
2159 45 C 31.1212 13.882 18.5444 0.00283354 0.00613203 0.00117145 8
2160 46 C 31.351 13.9945 17.1404 -0.00353424 0.000212648 -0.00348929 8
2161 47 C 31.8882 12.9177 16.4012 -7.13631e-05 -0.00012578 0.00386029 8
2162 48 C 32.2376 11.7235 17.0744 -0.000455373 0.000914293 0.00207492 8
2163 49 C 32.9935 10.5179 16.5035 0.000157735 0.00119816 0.00058719 8
2164 50 C 32.0644 11.6574 18.5006 0.00100735 -0.000645842 -0.00327746 8
2165 51 C 31.4532 12.7376 19.2126 0.000834537 0.00116192 0.000865032 8
2166 52 O 35.8015 10.5061 15.5681 0.00226163 -0.000600737 -0.00252874 8
2167 53 O 31.9978 8.44835 14.6349 -0.000789799 0.00579083 -0.00183998 8
2168 54 O 32.0064 13.0774 15.0392 0.00191977 0.000379975 0.000309141 8
2169 55 C 27.3688 10.0601 31.3845 0.00018895 0.00553291 0.000422427 8
2170 56 C 28.1004 8.82591 30.8767 -0.00163984 -0.000377264 -0.000983726 8
2171 57 C 36.5834 9.53717 14.8913 -0.00028306 -0.00539582 0.00364559 8
2172 58 C 35.7025 8.76785 13.835 -0.000297649 -0.00163469 0.00458835 8
2173 59 C 35.714 9.48637 12.4717 0.00300859 0.000540677 0.00135991 8
2174 60 C 34.3721 9.2477 11.7063 0.00158943 -0.000622063 0.00705597 8
2175 61 C 34.1767 9.98827 10.3816 0.00365696 0.0056541 -0.00173442 8
2176 62 C 34.7165 9.14318 9.18952 -0.00111092 0.00292052 0.000724531 8
2177 63 C 34.5539 9.91865 7.8549 -0.00198516 -0.00045023 0.00398359 8
2178 64 C 34.7012 9.01676 6.62014 -0.000720535 0.00126815 0.000677711 8
2179 65 C 34.5488 9.79628 5.30978 -0.00091928 0.00268172 -0.000145668 8
2180 66 C 34.4364 8.85628 4.08926 0.00434068 0.00521361 0.00382003 8
2181 67 C 34.4558 9.63651 2.74502 0.000944435 -0.00105075 0.00118633 8
2182 68 C 33.2795 10.6597 2.62483 -0.000926213 0.000654483 0.0037679 8
2183 69 F 30.4751 12.5095 22.6679 0.0011729 0.00148805 0.000723948 8
2184 70 C 31.0182 8.96773 13.6994 -0.00196038 5.16266e-05 -0.00174071 8
2185 71 C 30.2051 7.81261 13.0739 -0.00236202 0.0032627 0.000573366 8
2186 72 C 29.8737 8.10476 11.5802 -0.00514354 -0.00270529 0.00303856 8
2187 73 C 30.9292 7.65409 10.5823 0.00192002 0.00176452 -0.00245033 8
2188 74 C 30.3756 7.85529 9.13641 -0.00214575 0.00119202 -0.00187435 8
2189 75 C 31.2904 7.16168 8.10244 -0.00467981 4.47431e-05 0.00176309 8
2190 76 C 31.1221 7.67208 6.66973 -0.0049983 0.000172184 0.00547839 8
2191 77 C 29.6879 7.51721 6.1324 -0.00197137 -0.0010257 0.00049521 8
2192 78 C 29.5039 8.20038 4.75707 0.00532443 -0.00268225 0.00352151 8
2193 79 C 30.449 7.59474 3.7118 0.00123485 0.00233971 -0.00137693 8
2194 80 C 30.0642 7.97714 2.27338 0.00192965 -0.00157607 -0.00172315 8
2195 81 C 31.1117 7.43696 1.26786 0.000203031 -0.00416095 0.00142416 8
2196 82 C 33.2589 13.0936 14.3604 0.0019198 -0.00156424 0.00102929 8
2197 83 C 33.0478 12.2277 13.0646 0.000781222 -0.00445493 0.000373143 8
2198 84 C 32.8405 13.0093 11.759 -3.14871e-05 -0.00533432 0.00532671 8
2199 85 C 33.9328 14.0525 11.3138 0.000670318 0.00072559 -0.00202242 8
2200 86 C 33.6477 14.6584 9.91841 -0.00302692 -0.000322665 -0.00183977 8
2201 87 C 34.264 13.7168 8.84269 -0.000245236 -0.000331378 0.000842966 8
2202 88 C 34.0749 14.3781 7.47715 -0.00813752 0.00257804 0.00122811 8
2203 89 C 34.9077 13.6576 6.39082 0.00493128 -0.00149594 0.00123153 8
2204 90 C 34.562 14.1986 4.98454 0.00209907 0.00214614 -0.0007238 8
2205 91 C 35.3746 13.6085 3.82269 -0.00413317 0.00252784 -0.0030856 8
2206 92 C 34.8264 14.0624 2.46882 8.77383e-05 -0.00113976 0.0018934 8
2207 93 C 35.6508 13.5205 1.35091 0.00155739 0.000858608 0.003696 8
2208 94 C 23.371 10.0017 33.0832 0.00287289 0.00623866 0.000893087 8
2209 95 C 23.4053 9.72754 34.6055 0.00202098 0.0035966 -0.00150717 8
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2211 97 C 21.6381 9.83086 36.6039 -0.00285789 -0.00439982 -0.000551654 8
2212 98 C 22.4987 9.95722 37.8861 0.000834132 -0.00298202 -0.000569831 8
2213 99 C 21.5685 9.77151 39.1164 0.00181106 0.00173678 0.0062796 8
2214 100 C 22.3347 9.55235 40.4407 0.000657303 -0.000216989 0.00362904 8
2215 101 C 21.3366 9.57545 41.6153 0.00122046 0.000256572 0.000569012 8
2216 102 C 22.0228 9.5356 43.0177 0.00071402 -6.35379e-05 -0.00158458 8
2217 103 C 20.9187 9.47988 44.0782 -0.000369738 0.000688096 -0.000483125 8
2218 104 C 21.4332 9.49694 45.5595 -0.00384676 -0.00291356 0.00237641 8
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2224 110 C 29.2873 14.9717 38.6576 -0.000782031 -0.000459826 0.00371907 8
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2230 116 C 28.5377 15.2483 46.2774 0.0010531 -0.00156557 -0.00287834 8
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2233 119 C 29.1523 5.88452 34.4226 0.00230421 -0.000421617 0.0020678 8
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2235 121 C 29.2562 6.2167 36.9691 0.00217081 -0.00016788 7.61504e-05 8
2236 122 C 30.0216 5.93611 38.2999 -1.32292e-05 0.000913893 0.00277513 8
2237 123 C 29.1703 6.08481 39.555 0.00183465 0.00220174 0.000253412 8
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2239 125 C 29.1264 6.05776 42.1036 0.00397867 0.00225108 0.0014421 8
2240 126 C 29.9579 5.85835 43.4194 0.00124128 0.00150373 -0.00121599 8
2241 127 C 29.0693 5.91075 44.6955 0.00144444 0.000513401 0.00405541 8
2242 128 C 29.8063 5.53818 46.0012 -2.78107e-06 -0.000644885 -0.000810641 8
2243 129 C 28.9317 5.83046 47.2628 -0.00220039 0.0012635 0.00555712 8
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2302 188 H 32.3154 7.37456 8.43003 -0.000911533 -0.0175443 0.00132032 8
2303 189 H 31.0921 6.08405 8.15543 -0.0030657 -0.000533312 -0.00406067 8
2304 190 H 31.4181 8.72774 6.63317 0.00618291 -0.00277723 0.0110391 8
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2306 192 H 29.4273 6.46101 5.9913 -0.00336101 -5.29897e-05 -0.00428061 8
2307 193 H 28.9215 7.92088 6.80544 -0.00323898 0.0057223 -0.00498802 8
2308 194 H 28.4555 8.10743 4.44791 0.000288099 0.00730928 0.0175152 8
2309 195 H 29.6389 9.28655 4.83073 0.00207303 -0.00305858 0.0150531 8
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2312 198 H 29.0423 7.63494 2.06815 -0.0026911 0.00927653 0.00311127 8
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2314 200 H 31.1357 6.34223 1.20158 0.00600969 -0.00389966 -0.00093836 8
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2319 205 H 33.9431 11.6003 12.9749 0.00784289 0.00506254 0.00412892 8
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2321 207 H 32.7041 12.2932 10.9393 -0.00944021 -0.00804265 0.00926709 8
2322 208 H 31.911 13.5881 11.8255 -0.00381106 -0.0089223 -0.0159886 8
2323 209 H 33.9713 14.8849 12.0273 -0.00936393 -0.00237434 0.00212556 8
2324 210 H 34.9521 13.649 11.2723 0.00167418 0.00387333 -0.0082159 8
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2326 212 H 34.1735 15.6178 9.83831 0.00170858 -0.00295389 -0.00237202 8
2327 213 H 35.3157 13.5121 9.07813 0.00285303 0.000848282 -0.0120481 8
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2329 215 H 33.0022 14.3973 7.24842 -0.00778313 0.00537723 -0.000192158 8
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2331 217 H 35.9539 13.8291 6.67258 0.00356711 -0.00852469 0.010619 8
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2333 219 H 33.4962 14.0229 4.79292 0.00152116 0.00955974 -0.00434888 8
2334 220 H 34.7261 15.2825 5.02336 -0.00475055 0.00358642 -0.0123861 8
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2337 223 H 33.8026 13.737 2.2468 0.00143108 -0.0116499 0.0112551 8
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2339 225 H 36.7232 13.7143 1.47613 0.00111877 0.00209605 0.00548907 8
2340 226 H 35.5773 12.4261 1.3669 -0.0092642 0.00157552 0.00191185 8
2341 227 H 35.3961 13.933 0.366853 0.0092333 -0.0027543 0.000173322 8
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2344 230 H 23.3263 8.64162 34.7394 0.0096911 0.00361409 0.00315605 8
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2346 232 H 22.506 11.4673 35.518 0.000333232 0.00247676 0.00110664 8
2347 233 H 21.3928 10.5385 34.5939 0.00406219 0.00940979 -0.00293743 8
2348 234 H 20.6648 10.3152 36.7508 -0.00262048 -0.00511051 0.00334404 8
2349 235 H 21.4027 8.77474 36.4233 -0.0137474 -0.00287043 0.00470384 8
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2351 237 H 22.9733 10.9462 37.8776 -0.00822584 0.00140597 0.00545022 8
2352 238 H 20.8873 10.6268 39.2053 -0.0132219 -0.00990103 0.00311768 8
2353 239 H 20.9462 8.87953 38.9729 -0.00526757 0.00935495 -0.0102681 8
2354 240 H 22.8538 8.58626 40.4655 -0.0112743 -0.00682944 -0.0041411 8
2355 241 H 23.0873 10.3381 40.5811 -0.000618396 0.00283719 -0.00665778 8
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2357 243 H 20.6205 8.75724 41.47 -0.0131359 0.0151061 -0.0124012 8
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2359 245 H 22.5757 10.4794 43.1019 0.00285327 -0.00236692 0.00991007 8
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2362 248 H 20.6101 9.2981 46.257 0.00460679 -0.0150138 0.00887496 8
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2364 250 H 21.231 11.6063 45.8747 0.0114725 0.00293387 0.00389572 8
2365 251 H 22.309 10.8124 47.0055 -0.00197201 0.00482792 0.00736168 8
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2368 254 H 27.7303 14.4521 33.4999 -0.0044832 -0.00218307 0.00814475 8
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2370 256 H 29.8223 12.8887 35.0104 -0.00480824 -0.00147408 0.00441831 8
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2373 259 H 29.6381 13.1505 37.6536 -0.0020808 -0.00184437 0.00559173 8
2374 260 H 30.8858 14.3806 37.2985 -0.000743601 -0.00606273 0.0049614 8
2375 261 H 29.3974 16.0543 38.5189 -0.00366508 -8.91642e-05 0.00431166 8
2376 262 H 28.215 14.7612 38.7534 0.0014331 -0.00640964 0.0157459 8
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2378 264 H 30.8573 14.8761 40.1304 0.00258428 0.00903837 0.00129272 8
2379 265 H 29.0478 16.0786 41.1695 -0.00407344 -0.00123378 0.00920184 8
2380 266 H 28.0674 14.4724 41.2468 -0.00616074 0.00563102 0.000579027 8
2381 267 H 29.8339 13.4933 42.5387 -0.0175536 -0.00270477 0.000732236 8
2382 268 H 30.6872 14.9971 42.6851 -0.00293023 0.00290787 0.0138961 8
2383 269 H 28.7238 16.0868 43.6831 -0.00239411 -0.0030685 0.00333584 8
2384 270 H 27.8314 14.5855 43.6824 0.000399242 -0.00146185 -0.00935367 8
2385 271 H 29.4966 13.6087 45.245 -0.0102488 0.00158216 -0.00501523 8
2386 272 H 30.4646 15.1196 45.24 0.00214535 -0.00330852 0.00321805 8
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2388 274 H 27.5063 14.9119 46.1148 -0.00161768 0.00116644 0.00843021 8
2389 275 H 28.9767 13.621 47.5906 -0.0100362 -0.00217339 0.0116537 8
2390 276 H 30.0143 15.0454 47.8541 -0.00531656 0.000347874 0.0075779 8
2391 277 H 28.2936 14.9942 48.4284 0.00153202 -0.00909827 -0.00175621 8
2392 278 H 30.4418 7.18965 33.1789 -0.00220978 0.00976792 -0.00516806 8
2393 279 H 29.8123 7.93878 34.6512 0.00190734 -0.00409897 0.00178188 8
2394 280 H 29.4097 5.13756 33.6615 -0.00954678 -0.0015375 -0.00084888 8
2395 281 H 28.0629 5.91045 34.5488 0.00337049 0.0108366 0.00903328 8
2396 282 H 30.9069 5.74197 35.7259 -0.00184445 0.00289135 -0.00666969 8
2397 283 H 29.7024 4.41429 35.8859 -0.00420175 0.00555831 0.0174215 8
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2399 285 H 29.2155 7.29273 36.7595 -0.00502681 0.00188314 0.0120653 8
2400 286 H 30.8716 6.62952 38.3102 -0.00291667 0.00490839 -0.0221445 8
2401 287 H 30.4539 4.92914 38.2496 -0.000262715 0.00129048 -0.00716352 8
2402 288 H 28.3484 5.36023 39.6091 -0.00476186 0.00847626 -0.0168062 8
2403 289 H 28.7199 7.08501 39.5435 0.00993479 0.00589803 0.00427922 8
2404 290 H 30.7576 6.72723 40.9113 -0.00198132 0.00211435 0.00359931 8
2405 291 H 30.5005 4.94473 40.8519 -0.00593251 -0.00465073 -0.0230178 8
2406 292 H 28.3373 5.30066 42.0163 0.0128931 -0.00766636 0.0067934 8
2407 293 H 28.6806 7.06005 42.0926 -0.0260785 -0.0112173 -0.00233757 8
2408 294 H 30.6936 6.66369 43.5363 0.00144482 0.00257973 -0.0100162 8
2409 295 H 30.5078 4.9091 43.4146 -0.0175893 -0.00934341 -0.00980591 8
2410 296 H 28.1936 5.27737 44.5075 0.00361298 0.000302163 -0.0054105 8
2411 297 H 28.6757 6.93255 44.7619 0.00714077 0.00274488 0.00351772 8
2412 298 H 30.7407 6.1105 46.0532 -0.00706069 0.0105064 0.00315501 8
2413 299 H 30.11 4.48521 45.9522 -0.00790553 -0.00342301 0.0102603 8
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2418 2 C 33.3321 6.53969 29.5905 0.00226899 -0.0035488 0.00061374 9
2419 3 C 32.7871 5.447 28.9192 -0.000974071 -0.00541097 0.000940455 9
2420 4 C 32.1369 4.42946 29.6497 0.00256961 -0.000838209 0.00262476 9
2421 5 C 31.9697 4.51079 31.0509 -0.00102641 -0.00328965 0.000114678 9
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2425 9 C 29.0417 3.07201 28.5709 0.00274649 -0.00336672 0.00258655 9
2426 10 C 30.134 3.07703 29.44 0.00107177 0.00389132 0.00244037 9
2427 11 C 29.9495 3.19583 30.8519 0.00322325 0.000875522 0.00164559 9
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2429 13 C 33.3536 -0.114733 31.3263 -0.00444334 0.00415758 0.00125367 9
2430 14 C 33.5022 -0.0848978 29.9233 0.00236967 -0.00281927 0.0022358 9
2431 15 C 32.9777 0.951704 29.1502 0.00184019 0.00429713 -0.0040612 9
2432 16 C 32.2929 1.99336 29.7746 0.00353851 -0.00281011 -0.000545672 9
2433 17 C 31.6006 3.12819 28.9993 0.00251134 0.00506186 0.000108343 9
2434 18 O 32.4277 0.871149 33.3337 0.00289551 -0.000166586 0.00167903 9
2435 19 O 28.3554 3.28366 32.7008 0.00196066 0.000121606 0.00207368 9
2436 20 O 32.2828 5.8894 33.137 -0.00444839 -0.00363394 -0.00129244 9
2437 21 C 32.6778 0.963325 31.9691 -0.00209362 -0.0019676 -0.00433758 9
2438 22 C 31.8498 3.07878 27.5598 0.0033452 0.000750523 0.0021617 9
2439 23 C 32.2838 3.15256 26.4323 -0.00417973 0.00118585 0.000313069 9
2440 24 C 33.0084 3.15465 25.199 -0.00422231 6.15468e-05 0.00110539 9
2441 25 C 33.5043 1.96664 24.6356 -0.00420049 -0.00116302 -0.000138646 9
2442 26 C 34.3408 2.05125 23.5041 -0.00256509 0.00315575 0.00130384 9
2443 27 C 34.6856 3.31912 22.9894 -0.00283575 0.00311216 0.00272672 9
2444 28 C 34.1676 4.49704 23.5405 -0.0025767 -0.000794623 0.00111576 9
2445 29 C 33.3593 4.42955 24.6739 0.00116686 0.00284552 -0.00446596 9
2446 30 C 35.4929 3.44421 21.7766 -0.00126731 0.00293882 0.00569148 9
2447 31 C 36.0634 3.55425 20.6838 -0.00305503 0.00128765 0.0017308 9
2448 32 C 34.8524 0.0999636 18.4517 0.00265609 -0.000241121 -0.00409631 9
2449 33 C 35.0772 0.0717059 17.0466 -0.00369251 0.00103705 0.00151776 9
2450 34 C 35.7509 1.10532 16.4031 0.00305752 -0.00168138 0.000212301 9
2451 35 C 36.1595 2.20916 17.1694 0.00252129 0.00168099 0.00373095 9
2452 36 C 35.9442 2.25962 18.5506 0.000590197 0.00423585 -0.000703952 9
2453 37 C 35.2767 1.19597 19.1992 0.000902642 -0.00124039 -0.000460664 9
2454 38 C 36.4961 3.55813 19.2591 0.00742769 0.000719923 0.0023181 9
2455 39 C 40.3715 3.98385 19.0798 -0.00282187 -0.00391414 0.00205119 9
2456 40 C 40.5106 4.01348 17.6778 -0.000210408 0.00606087 0.000421815 9
2457 41 C 39.4002 3.83975 16.8511 -0.00362026 5.93104e-05 0.00125559 9
2458 42 C 38.1508 3.60025 17.4306 -0.00318334 -0.000738779 0.00149902 9
2459 43 C 37.9946 3.60212 18.8482 -0.00397666 -0.00133899 -0.00728028 9
2460 44 C 39.1255 3.76509 19.6745 0.00104614 0.000886127 0.00420072 9
2461 45 C 34.4887 6.73899 18.1706 -0.00419613 -0.000556516 0.000923063 9
2462 46 C 34.7104 6.64025 16.7747 -0.000195221 -0.00365213 -0.000955041 9
2463 47 C 35.5056 5.60399 16.2244 -0.00683021 0.000265521 -0.00144802 9
2464 48 C 36.0369 4.63467 17.0912 -0.0012855 -0.00139332 -0.00427668 9
2465 49 C 36.8695 3.44783 16.6285 -0.00348752 0.00450444 -3.02186e-05 9
2466 50 C 35.8354 4.73449 18.4859 0.000709523 0.00246704 0.00270339 9
2467 51 C 35.0732 5.79524 19.0328 0.00409959 -0.00148751 -0.00105945 9
2468 52 O 39.4693 4.21315 15.5358 -0.00178358 0.000506241 -0.00488801 9
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2470 54 O 35.6991 5.52863 14.8708 -0.00316777 -0.00568172 -0.000172543 9
2471 55 C 31.2482 3.26 31.666 0.000803335 0.00432082 -0.00150878 9
2472 56 C 32.0638 2.0288 31.2023 0.00224903 -0.00338962 0.000499737 9
2473 57 C 39.5655 3.27954 14.4716 -9.18282e-05 0.00239953 -0.00188898 9
2474 58 C 39.1669 4.00575 13.1787 -0.00336641 -0.0014203 -6.51237e-05 9
2475 59 C 38.7179 3.11657 11.9967 0.00161968 -0.00341847 -0.000634781 9
2476 60 C 38.5742 3.83724 10.6356 -0.00193681 0.00171847 -0.00564971 9
2477 61 C 38.2027 2.87204 9.49496 0.00134284 8.91397e-05 0.000217117 9
2478 62 C 38.229 3.54791 8.09056 0.00396198 0.00526591 0.00127481 9
2479 63 C 37.8948 2.55797 6.9663 0.00148271 -0.000619698 0.000447734 9
2480 64 C 38.0167 3.14446 5.54416 0.000425901 0.000100796 -0.00414741 9
2481 65 C 37.5332 2.18235 4.45229 -0.000572401 -0.000872422 -0.00153881 9
2482 66 C 38.2828 2.23169 3.13299 -0.00345314 -0.00296559 -0.00580891 9
2483 67 C 38.5024 3.67361 2.56357 0.0048115 0.000218434 -0.00258711 9
2484 68 C 38.8459 3.69489 1.05285 8.78238e-05 0.000447595 -0.00197028 9
2485 69 F 34.8132 0.883971 23.0237 0.0027389 -0.00138521 0.00397189 9
2486 70 C 37.04 0.645824 14.4382 0.00045698 0.00297794 -0.00188186 9
2487 71 C 37.0876 -0.872108 14.1083 6.38004e-05 -0.00295387 -0.00176474 9
2488 72 C 38.0422 -1.20931 12.9191 0.00450642 -0.00280835 -0.00052844 9
2489 73 C 37.4731 -1.0517 11.4891 -0.000577712 -0.000469443 -0.00305621 9
2490 74 C 38.4805 -1.67961 10.4779 -0.00336103 -0.000499721 -0.00156574 9
2491 75 C 38.072 -1.83315 9.01063 -0.0011628 0.000329616 0.0011457 9
2492 76 C 38.3821 -0.633395 8.0742 -0.00464177 -0.000324619 -0.00070065 9
2493 77 C 38.84 -1.00948 6.65294 0.00385605 -0.000391173 0.000601151 9
2494 78 C 37.7406 -1.4849 5.6871 -0.000878842 -0.0040252 -0.00386361 9
2495 79 C 38.344 -1.64087 4.26445 -0.00231692 0.00253064 -0.00245154 9
2496 80 C 37.2578 -1.7765 3.18754 -0.00361146 0.00440041 0.00247978 9
2497 81 C 37.8575 -2.19861 1.83652 -0.0046785 -0.000213212 -0.00134175 9
2498 82 C 34.8547 4.56659 14.207 0.00117293 0.000871623 -0.0025312 9
2499 83 C 35.1707 4.4747 12.6971 0.000964779 -0.00542412 -0.000926619 9
2500 84 C 34.6598 5.72682 11.966 0.00203478 0.00106183 0.00130172 9
2501 85 C 33.976 5.4377 10.6336 0.000423727 0.00302659 0.00181893 9
2502 86 C 34.8003 4.81863 9.48577 -0.00133906 -0.00139926 0.00144432 9
2503 87 C 34.2389 5.24948 8.09395 -0.0030945 0.00272802 0.000319796 9
2504 88 C 34.5994 4.40566 6.89024 0.00148868 0.004632 -6.95545e-05 9
2505 89 C 34.0598 5.15405 5.59506 -0.00135083 0.00109169 0.000255638 9
2506 90 C 34.3623 4.44601 4.26602 -0.00339078 0.000745183 0.00078514 9
2507 91 C 33.7271 5.1745 3.04342 -0.00260286 0.000435844 0.00498498 9
2508 92 C 33.6199 4.25746 1.79205 0.00151976 -0.00328365 -0.00221283 9
2509 93 C 34.9963 3.71648 1.26906 -0.00206324 0.00304877 0.00265047 9
2510 94 C 26.9924 3.63593 33.2018 -0.00392115 0.00520348 0.00178939 9
2511 95 C 26.8422 3.31361 34.7172 -0.0032974 -0.000862603 -0.00531355 9
2512 96 C 25.401 3.32949 35.3021 0.00120053 0.00297558 0.00234307 9
2513 97 C 25.3818 2.8854 36.7889 -0.00196381 -0.000980311 -0.0020431 9
2514 98 C 25.8447 3.88305 37.8164 0.00167311 -0.0012072 -0.00392381 9
2515 99 C 25.6042 3.18623 39.209 0.00326884 -0.000817777 -0.00317659 9
2516 100 C 25.7302 4.07346 40.4655 -0.00137612 0.00348487 -0.000490225 9
2517 101 C 25.5068 3.21766 41.7422 -0.00169882 -0.00317796 -0.00284576 9
2518 102 C 25.7532 3.97684 42.9956 -0.00113732 -0.0013005 -0.000436305 9
2519 103 C 25.6359 3.05041 44.2205 0.00199484 -0.00082199 0.000867911 9
2520 104 C 26.1781 3.64244 45.546 -0.00141984 -0.00151302 -0.000242079 9
2521 105 C 25.7982 2.8523 46.7797 0.0029587 -0.00177718 0.00198995 9
2522 106 C 32.9002 7.09367 33.6851 -0.00438303 0.000903727 -0.00158504 9
2523 107 C 32.8689 7.31666 35.2118 -0.00380189 0.00165497 0.00223694 9
2524 108 C 33.8875 8.39417 35.557 0.00020308 -0.00383627 -0.00148734 9
2525 109 C 33.9064 8.84322 37.0508 0.00330687 0.00384275 -0.00311076 9
2526 110 C 33.9771 7.83174 38.1708 -0.00146746 0.000502028 0.00386107 9
2527 111 C 33.9697 8.51668 39.5479 -0.00196619 -0.00196375 0.00318644 9
2528 112 C 33.6042 7.54762 40.6966 -0.000293901 0.00294242 0.00163214 9
2529 113 C 33.1524 8.21278 42.0399 0.00067088 0.000431587 -0.00223926 9
2530 114 C 34.2671 8.71179 42.9309 0.000175946 0.000468789 0.00174658 9
2531 115 C 33.8346 9.16136 44.3329 0.000643879 -0.00156682 -0.00165947 9
2532 116 C 33.3949 8.032 45.2698 -0.0019655 -0.000845563 0.00284178 9
2533 117 C 33.5999 8.3256 46.7758 -0.000976596 0.00350967 -0.0011904 9
2534 118 C 33.0387 -0.16395 34.1163 -0.000454013 -0.000594806 0.000255869 9
2535 119 C 32.4581 -0.189682 35.5258 -0.00145498 0.00117737 0.000640903 9
2536 120 C 33.3934 -0.937949 36.474 0.00144698 -0.0029794 0.00580214 9
2537 121 C 32.9741 -0.665908 37.9255 0.000841459 -0.00409878 -0.00410314 9
2538 122 C 34.0386 -1.08695 38.974 -0.000835105 -0.000263203 -0.00049493 9
2539 123 C 34.2211 -0.109738 40.119 -0.00109078 -0.00247511 0.00195593 9
2540 124 C 33.331 -0.279717 41.3798 0.00136157 -0.00264 -0.00134197 9
2541 125 C 33.5869 -1.60976 42.1448 -2.66163e-05 0.000374056 -0.00134163 9
2542 126 C 33.097 -1.61865 43.6025 -0.00109386 0.00578475 -0.00103247 9
2543 127 C 34.0821 -0.924522 44.5693 0.00492806 0.00490105 0.000169796 9
2544 128 C 33.9273 -1.2363 46.0367 0.00239373 -0.00153391 0.00216549 9
2545 129 C 32.8352 -0.439296 46.7468 0.00214557 6.5599e-05 -0.00243785 9
2546 130 F 33.1944 0.75713 25.2068 -0.00350441 0.00178999 -0.000480439 9
2547 131 H 33.4765 7.56972 31.4231 0.0092511 -0.00128048 0.00220548 9
2548 132 H 33.9392 7.25683 29.046 0.0110604 -0.0105617 0.0011534 9
2549 133 H 32.9232 5.39978 27.8428 -0.00319381 0.00351618 0.000262609 9
2550 134 H 26.512 3.48121 30.7468 -0.00727402 -0.00874677 -0.0160818 9
2551 135 H 26.9119 3.33732 28.4048 -0.00567133 0.00572081 0.00909844 9
2552 136 H 29.1326 3.01728 27.4901 0.00971102 0.00325081 0.00284667 9
2553 137 H 33.8568 -0.892557 31.893 -0.00956732 0.00107661 0.00155949 9
2554 138 H 34.0948 -0.833032 29.4051 0.00315608 0.000441747 -0.00158084 9
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2557 141 H 32.9958 5.34647 25.1283 0.00653681 0.00160189 0.0023332 9
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2559 143 H 34.7364 -0.726212 16.3934 0.00340903 -0.00522289 0.00547955 9
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2565 149 H 34.3179 7.41692 16.125 -0.0170219 -0.00149813 0.0117983 9
2566 150 H 36.9743 3.44579 15.5366 -0.00994314 -0.0186859 -0.000594288 9
2567 151 H 34.9675 5.84817 20.1123 -0.0127169 0.00229249 -0.00292444 9
2568 152 H 31.1085 3.24072 32.7539 0.00526943 -0.0062039 -0.00110099 9
2569 153 H 40.586 2.89424 14.3553 0.00295424 0.0109651 -0.00358194 9
2570 154 H 38.8418 2.47159 14.6355 -0.00804715 0.0121911 0.0112658 9
2571 155 H 40.0367 4.57858 12.8343 0.000884854 0.00199036 0.0164049 9
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2573 157 H 37.7701 2.62177 12.2419 -0.000171702 -0.00139893 -0.00350208 9
2574 158 H 39.4277 2.2876 11.8852 0.0106438 0.0051711 -0.00707805 9
2575 159 H 39.5213 4.3378 10.3992 -0.000459169 0.00571807 0.00871291 9
2576 160 H 37.7878 4.60085 10.6782 -0.0126877 -0.00907504 -0.010369 9
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2578 162 H 38.8364 1.97677 9.51168 0.00626473 0.00340227 -0.0099469 9
2579 163 H 39.1865 4.05861 7.93033 0.00315791 0.00156694 -0.0152083 9
2580 164 H 37.4778 4.34635 8.05096 -0.0043944 -0.00237115 0.00589505 9
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2583 167 H 39.047 3.49264 5.4004 0.00266837 -0.00097485 0.00923679 9
2584 168 H 37.4397 4.07183 5.44194 -0.00888585 -0.00415875 0.00993087 9
2585 169 H 36.4886 2.44283 4.24186 0.00159288 0.01799 0.0110061 9
2586 170 H 37.5415 1.14223 4.80083 0.0119531 -0.000204154 0.000145406 9
2587 171 H 37.7673 1.58564 2.41171 0.00913893 -0.0149695 -0.00404663 9
2588 172 H 39.3029 1.86418 3.29944 0.00292107 0.0136797 -0.00775696 9
2589 173 H 39.3084 4.16134 3.12557 -0.000633774 -0.00162561 0.00682805 9
2590 174 H 37.6276 4.32431 2.6854 -0.00318056 -0.00887998 -0.0114724 9
2591 175 H 38.8039 4.74397 0.734939 -0.00286743 0.00148187 0.00180095 9
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2601 185 H 37.3628 0.0176648 11.2707 -0.00376181 0.00111533 0.0063116 9
2602 186 H 39.4377 -1.15212 10.5726 -0.00394703 -0.00070045 0.00564063 9
2603 187 H 38.6926 -2.69964 10.8214 -0.00609336 0.000899823 0.00427581 9
2604 188 H 38.6139 -2.72785 8.67995 0.00135645 0.0039518 -0.00449641 9
2605 189 H 37.0088 -2.0967 8.95217 0.000282321 -0.0050974 -0.000843076 9
2606 190 H 37.5137 0.0362419 8.04711 0.000475646 0.00619599 -0.00365298 9
2607 191 H 39.2042 -0.0406158 8.49394 -0.00633888 -0.00281474 0.00612475 9
2608 192 H 39.3444 -0.148424 6.19738 -0.0119255 0.00562888 -0.00552923 9
2609 193 H 39.5282 -1.86069 6.72497 0.00655364 0.00121647 -0.00631891 9
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2614 198 H 36.5595 -2.56466 3.49525 0.00217426 0.0032825 0.0127651 9
2615 199 H 36.7409 -0.819461 3.04484 0.00927072 0.0117628 0.00513101 9
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2618 202 H 37.0979 -2.27157 1.04842 -0.0116114 -0.0145543 0.00668724 9
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2620 204 H 33.7901 4.81072 14.3085 0.00480594 0.0073278 0.0194289 9
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2622 206 H 34.651 3.57684 12.3405 -0.00151214 -0.00935394 0.0125228 9
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2624 208 H 35.5126 6.37917 11.7411 0.00162466 0.000314517 -0.00244011 9
2625 209 H 33.1349 4.77185 10.8629 -0.00281302 0.0110389 0.0131982 9
2626 210 H 33.4746 6.33738 10.2559 0.00572932 0.00979671 0.0109696 9
2627 211 H 35.8588 5.093 9.57346 -0.00191712 -0.00052322 0.0056721 9
2628 212 H 34.7828 3.72584 9.58016 0.0083257 -5.79561e-05 0.0189132 9
2629 213 H 33.1472 5.25949 8.20163 -0.00347158 -0.00834144 -0.00269645 9
2630 214 H 34.4749 6.30147 7.89138 -0.013675 0.00312437 -0.0100464 9
2631 215 H 35.6818 4.27377 6.77053 0.00363339 0.00767418 0.016259 9
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2633 217 H 32.976 5.29405 5.69099 -0.000969422 0.0010009 0.00471243 9
2634 218 H 34.441 6.18039 5.52626 0.00125837 0.000493742 0.00588236 9
2635 219 H 35.4467 4.38159 4.1135 -0.00300223 -0.00518122 0.00603029 9
2636 220 H 34.0184 3.40823 4.3566 -0.00723486 0.00271005 0.0087242 9
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2638 222 H 34.3324 6.05067 2.78018 -0.00696836 0.00265456 0.00234522 9
2639 223 H 33.0505 3.36306 2.07356 -0.00469607 -0.00239486 -0.0119855 9
2640 224 H 33.0687 4.71373 0.960548 0.0186516 0.00747079 -0.00766376 9
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2642 226 H 34.8956 3.00658 0.438815 0.00549135 -0.0127487 0.0152264 9
2643 227 H 35.6391 4.54066 0.935917 0.00549323 -0.00804502 -0.0101809 9
2644 228 H 26.919 4.70932 32.9877 0.00230298 0.00278061 -0.0126335 9
2645 229 H 26.2125 3.05636 32.6926 -0.00707471 0.000411262 0.0120602 9
2646 230 H 27.1406 2.2593 34.7701 -0.00318031 2.65994e-06 0.010673 9
2647 231 H 27.5188 3.97536 35.272 -0.0092423 -0.00137121 0.00250595 9
2648 232 H 24.9094 4.3049 35.2004 -0.00137657 1.17114e-05 -0.0135223 9
2649 233 H 24.7764 2.64015 34.7206 -0.0151633 0.0109885 0.0104283 9
2650 234 H 24.3253 2.69183 37.0121 0.00054271 -0.00383927 0.00728817 9
2651 235 H 25.9879 1.98044 36.9193 0.00730737 0.00586601 0.00235939 9
2652 236 H 26.9025 4.1262 37.6569 0.00596634 -0.0081915 0.0139085 9
2653 237 H 25.2487 4.80117 37.7446 0.0093184 0.00530997 0.0157504 9
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2662 246 H 24.5824 2.76763 44.337 0.0018803 0.00248826 0.00783787 9
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2678 262 H 34.8392 7.16474 38.0469 0.00528879 0.00635708 0.0194447 9
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2703 287 H 33.7626 -2.08147 39.3456 -0.00586585 0.0030767 0.00470798 9
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2720 2 C 37.1569 13.3945 29.8036 -0.000198409 0.000281344 -0.00269444 10
2721 3 C 36.5705 12.3381 29.1634 0.00300267 -0.00235836 -0.00131924 10
2722 4 C 36.0113 11.279 29.8907 -0.00284532 -0.00023815 0.00246087 10
2723 5 C 35.9112 11.3573 31.3011 -0.00208454 0.00423753 -0.000113361 10
2724 6 C 36.4696 12.4667 31.9622 0.00128904 -0.000527711 0.00291257 10
2725 7 C 31.4301 10.0365 30.8774 1.12533e-05 0.000568194 0.000674886 10
2726 8 C 31.5906 10.013 29.4769 -0.000364307 0.00309057 0.00124449 10
2727 9 C 32.8469 10.0051 28.8876 0.000123261 0.00178547 -0.00185757 10
2728 10 C 33.98 10.0422 29.7256 -0.00133242 -0.00162082 0.00450677 10
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2730 12 C 32.5301 10.1107 31.7162 -0.000385049 0.00230497 -0.00029624 10
2731 13 C 37.1338 6.72022 31.4565 -0.00128446 -0.00167451 -0.00319721 10
2732 14 C 37.2678 6.74947 30.0558 -0.000307353 -0.000428123 0.00445726 10
2733 15 C 36.6674 7.7277 29.3392 -0.00349134 -0.000422708 9.60978e-05 10
2734 16 C 36.0528 8.81954 29.9907 -0.00545316 0.000690364 0.00400637 10
2735 17 C 35.4413 10.0342 29.2458 -0.000366502 -0.00494191 0.00143339 10
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2739 21 C 36.4445 7.73383 32.1293 -0.00414635 0.00188878 0.000236671 10
2740 22 C 35.6747 9.96977 27.8286 0.00011729 -0.00273233 -0.00228664 10
2741 23 C 36.1256 9.90122 26.698 0.00612537 -0.00172379 -0.00051818 10
2742 24 C 36.8607 9.88572 25.4951 0.00272959 -0.00217092 -0.00333169 10
2743 25 C 36.7207 8.92155 24.4845 0.000297603 -0.00185285 -0.00116767 10
2744 26 C 37.5351 8.92369 23.367 -0.00188256 -0.00339686 0.00399201 10
2745 27 C 38.6387 9.83437 23.3109 -0.00655927 -0.00059616 0.000290799 10
2746 28 C 38.7901 10.7856 24.3388 0.00463199 0.00308358 0.000483579 10
2747 29 C 37.9481 10.7797 25.4334 -0.00519554 -1.98167e-06 0.00365753 10
2748 30 C 39.3975 9.97483 22.0982 -0.00298743 -0.00295269 0.00252377 10
2749 31 C 39.9138 10.1124 21.0023 -0.000247615 0.00205557 0.00248321 10
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2752 34 C 39.4254 8.18369 16.5427 -0.00129614 -0.00298957 0.00275501 10
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2757 39 C 44.2113 10.4198 19.6885 -0.00250723 -0.00132877 0.00141413 10
2758 40 C 44.4576 10.3811 18.3063 -0.00311068 -0.00294715 0.00105291 10
2759 41 C 43.3924 10.2545 17.3921 -0.00188993 0.00357223 0.00348136 10
2760 42 C 42.0842 10.277 17.8722 -0.000823376 -0.000274062 0.00090883 10
2761 43 C 41.8127 10.2738 19.2684 0.00331305 -3.03795e-05 0.000323274 10
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2764 46 C 39.0895 13.7501 17.3645 0.00260163 -0.00122573 -0.000165152 10
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2766 48 C 40.0838 11.5316 17.5114 -0.00241508 0.000122556 -0.00120925 10
2767 49 C 40.8071 10.3015 17.0124 -0.00127034 -0.00146712 -0.00328481 10
2768 50 C 39.7888 11.4803 18.9008 -0.00600623 -0.000937544 -0.00151656 10
2769 51 C 39.1403 12.5666 19.4972 0.00251098 0.000439699 0.000343053 10
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2776 58 C 44.8382 9.91569 13.8686 -0.000991258 0.00202 0.000810608 10
2777 59 C 44.2334 8.75723 13.0436 0.00216971 -0.00447352 0.00034088 10
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2779 61 C 42.349 9.81633 11.6029 -0.00190046 -0.00197376 0.00454695 10
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2781 63 C 41.7728 9.89576 9.11292 -0.00304405 -0.00171645 0.00181875 10
2782 64 C 42.4955 10.1635 7.77138 0.00218479 -0.0045516 -0.00431699 10
2783 65 C 41.5049 10.5943 6.70612 -0.00116384 0.00290256 -0.00117253 10
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2785 67 C 42.3619 10.0295 4.26621 0.00423329 0.00560027 -0.000701177 10
2786 68 C 42.6669 10.5902 2.84504 0.00259643 -0.00271296 -0.00231673 10
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2792 74 C 38.2579 6.99962 9.17526 0.000467021 0.00146193 0.00527093 10
2793 75 C 38.2648 7.83226 7.87388 -0.00152597 -0.0012868 -0.00276523 10
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2797 79 C 38.7673 7.52861 2.85367 0.00278652 0.0015421 0.00498242 10
2798 80 C 37.6957 8.10797 1.96773 -0.00475324 -0.00127117 0.00198917 10
2799 81 C 36.7711 7.09179 1.29374 0.00262552 -0.0030926 0.00031702 10
2800 82 C 40.5589 13.5439 14.6414 0.00119023 -0.00403178 0.000398459 10
2801 83 C 41.099 13.09 13.271 0.00234306 -0.00348766 0.000309748 10
2802 84 C 41.3652 14.3276 12.3569 -0.000429198 -0.00533339 0.000928327 10
2803 85 C 41.534 14.0727 10.8213 0.000812915 -0.00621674 0.000339429 10
2804 86 C 41.9409 15.384 10.1511 -0.000122393 0.000753361 0.0013665 10
2805 87 C 42.3586 15.2323 8.66777 0.00236881 0.00271531 0.00263707 10
2806 88 C 41.324 14.4828 7.81954 -0.00117653 0.0026514 0.00303427 10
2807 89 C 41.3808 14.8109 6.28191 0.000649624 -0.00180113 0.00142065 10
2808 90 C 42.7573 14.6646 5.59035 -0.000303845 0.000377195 -0.0069995 10
2809 91 C 42.6957 14.4048 4.09706 -0.00115776 -0.0021597 -0.00202499 10
2810 92 C 41.5274 14.9914 3.25692 0.00126168 0.00121577 0.00130403 10
2811 93 C 41.6018 14.4917 1.78462 -0.00580988 0.00341221 0.00317293 10
2812 94 C 30.97 10.3209 33.6713 0.00566653 -0.00151086 -0.0020351 10
2813 95 C 31.0624 10.4368 35.201 0.00010347 -0.00121707 0.00204782 10
2814 96 C 29.8374 10.2283 36.1682 0.000728421 0.00504878 -0.00331304 10
2815 97 C 30.4049 10.0053 37.5619 0.00109788 0.000324222 -0.00109721 10
2816 98 C 29.4853 9.94942 38.7575 0.000679036 -0.00210744 0.00079885 10
2817 99 C 30.3321 9.58497 40.0131 -0.00365009 -0.000253913 0.00508056 10
2818 100 C 29.5764 9.5091 41.347 0.00401938 -0.00318049 0.0012463 10
2819 101 C 29.3741 10.8802 41.968 0.00157839 0.00398766 0.000759441 10
2820 102 C 29.7176 10.9355 43.472 -0.00181619 -0.00206529 0.00504827 10
2821 103 C 28.759 10.0343 44.3319 0.00419744 -0.000443177 0.00185037 10
2822 104 C 29.0297 10.2483 45.8518 -0.00208306 0.00325071 0.000329507 10
2823 105 C 30.4468 9.75736 46.241 -0.00207646 0.000219985 -0.0014422 10
2824 106 C 37.1216 13.8129 33.9355 -0.00140245 -0.00156433 0.00396006 10
2825 107 C 37.011 14.0006 35.4734 -0.000298681 0.00493114 0.00342378 10
2826 108 C 37.7346 15.2668 35.9854 0.00037185 0.00204732 0.00110788 10
2827 109 C 37.3852 15.6552 37.4619 -0.00266095 -0.000584942 0.00229861 10
2828 110 C 37.4056 14.484 38.4337 -0.00708127 0.00210402 -0.00682917 10
2829 111 C 36.7534 14.6586 39.7893 -0.00130809 0.00146579 -0.000504902 10
2830 112 C 37.4334 15.6848 40.6685 -0.0018659 0.00173627 -0.00131953 10
2831 113 C 36.8134 15.8202 42.0668 -0.00178623 0.00376712 -0.00117105 10
2832 114 C 37.021 14.6034 42.9776 -0.000235582 -0.00247191 -0.00498242 10
2833 115 C 36.5826 14.8459 44.4256 -0.00305536 0.00140386 -0.00604271 10
2834 116 C 37.5859 15.6362 45.2773 0.00263221 0.00101448 0.00101046 10
2835 117 C 37.2062 15.798 46.7462 -0.00379842 0.00281192 0.00285978 10
2836 118 C 36.9577 6.45501 34.2234 0.00195133 0.00487577 -0.000219137 10
2837 119 C 36.7237 6.39281 35.7781 0.0003332 -0.000197617 0.0019999 10
2838 120 C 37.6012 5.2896 36.4624 -0.00309912 0.0034681 -0.00143647 10
2839 121 C 37.4583 5.31539 37.9916 0.00228801 -0.00312448 -0.00311598 10
2840 122 C 38.1663 6.45715 38.7178 -0.00250399 0.000960306 0.000262532 10
2841 123 C 37.6436 6.70446 40.1549 0.00318066 0.00236899 -0.000875958 10
2842 124 C 37.9545 5.54659 41.1034 0.00381382 0.00226424 0.00347825 10
2843 125 C 37.0766 5.52707 42.304 0.00116403 -0.00172057 -0.00049074 10
2844 126 C 37.6269 6.33338 43.4737 -0.00557238 5.35424e-05 -0.00273611 10
2845 127 C 36.8549 5.95913 44.7787 -0.000281438 0.0022445 -0.00332588 10
2846 128 C 37.0807 6.94949 45.9478 -0.00758941 0.00372497 0.00638862 10
2847 129 C 38.6026 7.05448 46.3011 0.00071558 0.00500124 0.000194746 10
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2865 147 H 42.7022 10.3921 21.243 -0.00113327 -0.00661877 -0.000873821 10
2866 148 H 38.3532 14.5596 19.2199 -0.00634225 0.00462672 -0.0104045 10
2867 149 H 38.8311 14.6481 16.811 -0.0157193 -0.00117121 0.00848089 10
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2880 162 H 41.273 9.98519 11.7335 -0.00422633 -0.0085419 -0.0062399 10
2881 163 H 42.3584 8.19525 10.2683 0.00339142 -0.00245445 -0.0072315 10
2882 164 H 43.6889 9.34292 9.90689 7.8963e-05 0.0102053 -0.00509099 10
2883 165 H 41.3869 10.8702 9.43689 0.0100218 0.00106686 0.00904556 10
2884 166 H 40.953 9.19711 8.90487 -0.00365108 -0.00177848 0.00441968 10
2885 167 H 43.0015 9.25213 7.42968 0.0178665 0.000475233 0.00552428 10
2886 168 H 43.2378 10.9642 7.87802 0.00678351 -0.0110506 0.0123572 10
2887 169 H 40.8971 11.4466 7.03413 -0.00664363 -0.00032619 -0.00289045 10
2888 170 H 40.7424 9.82973 6.51259 0.00342173 0.00142749 -0.0133876 10
2889 171 H 43.1137 11.5628 5.59425 0.00529542 0.00421588 -0.0131586 10
2890 172 H 41.5328 11.8551 4.93886 -0.00595189 -0.0114222 -0.00910383 10
2891 173 H 41.4037 9.50448 4.16883 0.0038233 0.00625392 -0.000194984 10
2892 174 H 43.1066 9.29592 4.59902 0.0028698 0.00451831 -2.99719e-05 10
2893 175 H 42.9389 9.78318 2.15354 0.00892496 -0.00397994 0.00165727 10
2894 176 H 43.4896 11.3141 2.89431 0.00108879 -0.00128952 0.00203149 10
2895 177 H 41.7201 10.9953 2.46699 -0.000126372 0.00607235 0.0139058 10
2896 178 H 39.7252 6.44818 14.3182 0.000755212 0.00396505 -0.00229109 10
2897 179 H 38.0728 7.08924 14.4245 -0.00117468 0.00552675 -0.00357996 10
2898 180 H 38.5218 8.92004 12.8269 -0.00694457 -0.00304408 -0.00114917 10
2899 181 H 40.1532 8.38594 12.6465 0.00436674 -0.00313798 0.00506606 10
2900 182 H 39.405 6.24061 11.6212 -2.85787e-05 -0.000955936 0.00211698 10
2901 183 H 37.7127 6.70587 11.9744 -0.00464673 0.00119768 0.00178056 10
2902 184 H 37.9912 8.67928 10.4086 -0.00679489 -0.00723132 0.0209133 10
2903 185 H 39.7083 8.24503 10.2383 0.0068272 -0.00634095 0.00767996 10
2904 186 H 38.942 6.15516 9.0257 0.00302631 0.00415104 0.0017692 10
2905 187 H 37.2559 6.5739 9.30987 -0.00279413 0.00518352 -0.00715503 10
2906 188 H 37.5611 8.66881 7.96557 0.00581186 0.00589017 -0.0120529 10
2907 189 H 39.281 8.18916 7.6659 -0.00319814 -0.00394326 -0.0156755 10
2908 190 H 38.5637 6.09374 6.72105 -0.0183431 -0.0120831 0.00211 10
2909 191 H 36.8795 6.57323 6.65011 0.000946373 0.0010512 0.00358687 10
2910 192 H 37.3499 8.48612 5.17143 -0.00779125 -0.00578078 -0.0186401 10
2911 193 H 39.0824 8.33985 5.44133 -0.00830408 0.0109393 0.00586339 10
2912 194 H 39.0002 6.04618 4.35688 0.000298111 0.00025617 0.00349489 10
2913 195 H 37.2819 6.31169 3.96832 -0.00571892 0.00114244 0.00903871 10
2914 196 H 39.5009 8.29359 3.13665 0.00551341 0.00376778 -0.00812322 10
2915 197 H 39.3346 6.79888 2.26286 0.00313322 0.00340705 0.0030135 10
2916 198 H 37.0852 8.77721 2.58638 -0.010133 -0.00968143 0.00579424 10
2917 199 H 38.186 8.69517 1.18146 -0.0034108 -0.0122993 -0.00541803 10
2918 200 H 37.3033 6.54787 0.503563 0.000274634 1.49041e-06 -0.00339844 10
2919 201 H 36.3802 6.33482 1.9848 0.000409172 -0.00885582 -0.0072374 10
2920 202 H 35.9842 7.67416 0.798827 0.00316629 -0.00830281 -0.00666204 10
2921 203 H 39.8094 14.33 14.4876 -0.0137179 -0.0174369 0.00449456 10
2922 204 H 41.3975 13.9754 15.2017 -0.00303573 0.000824352 0.00297472 10
2923 205 H 41.9271 12.3749 13.3502 0.00973716 0.00505276 -0.000101679 10
2924 206 H 40.3461 12.4905 12.7446 -0.0039627 0.0047297 -2.62039e-05 10
2925 207 H 40.5161 15.0148 12.4584 -0.00326224 -0.00749254 -0.00821753 10
2926 208 H 42.1856 14.8779 12.8341 0.00526328 -0.0188451 0.00674224 10
2927 209 H 42.3149 13.3303 10.6152 -0.00339474 -0.00882675 -0.00619264 10
2928 210 H 40.6077 13.7249 10.3476 -0.00664653 0.00652051 0.00558503 10
2929 211 H 41.1346 16.1266 10.1946 -0.0108023 -0.0104008 -0.00641419 10
2930 212 H 42.7794 15.8153 10.7117 0.00355316 -0.00405496 -0.000432283 10
2931 213 H 42.568 16.2149 8.22745 0.0040714 0.00151854 0.000775853 10
2932 214 H 43.2855 14.646 8.64689 0.00209937 0.00196519 0.0112153 10
2933 215 H 41.6038 13.4309 7.95609 -0.0120395 -0.00153645 -0.00712923 10
2934 216 H 40.3085 14.5387 8.23052 -0.00196077 -0.00306606 0.00189955 10
2935 217 H 40.5962 14.2183 5.79556 1.41274e-05 0.000110556 0.000117886 10
2936 218 H 41.1305 15.8707 6.14983 -0.0140824 -0.00438598 0.00878809 10
2937 219 H 43.2996 15.6022 5.76462 0.00897591 -0.00702527 0.00395906 10
2938 220 H 43.3401 13.9024 6.12215 0.00174164 0.00115414 -0.00813096 10
2939 221 H 43.6273 14.8141 3.68702 0.0104227 -0.0185741 0.00791511 10
2940 222 H 42.7492 13.3204 3.94027 -0.00182486 -0.00216191 -0.00223465 10
2941 223 H 40.5739 14.6242 3.6563 -0.000507614 -0.000370952 -0.00437776 10
2942 224 H 41.4771 16.0833 3.35066 0.00247935 0.00120171 0.00211579 10
2943 225 H 42.5813 14.7039 1.3385 -0.00584879 -0.00535433 -0.00109169 10
2944 226 H 41.4227 13.4157 1.66762 -0.00788371 0.00360278 0.0046056 10
2945 227 H 40.8634 14.9618 1.12347 1.62087e-05 -0.000825993 -0.006381 10
2946 228 H 30.4848 11.2415 33.3242 0.000486617 0.0029905 0.0170603 10
2947 229 H 30.3768 9.45905 33.3415 0.00191334 -0.000700375 0.0026131 10
2948 230 H 31.8311 9.72705 35.5309 0.00854814 0.00267457 -0.00928364 10
2949 231 H 31.4216 11.4499 35.4201 -0.00248843 0.000463641 -0.00145967 10
2950 232 H 29.1717 11.0998 36.192 -0.00346229 0.00174952 0.000260252 10
2951 233 H 29.2178 9.34205 35.9836 0.00187889 0.00342367 0.000567539 10
2952 234 H 30.9087 9.03263 37.5032 -0.00245103 -0.00197302 0.00661558 10
2953 235 H 31.16 10.7786 37.7494 0.00779041 -0.00515414 -0.00544867 10
2954 236 H 28.9468 10.8909 38.9219 0.00939501 0.0016359 0.00782627 10
2955 237 H 28.6798 9.23195 38.5578 -0.0156744 0.0158992 0.00177535 10
2956 238 H 30.79 8.6154 39.7814 0.0179258 0.0116936 -0.00210228 10
2957 239 H 31.0684 10.3869 40.1481 0.000444065 -0.000246648 -0.0175479 10
2958 240 H 28.6193 9.01628 41.1361 -0.00105153 0.00581216 0.0033067 10
2959 241 H 30.1193 8.84573 42.0316 0.012305 0.0108643 0.00825643 10
2960 242 H 29.8863 11.6799 41.4187 0.0123002 0.00125728 0.00681163 10
2961 243 H 28.3232 11.1924 41.9303 -0.000414245 -0.00443925 -0.0121499 10
2962 244 H 30.7496 10.5952 43.6224 -0.00433549 -0.00917663 0.00631311 10
2963 245 H 29.6347 11.9619 43.8501 0.000451243 0.00243613 -0.00667162 10
2964 246 H 27.7089 10.273 44.123 0.0103201 0.00893492 -0.0180239 10
2965 247 H 28.8911 8.98164 44.0528 0.00340981 0.00241695 -0.00932695 10
2966 248 H 29.0011 11.3204 46.0824 0.0160288 0.00354217 0.00137724 10
2967 249 H 28.2927 9.70301 46.4543 0.00610297 -0.000729951 0.00675814 10
2968 250 H 30.5987 9.99669 47.3007 -0.00509266 0.00406764 -0.00187392 10
2969 251 H 30.5961 8.67887 46.1069 0.00548818 0.000476338 0.00483279 10
2970 252 H 31.2124 10.3078 45.6804 -0.00980782 0.0191839 0.00659159 10
2971 253 H 38.1769 13.6852 33.6647 -0.00465533 0.00439402 -0.011561 10
2972 254 H 36.7608 14.7329 33.4592 0.00423931 -0.010228 -0.0170769 10
2973 255 H 35.9911 14.0324 35.8761 -0.00546361 0.0105302 -0.0101717 10
2974 256 H 37.5705 13.21 35.9885 0.00421895 0.00463312 -0.00193751 10
2975 257 H 38.8183 15.1269 35.888 0.000329655 0.00448029 -0.00286053 10
2976 258 H 37.5033 16.1411 35.3646 0.00233441 0.00145263 -0.000453478 10
2977 259 H 38.1475 16.3864 37.7581 -0.00887844 0.0059361 0.00214512 10
2978 260 H 36.3792 16.0876 37.5283 -0.00113562 0.00355929 -0.00171098 10
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2980 262 H 38.4719 14.2808 38.5927 -0.00586757 0.0014404 -0.0158305 10
2981 263 H 35.6894 14.8693 39.6255 4.26898e-05 0.000777891 -0.0101871 10
2982 264 H 36.6842 13.6884 40.2966 0.00632 -0.00653549 -0.0147982 10
2983 265 H 38.4672 15.3247 40.7394 0.000131104 0.00561165 -0.0106352 10
2984 266 H 37.4437 16.6511 40.1493 -0.00304929 0.00255972 0.000191777 10
2985 267 H 37.3238 16.6516 42.5686 0.011222 -0.0022421 -0.0043835 10
2986 268 H 35.7278 15.977 42.0481 -0.000730553 0.0120307 0.00692473 10
2987 269 H 36.3786 13.8119 42.5724 0.00275136 -0.0118023 0.00854232 10
2988 270 H 38.065 14.2737 42.9092 0.000961406 0.000951352 -0.00319735 10
2989 271 H 35.6343 15.3944 44.483 0.00733423 0.0173698 0.0141071 10
2990 272 H 36.4444 13.8907 44.9471 -0.00245827 0.00687636 0.00417543 10
2991 273 H 38.515 15.0579 45.2012 0.000522094 -0.00135508 -0.00697334 10
2992 274 H 37.7899 16.6041 44.803 -0.00204077 0.00355431 0.0041931 10
2993 275 H 37.1522 14.8233 47.2467 0.00825512 -0.00666754 -0.0143078 10
2994 276 H 37.9407 16.4582 47.2238 0.00599375 0.000497438 -0.00896807 10
2995 277 H 36.2096 16.2546 46.7886 -0.00954435 -0.00984908 0.00425884 10
2996 278 H 36.6521 5.45985 33.8774 0.00345005 0.0076387 -0.00942141 10
2997 279 H 38.0362 6.48344 34.025 0.00288639 -0.00868858 0.00283194 10
2998 280 H 35.6777 6.14043 35.9918 -0.00040647 -0.00704935 -0.00964906 10
2999 281 H 36.9817 7.35582 36.2357 -0.0185387 -0.00122825 0.0147543 10
3000 282 H 38.6548 5.42099 36.1865 0.00123054 -0.0017979 0.0126715 10
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3002 284 H 37.8563 4.37132 38.3837 0.00896453 0.00219373 0.00291755 10
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3007 289 H 38.1909 7.56963 40.5491 0.00371845 -0.00110474 0.00600427 10
3008 290 H 39.0052 5.66584 41.3954 0.00298391 0.00216863 0.00649597 10
3009 291 H 37.7897 4.56904 40.6337 -0.00140061 0.00924137 -0.00918427 10
3010 292 H 37.0932 4.5124 42.7207 -0.0029139 0.000329314 0.00469588 10
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3017 299 H 36.6673 7.94666 45.7525 -0.000990667 0.00336939 -0.00938607 10
3018 300 H 39.1619 7.52149 45.4811 0.00194691 0.00467693 0.000850648 10
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3022 2 C 41.121 6.6585 29.762 -0.00268803 -0.000109166 -0.000714253 11
3023 3 C 40.5999 5.59356 29.0606 -0.000668654 -0.000524992 0.00338375 11
3024 4 C 39.9819 4.53847 29.757 -0.00128527 -0.000901193 -0.00249261 11
3025 5 C 39.8266 4.5736 31.1505 0.00109096 0.00039526 -0.00329302 11
3026 6 C 40.4094 5.66417 31.8767 0.00101286 0.000932655 -0.00127443 11
3027 7 C 35.4194 3.3767 30.306 0.00035787 0.00193562 -0.00110144 11
3028 8 C 35.6792 3.24975 28.9498 0.00292597 0.00179979 -0.00101882 11
3029 9 C 36.9625 3.16942 28.4717 0.00422771 -0.00113583 0.00348169 11
3030 10 C 38.0162 3.22905 29.4181 -0.000286389 0.000521973 -0.00474696 11
3031 11 C 37.7752 3.37224 30.8179 0.000381773 -0.00450687 -0.00167682 11
3032 12 C 36.4389 3.43291 31.2861 0.00204949 0.00221734 0.000913079 11
3033 13 C 40.9861 -0.10897 31.4114 -0.00290907 0.00195964 0.0002311 11
3034 14 C 41.2233 -0.0744856 30.0113 -0.00169488 0.00364632 0.00468318 11
3035 15 C 40.791 0.981044 29.1969 0.000460895 0.00175694 4.84129e-05 11
3036 16 C 40.0754 2.0305 29.8262 -0.000729967 0.00274834 0.00183518 11
3037 17 C 39.4998 3.22546 29.0485 -0.00256975 -0.0040383 0.000310918 11
3038 18 O 40.1078 0.900493 33.376 0.0022706 0.00110132 -0.00251396 11
3039 19 O 36.1407 3.58454 32.6269 -0.000463499 -0.00302139 -0.00275116 11
3040 20 O 40.308 5.81161 33.2457 -0.000310131 -0.000142481 -0.00165735 11
3041 21 C 40.2819 0.971825 32.0341 -0.0011022 -0.00325856 -0.00330163 11
3042 22 C 39.8363 3.24875 27.6065 -0.00220895 -0.00501542 0.00366848 11
3043 23 C 40.2999 3.2988 26.5091 -0.00125804 -0.00171998 0.000959393 11
3044 24 C 40.9918 3.4148 25.2599 -0.00205243 0.000643488 0.000682891 11
3045 25 C 40.9342 4.57003 24.5064 -0.00184884 0.0010307 0.00252081 11
3046 26 C 41.6751 4.72985 23.3246 0.00115124 0.00211328 0.00437312 11
3047 27 C 42.569 3.69732 22.9159 0.00105114 0.00250924 -0.00273801 11
3048 28 C 42.6477 2.51426 23.691 -0.00375647 0.00590042 -0.00243889 11
3049 29 C 41.837 2.34767 24.8412 0.000743419 0.00493134 0.000376069 11
3050 30 C 43.4055 3.7888 21.7497 -0.00129243 -0.00183589 -0.00423384 11
3051 31 C 43.9181 3.76843 20.6553 0.00213268 -0.00291203 0.0031737 11
3052 32 C 42.7585 0.15577 18.682 0.000520313 -8.06956e-05 -0.000747853 11
3053 33 C 43.0325 0.00182459 17.3333 -0.000762397 -0.000421326 0.000547879 11
3054 34 C 43.6067 1.05843 16.6048 -6.32427e-06 0.00102254 -0.000804169 11
3055 35 C 43.9763 2.22721 17.2772 -0.00251054 0.00134013 0.000763936 11
3056 36 C 43.7196 2.40222 18.6324 -0.00709101 0.000839261 0.000660244 11
3057 37 C 43.0558 1.37614 19.3389 0.00141127 -0.00242887 0.00167427 11
3058 38 C 44.2878 3.67669 19.229 0.00417722 -0.00257527 -0.00339957 11
3059 39 C 48.1805 3.55105 19.1066 0.00103698 -0.00369526 0.00143389 11
3060 40 C 48.3677 3.59706 17.7131 0.00196888 -0.0032334 -0.00355761 11
3061 41 C 47.2471 3.59419 16.8714 -0.00119814 0.000447532 0.000913837 11
3062 42 C 45.9646 3.52906 17.4301 0.00216156 0.000491181 0.00225235 11
3063 43 C 45.7778 3.60541 18.8322 -0.000370846 0.0017191 -0.000720194 11
3064 44 C 46.9028 3.62562 19.6648 -0.00401317 -0.00254588 0.00423348 11
3065 45 C 42.4987 6.83262 17.8988 0.00166715 -0.00140862 -0.00168747 11
3066 46 C 42.6895 6.66674 16.5033 0.000421909 -7.0587e-05 -0.00315371 11
3067 47 C 43.4734 5.58834 16.0318 0.000694181 -1.7708e-05 -0.00266846 11
3068 48 C 43.9324 4.62168 16.9828 -0.000627166 0.00621526 0.00244112 11
3069 49 C 44.679 3.39537 16.6202 0.0041743 -0.00116826 -0.00258408 11
3070 50 C 43.6825 4.78798 18.3462 0.00383286 -0.00257156 -0.00486257 11
3071 51 C 43.0574 5.93138 18.8399 0.0052999 -0.00305563 0.000813522 11
3072 52 O 47.4326 3.75002 15.4991 -0.00222844 -0.00195472 -0.000666544 11
3073 53 O 44.0148 0.85754 15.3059 8.36001e-05 -0.000738204 0.0012596 11
3074 54 O 43.731 5.43764 14.6737 -0.00260539 0.00364571 0.000195096 11
3075 55 C 39.0414 3.31233 31.6806 -0.00450666 -0.00121813 0.00251368 11
3076 56 C 39.8378 2.07027 31.2144 -0.00432158 -0.00160816 -0.00124063 11
3077 57 C 47.2701 2.67759 14.5443 0.00132367 0.00253434 0.000532801 11
3078 58 C 46.3642 3.13709 13.3764 -0.00472963 0.00128671 0.00294383 11
3079 59 C 46.9756 2.6491 12.0335 -0.00210796 -0.00132561 0.00206806 11
3080 60 C 46.1473 3.01352 10.8283 -0.00141275 0.00191785 0.00128013 11
3081 61 C 46.9159 2.65757 9.50151 0.000239824 -0.00329448 -0.000149514 11
3082 62 C 46.2447 3.17062 8.17802 0.0024147 -0.00341848 -0.00159539 11
3083 63 C 47.0626 2.74989 6.94772 -0.00223642 -0.00401898 0.00439229 11
3084 64 C 46.8573 3.62238 5.66569 0.00217554 -0.00196865 0.00041063 11
3085 65 C 45.6258 3.30183 4.84494 0.00141406 -0.000237959 0.00664696 11
3086 66 C 45.9178 2.77525 3.44091 -0.00143277 0.00190401 -0.00283774 11
3087 67 C 46.3139 3.91158 2.44781 -0.000923203 -0.00014519 0.00144171 11
3088 68 C 46.5897 3.37913 1.02777 -0.000397218 -0.00145026 -0.00239134 11
3089 69 F 41.5039 5.8366 22.557 0.000647473 0.00187504 0.00459943 11
3090 70 C 44.2646 -0.486991 14.8238 0.00195083 -0.00279328 8.22167e-05 11
3091 71 C 45.1084 -0.369321 13.5685 0.00109539 -0.00235892 0.00187685 11
3092 72 C 45.3162 -1.83735 13.0635 -0.000823431 -0.00186492 0.00033226 11
3093 73 C 46.0167 -1.98669 11.7183 0.000906363 0.00184684 -0.000384793 11
3094 74 C 45.4987 -1.12377 10.5926 0.00163233 0.0024219 -0.00340426 11
3095 75 C 46.0953 -1.60404 9.24552 -0.00394387 -0.000408067 -0.0015515 11
3096 76 C 45.5131 -0.842227 8.04353 0.00182546 0.00275476 0.00208474 11
3097 77 C 45.9544 -1.38937 6.64944 0.00196539 -0.000499267 0.000358724 11
3098 78 C 45.1695 -0.590985 5.58061 0.00188331 -0.00182395 -0.00201741 11
3099 79 C 45.7669 -0.563207 4.17279 0.000671406 -0.000972446 0.00041212 11
3100 80 C 45.895 -1.94479 3.48886 -0.00244517 0.00264134 0.00346831 11
3101 81 C 46.2257 -1.83412 1.97227 -0.00566154 0.00127578 -0.00027114 11
3102 82 C 42.6513 5.11121 13.7799 -0.00324992 -0.002262 -0.00153596 11
3103 83 C 43.2991 5.11205 12.4158 0.00248673 -0.00463052 0.00312134 11
3104 84 C 42.3357 4.9434 11.2079 -0.000358246 -0.00357787 0.00416244 11
3105 85 C 43.127 5.19337 9.90183 -0.00445349 0.00338404 0.00114698 11
3106 86 C 42.3177 5.06318 8.60085 -0.00220381 -9.51304e-05 -0.00172852 11
3107 87 C 41.8951 6.44076 8.07362 -0.00246151 0.00526284 -0.00128421 11
3108 88 C 41.3731 6.34612 6.62713 0.00505626 -0.00277128 -0.00214364 11
3109 89 C 42.4609 6.29135 5.54768 0.000928358 0.000848188 0.000198824 11
3110 90 C 41.9364 6.37144 4.12355 -0.000563292 0.000725828 -0.00115258 11
3111 91 C 43.1181 6.37825 3.10123 -0.00116709 -0.00482485 0.00201218 11
3112 92 C 42.6778 6.3808 1.61573 0.00263022 0.00167063 -0.000401441 11
3113 93 C 42.1476 5.04451 1.16865 0.00339441 0.0022048 -0.00155421 11
3114 94 C 34.8358 3.36782 33.1606 -0.000354445 -0.00152491 -0.00131715 11
3115 95 C 34.5746 3.89748 34.5907 0.00295615 -0.00210134 0.000893317 11
3116 96 C 33.4853 3.09634 35.3255 -0.00168627 0.00106183 -0.00254487 11
3117 97 C 32.9409 3.65183 36.6622 -0.00031462 -0.00104506 0.00247183 11
3118 98 C 33.8911 3.57793 37.8587 0.00103018 0.00217703 -0.00037333 11
3119 99 C 33.1455 4.02376 39.1316 0.00402733 0.000674934 -0.000337813 11
3120 100 C 34.0181 3.87335 40.3452 -0.00465778 0.00317438 0.00391388 11
3121 101 C 33.1688 3.98569 41.6532 -0.00257207 -0.00312029 0.000801695 11
3122 102 C 33.9529 3.58429 42.8975 -0.002122 -0.000610021 0.00162313 11
3123 103 C 33.1692 3.96861 44.1678 -0.00253058 -0.0049471 0.00131741 11
3124 104 C 33.9 3.49838 45.4329 -0.00076443 -0.00153391 -0.00304933 11
3125 105 C 33.1004 3.86522 46.7224 -0.00232442 0.000293047 -0.00405441 11
3126 106 C 40.8373 7.02933 33.8666 0.000924044 0.00223537 0.000512483 11
3127 107 C 40.7124 7.16227 35.3938 0.000287506 0.000710546 0.000637078 11
3128 108 C 41.2041 8.47919 35.9402 0.00183184 0.000981508 0.000285887 11
3129 109 C 41.1916 8.67156 37.4611 -0.00160493 0.000205987 0.000760359 11
3130 110 C 42.19 7.76411 38.1893 -0.000147686 -0.00165103 -0.00466205 11
3131 111 C 42.3998 8.05384 39.7192 0.000671971 0.00378588 0.00191534 11
3132 112 C 41.0632 7.86601 40.4768 0.00342269 0.00139675 -0.0046966 11
3133 113 C 41.2242 7.84454 42.0248 0.00264905 -0.00277933 0.00267154 11
3134 114 C 42.0053 8.98269 42.6715 0.00102314 -0.00444181 0.00302322 11
3135 115 C 41.774 9.09479 44.1694 0.00284025 -0.000473419 -0.00219991 11
3136 116 C 42.0007 7.79773 44.9895 -0.00168208 0.00581574 -0.000160932 11
3137 117 C 41.9431 8.08356 46.534 -0.000806955 -0.000816959 0.0018637 11
3138 118 C 40.2795 -0.366061 34.0813 -0.00378316 -0.000716674 0.00312949 11
3139 119 C 40.3524 -0.0816544 35.5833 0.00152328 0.00143252 -0.00148657 11
3140 120 C 41.0114 -1.1619 36.4299 0.00660727 0.00723852 0.000536591 11
3141 121 C 41.093 -0.635411 37.8453 0.00262955 -0.00266499 0.00220632 11
3142 122 C 41.5541 -1.62147 38.9312 -0.00160504 -0.00258001 -0.00237485 11
3143 123 C 41.5177 -0.858702 40.2668 -0.00204984 -0.0037411 0.00224959 11
3144 124 C 42.0251 -1.62588 41.5049 -0.00170869 0.00126333 3.46436e-05 11
3145 125 C 41.4907 -0.893296 42.777 0.00654064 0.000782092 -0.000349526 11
3146 126 C 41.8552 -1.51933 44.1288 -0.00282267 -0.000242007 -0.00298977 11
3147 127 C 41.0321 -0.873932 45.2695 0.00230561 -0.00239828 -0.000977333 11
3148 128 C 41.4767 -1.2819 46.6744 0.00247947 0.00316552 -0.00125898 11
3149 129 C 40.6432 -0.57517 47.7711 -0.00138688 -0.000397267 -0.0019891 11
3150 130 F 40.1209 5.59104 24.9092 0.00176852 0.000978715 -0.00347757 11
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3152 132 H 41.6075 7.44634 29.1945 -0.0124168 -0.00290207 -0.0129419 11
3153 133 H 40.6807 5.61925 27.9779 0.00195358 -0.00330028 0.00351531 11
3154 134 H 34.3716 3.45647 30.5801 0.00170374 0.00203394 0.00400382 11
3155 135 H 34.8497 3.33285 28.2538 -0.00402127 0.00376346 0.00748446 11
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3159 139 H 41.0026 0.993475 28.1318 0.0029285 -0.0162604 0.000347346 11
3160 140 H 43.3637 1.73608 23.4439 -0.0186215 -0.0111786 0.00824294 11
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3165 145 H 49.037 3.50759 19.7729 -0.000950645 0.00224904 0.00437273 11
3166 146 H 49.3925 3.62048 17.3543 0.00738036 -0.010051 0.0113158 11
3167 147 H 46.7131 3.66325 20.7335 0.0114699 0.00408828 0.00670449 11
3168 148 H 41.9117 7.67346 18.2563 0.00685656 0.00758093 -0.0142992 11
3169 149 H 42.3008 7.44224 15.8499 -0.00389015 0.00646381 0.00712969 11
3170 150 H 44.8524 3.23973 15.5482 -0.00444085 -0.00852751 -0.00290675 11
3171 151 H 42.9619 6.11053 19.9068 0.0116467 0.0104336 -0.00087824 11
3172 152 H 38.8595 3.29297 32.7622 0.00745664 0.00522109 0.00464899 11
3173 153 H 48.2634 2.45696 14.1342 0.00113554 0.00111264 0.000850671 11
3174 154 H 46.7829 1.79666 14.9802 -0.0112681 0.0147896 0.011286 11
3175 155 H 46.2237 4.22502 13.369 -0.00905065 0.000726684 0.0015048 11
3176 156 H 45.336 2.7663 13.4698 -0.00542175 -0.00149905 -0.0156183 11
3177 157 H 47.0469 1.55449 12.0463 0.0116654 -0.000438548 0.00072601 11
3178 158 H 47.9896 3.05802 11.9438 -0.00162366 -0.00232382 0.00297636 11
3179 159 H 45.9346 4.08939 10.8022 0.0135167 0.00501953 0.00827659 11
3180 160 H 45.1637 2.52778 10.8309 0.00469181 -0.0104481 -0.00244405 11
3181 161 H 47.0761 1.57246 9.48441 0.0112635 -0.00157312 -0.00580829 11
3182 162 H 47.9084 3.12143 9.55902 -0.0012877 0.00148744 -0.01243 11
3183 163 H 46.1041 4.25807 8.2109 0.0190834 -0.00140162 0.0024399 11
3184 164 H 45.2411 2.74429 8.05733 0.00432942 -0.0110997 0.00966012 11
3185 165 H 46.9358 1.69387 6.67908 0.00585559 -0.00401376 0.000501486 11
3186 166 H 48.1256 2.8795 7.18536 -0.000841397 0.000652997 -0.0043371 11
3187 167 H 47.7132 3.51639 4.98775 -0.0018712 0.00894457 -0.00641738 11
3188 168 H 46.8024 4.66968 5.98751 0.0232866 0.00148143 -0.00725337 11
3189 169 H 44.9782 4.18196 4.74851 0.00735086 0.00293713 -0.00434636 11
3190 170 H 45.0675 2.53205 5.39189 -0.00460068 0.00319737 0.00532607 11
3191 171 H 45.0058 2.31601 3.03983 0.0053999 -0.017 0.00327932 11
3192 172 H 46.6442 1.95456 3.48699 -0.0117706 -0.00608336 0.0185948 11
3193 173 H 47.2354 4.36 2.83917 0.00116612 -0.0148711 0.0134647 11
3194 174 H 45.5673 4.71496 2.42585 0.00233996 0.00271048 -0.00508748 11
3195 175 H 45.7559 2.76802 0.660693 -0.00189007 -0.000171338 -0.00112935 11
3196 176 H 47.5067 2.77742 1.0047 0.00457144 0.00591163 0.00301165 11
3197 177 H 46.7055 4.21074 0.32176 0.00124683 0.00265894 0.00272555 11
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3199 179 H 43.3548 -1.04893 14.5789 -0.000371662 0.00748375 -0.0149694 11
3200 180 H 44.6209 0.206024 12.7718 0.0133924 0.0121313 0.00483303 11
3201 181 H 46.0628 0.127307 13.7829 -0.00584619 0.00472173 0.0162409 11
3202 182 H 45.8558 -2.41207 13.8263 -0.00184886 -0.00667552 -0.00257136 11
3203 183 H 44.3316 -2.31455 12.9851 0.0010549 -0.00582297 0.00082422 11
3204 184 H 47.1115 -1.91885 11.7354 0.000114087 0.0145733 -9.47912e-05 11
3205 185 H 45.8193 -3.01563 11.3932 0.0065547 0.00290135 -0.00717463 11
3206 186 H 44.405 -1.18901 10.5378 0.00157507 -0.00306336 0.00449067 11
3207 187 H 45.6983 -0.0596346 10.7692 -0.00430467 0.00328594 -0.0018393 11
3208 188 H 47.1885 -1.51548 9.26557 -0.00392451 -0.00493863 0.0174552 11
3209 189 H 45.7927 -2.65648 9.18062 -0.0117042 0.00227956 -0.00895562 11
3210 190 H 44.4193 -0.926624 8.04208 0.00265264 -0.00798651 -0.00446614 11
3211 191 H 45.7582 0.224265 8.12038 -0.0149303 0.00689587 -0.00189208 11
3212 192 H 47.0168 -1.15687 6.50593 0.00128967 0.00364811 0.00205003 11
3213 193 H 45.8172 -2.46461 6.48076 -0.0145818 0.00219079 -0.00332059 11
3214 194 H 44.1226 -0.917258 5.54814 0.0051066 -0.0124092 0.000583297 11
3215 195 H 45.1393 0.453413 5.91487 0.00454868 -0.0024534 0.000193202 11
3216 196 H 45.1667 0.127887 3.56826 -0.00185065 -0.00290776 0.000708712 11
3217 197 H 46.7773 -0.13959 4.2289 0.000225313 0.000645987 -0.00376857 11
3218 198 H 46.7041 -2.47102 4.01031 0.00151832 0.00384854 -0.00146912 11
3219 199 H 44.9743 -2.51458 3.66499 0.000791341 -0.00482976 -0.00384382 11
3220 200 H 47.1408 -1.25325 1.80355 -0.00176747 -0.00250896 0.00780546 11
3221 201 H 46.4104 -2.81507 1.51727 -0.0104587 0.000273105 -4.56321e-05 11
3222 202 H 45.3906 -1.361 1.44107 -0.0094595 0.00167644 0.00604671 11
3223 203 H 42.3457 4.08848 14.0329 0.00253817 -0.00354554 0.000342014 11
3224 204 H 41.8435 5.85335 13.7699 -0.00623471 -0.00574768 -0.0225777 11
3225 205 H 43.8005 6.07627 12.2666 -0.00078619 -0.00338494 0.000128202 11
3226 206 H 44.0497 4.31253 12.3877 0.0109469 0.00348614 -0.00160742 11
3227 207 H 41.9202 3.93066 11.2793 -0.0034127 -0.0027416 -0.00197047 11
3228 208 H 41.4773 5.62298 11.2763 -0.00598553 -0.0111763 0.00923949 11
3229 209 H 43.6432 6.16122 9.91801 0.00531365 -0.0017752 -0.00146396 11
3230 210 H 43.9111 4.436 9.77901 -0.0108473 -0.00144101 -0.0101841 11
3231 211 H 42.9284 4.57997 7.82821 -0.0163832 -0.00822446 -0.00786498 11
3232 212 H 41.4152 4.45106 8.71998 0.00639004 -0.0139646 -0.00776369 11
3233 213 H 41.1511 6.86342 8.76003 -0.00847684 -0.00724384 -0.000102347 11
3234 214 H 42.7488 7.12809 8.02577 -0.00547437 0.00942421 0.00497248 11
3235 215 H 40.726 5.46549 6.53138 0.00971781 -0.005666 -0.00705783 11
3236 216 H 40.7989 7.26477 6.45444 0.00346504 -0.00302058 0.00180528 11
3237 217 H 43.1704 7.11722 5.68204 0.002603 -0.000288322 -0.00163997 11
3238 218 H 43.0239 5.35431 5.63981 -0.00672824 -0.00300672 0.00777635 11
3239 219 H 41.2896 5.4969 3.98147 -0.00447926 0.00381115 -0.0022933 11
3240 220 H 41.3206 7.27795 4.07386 -0.00484721 -0.00306881 -0.0166856 11
3241 221 H 43.7187 7.28467 3.24643 0.00679491 -0.00810682 -0.0103763 11
3242 222 H 43.7482 5.49436 3.25974 0.0150789 0.00785654 0.00799938 11
3243 223 H 41.9451 7.1863 1.48204 0.00748983 0.00685881 0.004112 11
3244 224 H 43.5271 6.69822 0.998219 0.0047581 0.0108259 0.00719701 11
3245 225 H 41.925 5.05108 0.0944826 -0.0108245 -0.00556694 0.00136661 11
3246 226 H 42.9353 4.28624 1.25802 -0.0166518 -0.0176775 0.00637451 11
3247 227 H 41.2679 4.73446 1.74602 -0.00730691 0.0258709 -0.00517889 11
3248 228 H 34.092 3.88553 32.5423 -0.00621712 -0.00563638 0.00229699 11
3249 229 H 34.6881 2.2817 33.1166 0.0151056 -0.00393372 0.00568668 11
3250 230 H 35.4723 3.99807 35.2132 0.00790587 0.00609356 -0.00754607 11
3251 231 H 34.2538 4.93979 34.4721 -0.00848727 -0.0051694 0.00497236 11
3252 232 H 32.6355 2.96426 34.6444 0.00343703 0.0118942 -0.0110363 11
3253 233 H 33.9208 2.10963 35.5258 -0.000620448 0.00581123 0.0185674 11
3254 234 H 32.6206 4.69317 36.5339 0.0046367 0.00182925 0.0134466 11
3255 235 H 32.0352 3.07902 36.8969 0.000546911 -0.00494045 -0.00368003 11
3256 236 H 34.1911 2.5369 38.0308 0.00834659 0.00309645 -0.0076824 11
3257 237 H 34.7729 4.21971 37.741 0.00169655 0.000744092 -0.00313955 11
3258 238 H 32.743 5.04096 39.0499 -0.00554102 -0.00316314 -0.00103857 11
3259 239 H 32.3045 3.33656 39.2857 -0.00137175 0.00580674 -0.00701333 11
3260 240 H 34.6261 2.96225 40.2845 -0.00263369 0.00416011 0.00935348 11
3261 241 H 34.8164 4.62486 40.3826 -0.00508373 0.0029734 0.0176904 11
3262 242 H 32.7592 4.99579 41.7771 0.000547311 -0.00204805 0.00233148 11
3263 243 H 32.2678 3.37276 41.5267 -0.000732784 -0.00674467 0.00539011 11
3264 244 H 34.1999 2.51627 42.8556 -0.00448171 -0.00101871 -0.00185056 11
3265 245 H 34.9043 4.13043 42.9093 -0.00833678 0.0104107 -0.00668003 11
3266 246 H 33.0983 5.06188 44.2237 -0.00167363 -0.00533824 0.0101553 11
3267 247 H 32.1748 3.51847 44.0585 -0.00425544 -0.00106578 0.00105909 11
3268 248 H 33.9866 2.40569 45.3889 -0.00474301 -0.00182829 -0.00363651 11
3269 249 H 34.9021 3.93711 45.5147 -0.00101906 -0.000627126 -0.00482015 11
3270 250 H 33.7072 3.572 47.5879 0.00172846 -0.00622972 -0.00909671 11
3271 251 H 32.8872 4.93953 46.7841 0.00660599 0.00165769 0.002955 11
3272 252 H 32.1381 3.33891 46.7026 0.00225563 -0.00805821 -0.00454249 11
3273 253 H 41.8954 7.17663 33.6171 0.0017644 -0.00321375 0.000891939 11
3274 254 H 40.3113 7.89055 33.4365 0.00113904 0.00488333 0.00554307 11
3275 255 H 39.654 7.00397 35.635 0.00163321 -0.000535539 0.00572653 11
3276 256 H 41.2598 6.34492 35.8793 0.00608908 0.00404608 -0.000309977 11
3277 257 H 42.2334 8.69804 35.6302 0.00788049 -0.00400222 0.0168399 11
3278 258 H 40.6653 9.29765 35.447 -0.00447646 -0.00800964 -0.0077162 11
3279 259 H 41.4741 9.70061 37.7153 0.0169667 -0.00421407 -0.00192848 11
3280 260 H 40.1687 8.4888 37.8129 0.00216998 0.000503299 0.011857 11
3281 261 H 41.9124 6.70866 38.078 -0.0044873 -0.000832859 -0.00161059 11
3282 262 H 43.1402 7.93016 37.6667 0.00657064 0.0149245 0.0127983 11
3283 263 H 43.145 7.36817 40.1409 0.00851022 0.00949256 -0.00266602 11
3284 264 H 42.7881 9.06884 39.8687 -0.00380642 0.00462246 0.00785979 11
3285 265 H 40.4344 8.72333 40.2067 0.00367362 0.00412722 0.00338585 11
3286 266 H 40.5495 6.96273 40.1252 0.00571436 -0.000798284 -0.00239029 11
3287 267 H 40.2065 7.90446 42.4299 0.00553006 -0.0102625 0.0109921 11
3288 268 H 41.6536 6.8916 42.3579 0.00632652 -0.00575382 -0.0106187 11
3289 269 H 43.0578 8.71436 42.5181 -0.00107264 -0.00619932 -0.00823235 11
3290 270 H 41.7735 9.9337 42.1763 -0.0033692 -0.00495911 0.00407965 11
3291 271 H 42.4453 9.90884 44.4694 0.00271715 0.00670055 -0.0212226 11
3292 272 H 40.773 9.5029 44.3559 -0.00334475 -0.0111323 -0.0122079 11
3293 273 H 41.229 7.10378 44.6342 0.0149635 -0.0164638 0.00740045 11
3294 274 H 42.9904 7.37195 44.7832 -0.00817596 -0.0153575 0.0123231 11
3295 275 H 41.0195 8.59144 46.838 -0.000939475 0.00447627 -0.00741146 11
3296 276 H 41.9394 7.13298 47.0816 -0.00975592 0.00381636 0.00985351 11
3297 277 H 42.832 8.63055 46.8719 0.00364854 -0.0105309 0.00590779 11
3298 278 H 39.4579 -1.05557 33.851 -0.0130815 0.0121902 -0.00230839 11
3299 279 H 41.217 -0.893113 33.8653 -0.00264439 0.00232166 0.000670499 11
3300 280 H 39.3428 0.103158 35.9706 -0.00225557 -0.00485225 -0.00830933 11
3301 281 H 40.9141 0.84682 35.7437 -0.00484516 0.00367728 0.00786313 11
3302 282 H 41.9906 -1.44108 36.0215 0.00357152 -0.010556 0.00539055 11
3303 283 H 40.4222 -2.08714 36.4448 0.00753987 0.00646845 -0.0100733 11
3304 284 H 40.093 -0.237323 38.0571 0.00214435 -0.0112632 0.0158566 11
3305 285 H 41.7924 0.20967 37.8506 -0.00941051 0.00736881 -0.0108275 11
3306 286 H 42.553 -2.0133 38.7033 -0.00197168 -0.00502013 0.000202398 11
3307 287 H 40.9079 -2.50799 38.9329 -0.00619436 0.0008022 0.00657559 11
3308 288 H 40.4909 -0.597481 40.5511 0.00273102 0.0103604 0.00659066 11
3309 289 H 42.0912 0.0706591 40.163 -0.0172414 0.00608957 0.00648384 11
3310 290 H 43.1197 -1.69855 41.5077 -0.00227594 -0.00709441 0.00827859 11
3311 291 H 41.7022 -2.67428 41.5104 0.016944 -0.00454185 -0.00668125 11
3312 292 H 40.3979 -0.805761 42.7373 0.00702473 0.00581227 -0.00251753 11
3313 293 H 41.9033 0.123136 42.7696 0.00987541 -0.000619732 -0.00754973 11
3314 294 H 42.9311 -1.34547 44.2531 -0.0042467 0.0026283 0.00518562 11
3315 295 H 41.723 -2.60674 44.0697 -0.00438293 -8.49368e-05 -0.00235957 11
3316 296 H 39.9874 -1.19292 45.1675 -0.00027413 0.00411245 0.00515613 11
3317 297 H 41.0781 0.215482 45.1492 0.0159186 -0.00182214 0.00945407 11
3318 298 H 42.5343 -1.00114 46.7521 -0.00167915 0.0215622 -0.0106917 11
3319 299 H 41.3916 -2.37267 46.7543 -0.00806613 0.00383313 -0.00332463 11
3320 300 H 40.9827 -0.79197 48.7914 -0.000873491 -0.0099373 -0.00418869 11
3321 301 H 39.5816 -0.836716 47.6814 -0.00276668 0.00137626 0.00922316 11
3322 302 H 40.7843 0.497545 47.5901 0.000777898 -0.000800703 -0.0027114 11
3323 1 C 44.9006 13.4234 31.1621 0.000362378 9.80608e-05 0.00277234 12
3324 2 C 45.0689 13.3181 29.7824 -0.00150904 -0.00136675 7.37375e-05 12
3325 3 C 44.5203 12.2413 29.0949 0.000776925 -0.00241965 -0.000681199 12
3326 4 C 43.852 11.2228 29.8034 -0.000498205 0.000975175 -0.00260957 12
3327 5 C 43.785 11.2346 31.2383 0.00266677 -0.00072239 -0.00170021 12
3328 6 C 44.262 12.4079 31.9244 0.00197384 0.000307685 0.00148914 12
3329 7 C 39.2709 10.1974 30.7894 -0.000643855 -0.00435088 -0.00465203 12
3330 8 C 39.3654 10.0503 29.3883 0.000876616 -0.0012244 0.00112359 12
3331 9 C 40.6381 10.0087 28.8408 0.00147907 0.00178221 0.000293904 12
3332 10 C 41.7648 10.0049 29.6609 -0.00453195 0.00268217 0.00143704 12
3333 11 C 41.6358 10.0392 31.0608 -0.000282533 -0.00268679 -0.00110067 12
3334 12 C 40.3682 10.2334 31.632 0.00200708 0.005325 -0.00620625 12
3335 13 C 44.8589 6.59725 31.2352 -0.00129325 0.000137664 -0.00104815 12
3336 14 C 44.9682 6.67142 29.8348 0.000430601 -0.00066376 -0.00323594 12
3337 15 C 44.4934 7.75169 29.1164 -0.00145119 0.00122711 0.0015521 12
3338 16 C 43.865 8.79346 29.822 -0.000589952 -0.000716923 0.00131285 12
3339 17 C 43.1836 9.99548 29.1729 0.000307953 0.000701519 -0.00412355 12
3340 18 O 44.1932 7.50928 33.3411 0.000549281 -0.00240418 0.00096535 12
3341 19 O 40.2672 10.3178 32.9967 0.00187396 0.00139598 0.00079154 12
3342 20 O 44.1689 12.5927 33.3125 -0.000470281 0.00349968 -0.00145747 12
3343 21 C 44.3143 7.65625 31.9624 -0.00138208 0.0011749 -0.000706491 12
3344 22 C 43.3858 10.0878 27.7115 -0.00544542 0.00221744 0.000376795 12
3345 23 C 43.853 10.1838 26.6037 -0.00271184 0.00366212 -0.000199514 12
3346 24 C 44.7197 10.3072 25.4713 0.00773561 0.00162158 0.000151255 12
3347 25 C 44.9663 11.5057 24.7881 0.000667804 -0.000658735 -0.00461206 12
3348 26 C 45.9078 11.5779 23.76 0.000610595 -0.00418066 0.00117888 12
3349 27 C 46.5991 10.4455 23.3566 -0.00110999 -0.00243528 0.00101194 12
3350 28 C 46.404 9.25353 24.0373 -0.00220775 0.000920205 0.00151497 12
3351 29 C 45.4405 9.18948 25.076 0.00129681 -0.000276678 0.00184008 12
3352 30 C 47.38 10.4178 22.1461 0.00310376 -0.00107384 -0.00164509 12
3353 31 C 47.9033 10.4011 21.0546 0.000408983 0.000389555 -0.00166204 12
3354 32 C 46.3464 7.10071 18.7698 0.00237052 0.000400845 -0.0012411 12
3355 33 C 46.5735 7.08881 17.3594 -0.00045778 0.000720832 0.00024427 12
3356 34 C 47.3088 8.10014 16.732 -0.00520811 -0.00312115 0.000197041 12
3357 35 C 47.7953 9.1726 17.4799 0.00537289 -0.00265799 -0.00247547 12
3358 36 C 47.5726 9.2061 18.9004 -0.00138471 -0.00223196 -0.00362541 12
3359 37 C 46.8729 8.16231 19.5374 -0.00319916 0.000887733 0.000739836 12
3360 38 C 48.2302 10.3812 19.6308 0.00113376 0.00208117 0.00377319 12
3361 39 C 52.0901 10.2128 19.5635 -0.00149394 -0.0022967 -0.000338254 12
3362 40 C 52.3104 10.2111 18.1557 -0.000429311 -0.000888621 -0.00196221 12
3363 41 C 51.1939 10.2294 17.3163 0.000359562 0.000507365 0.00495736 12
3364 42 C 49.9158 10.2828 17.8346 -0.00135627 -0.00237136 -0.00114191 12
3365 43 C 49.7183 10.3029 19.2293 0.00295696 -0.00068847 -0.00103003 12
3366 44 C 50.8045 10.2573 20.1222 0.00386084 -7.4637e-05 0.00295844 12
3367 45 C 46.437 13.7047 18.7165 -0.00287301 -0.00660843 -0.000880778 12
3368 46 C 46.7563 13.7626 17.3489 0.00410068 0.00196038 0.000537822 12
3369 47 C 47.4858 12.7292 16.731 -0.00172852 0.0022594 -0.00145675 12
3370 48 C 47.9307 11.6584 17.4944 0.00105454 0.000596159 -0.00149812 12
3371 49 C 48.6219 10.3834 16.999 -0.00278391 0.00267916 -0.00207873 12
3372 50 C 47.6935 11.6307 18.8889 0.000857143 0.00210217 -0.00326297 12
3373 51 C 46.9752 12.6903 19.4887 -0.00102356 -0.000778852 0.00238592 12
3374 52 O 51.3308 10.3269 15.9494 -0.0033224 0.00430292 0.00075762 12
3375 53 O 47.4694 8.14195 15.3504 0.0013102 0.00204776 0.00392383 12
3376 54 O 47.5961 12.7102 15.3651 0.00397305 0.0041697 0.00408407 12
3377 55 C 43.0178 9.98868 31.823 -0.00220293 -0.00182343 0.000131961 12
3378 56 C 43.7776 8.74358 31.2293 0.00257595 -0.001238 -0.00278858 12
3379 57 C 52.3813 9.6646 15.2058 0.000549598 0.00238383 6.31717e-05 12
3380 58 C 51.9677 9.44418 13.7442 -0.00139073 0.000401925 0.00531067 12
3381 59 C 50.4712 9.79309 13.4299 -0.00316271 -0.000485884 0.000718872 12
3382 60 C 49.9653 9.41063 12.0322 -0.000773226 0.00126099 0.00416251 12
3383 61 C 50.6543 10.006 10.8285 -0.00286928 0.00560074 0.00123553 12
3384 62 C 49.9743 9.44917 9.53693 0.00290935 0.00195069 -0.00042167 12
3385 63 C 50.6571 9.91129 8.22363 0.00185602 -0.0022899 0.00325421 12
3386 64 C 50.0005 9.3055 6.97508 0.0010326 -0.00142474 -0.00296708 12
3387 65 C 50.7258 9.66966 5.69335 0.00106268 0.000516699 0.00381848 12
3388 66 C 49.8781 9.42731 4.41703 -0.00278415 -0.00071684 -0.000560193 12
3389 67 C 50.7388 9.66788 3.14713 0.00176455 -0.00147044 0.00389762 12
3390 68 C 49.8764 9.65759 1.84306 -0.00111609 0.000853055 0.00100913 12
3391 69 F 46.0482 12.7488 23.1437 -0.000622409 0.000789677 -0.000794801 12
3392 70 C 47.1001 7.06436 14.4805 0.00270572 -0.00042539 0.00147411 12
3393 71 C 47.5659 7.42213 13.0348 0.00376251 0.00264866 0.000696527 12
3394 72 C 46.9218 6.70852 11.8363 0.00218862 0.000831017 -0.00121642 12
3395 73 C 47.3164 7.43334 10.5521 -0.000163977 0.00249907 -0.00139718 12
3396 74 C 46.3279 7.09968 9.43198 0.00236035 -0.00125491 -0.00327958 12
3397 75 C 46.8215 7.41112 8.02745 0.00293328 -0.00179637 -0.00245531 12
3398 76 C 45.7057 7.13677 6.99097 -0.00176842 -0.00148097 0.00417715 12
3399 77 C 46.1474 7.14993 5.51149 0.00158596 0.00130357 0.00159538 12
3400 78 C 46.2898 8.59419 4.95491 0.00090355 0.00448592 -0.000569259 12
3401 79 C 46.146 8.80463 3.41993 -0.00276969 -0.00487336 0.000804628 12
3402 80 C 46.6727 7.60489 2.58348 0.00110204 -0.00233444 0.00117943 12
3403 81 C 46.5701 7.88379 1.06569 -0.00672191 0.0037346 -0.00354077 12
3404 82 C 48.7828 13.0281 14.6437 -6.97953e-05 0.00527718 -0.0016494 12
3405 83 C 48.5098 13.0058 13.0673 -0.00331962 0.00629477 0.00683494 12
3406 84 C 49.6512 13.3452 12.1186 -0.00390661 0.000427196 0.000192518 12
3407 85 C 49.2501 13.4672 10.6371 -0.000152467 -0.000165733 -0.00173278 12
3408 86 C 50.4049 14.0203 9.74491 0.00116716 -0.00176984 0.00385246 12
3409 87 C 49.9965 14.5342 8.34417 -0.000538924 0.00289993 0.00105145 12
3410 88 C 50.158 13.5586 7.16708 0.000815615 0.00159823 -0.00142728 12
3411 89 C 50.0128 14.2429 5.81394 -0.00057983 0.00107094 0.00153975 12
3412 90 C 50.2608 13.3195 4.62761 0.000865565 -0.00140314 -0.0042952 12
3413 91 C 50.254 14.1262 3.29621 0.0018619 -0.00436852 0.00235947 12
3414 92 C 50.6087 13.257 2.07899 0.000163954 -0.000449856 0.000727432 12
3415 93 C 50.2848 13.9481 0.730721 -0.000566676 0.00297566 0.00215029 12
3416 94 C 39.1691 10.9366 33.6813 -0.000311847 0.00364321 -0.00205846 12
3417 95 C 38.1196 9.88179 34.0803 -0.00161797 -0.00265218 -0.000699167 12
3418 96 C 37.3426 10.2471 35.3528 -2.96203e-06 0.00178037 -0.000929629 12
3419 97 C 38.1369 10.0777 36.6678 -0.000209726 9.01315e-05 -0.00172155 12
3420 98 C 37.5507 10.8303 37.8308 0.00305999 -0.00345754 0.00279072 12
3421 99 C 37.7958 10.1016 39.1713 0.00245119 -0.00356759 0.000836378 12
3422 100 C 37.4387 10.9983 40.3437 0.00345262 0.000775412 0.000106487 12
3423 101 C 37.69 10.2765 41.6893 0.00463922 0.00267506 -0.000103922 12
3424 102 C 37.3893 11.1392 42.9251 0.000791498 0.00146741 0.000771708 12
3425 103 C 37.5676 10.362 44.2298 0.000118389 0.000579412 8.29551e-05 12
3426 104 C 37.3686 11.291 45.486 0.00595361 -0.00373628 0.00369834 12
3427 105 C 37.6428 10.5237 46.8114 8.70466e-05 -0.0022608 0.00036136 12
3428 106 C 45.0565 13.5187 34.0055 0.00493357 0.000476293 0.00163648 12
3429 107 C 44.6993 13.706 35.5114 -0.00218576 -0.00440495 -0.000669741 12
3430 108 C 45.7618 14.5883 36.2196 -0.00320348 -0.00032116 0.000534643 12
3431 109 C 46.1991 14.2111 37.6594 -0.00176341 -0.00131243 -0.0045702 12
3432 110 C 45.2391 14.7121 38.7273 -0.00050214 -0.000726672 -0.00295335 12
3433 111 C 45.6733 14.4092 40.1517 0.00245767 0.00246356 0.00167315 12
3434 112 C 44.6711 14.9973 41.1518 0.00328551 0.00243527 -0.00162315 12
3435 113 C 45.226 15.1067 42.5967 -0.00112709 0.00247232 0.000678808 12
3436 114 C 45.432 13.7209 43.2464 0.000628043 0.00538215 0.000218351 12
3437 115 C 44.9624 13.6707 44.6949 0.000397463 -0.00254093 0.00371056 12
3438 116 C 45.9785 14.2483 45.7512 0.00131066 -0.00433452 0.00603822 12
3439 117 C 45.9728 15.7956 45.7823 -0.00240617 0.000255259 -0.00265256 12
3440 118 C 45.0566 6.62381 34.0975 0.000580072 -0.000343902 0.004573 12
3441 119 C 44.6531 6.54815 35.59 -0.00197684 0.000908709 0.00043302 12
3442 120 C 45.2327 5.30753 36.3123 0.000126631 0.000925736 0.00289291 12
3443 121 C 45.0758 5.52726 37.8151 0.000762803 0.0048814 -0.00149814 12
3444 122 C 45.4986 4.34615 38.6844 -0.000371195 0.000367892 -0.00197868 12
3445 123 C 46.4053 4.76995 39.8465 0.00233495 -0.000167786 0.00564932 12
3446 124 C 45.8464 5.67373 40.9093 0.00133436 0.000537026 0.00120512 12
3447 125 C 44.7346 5.04547 41.7666 0.00079562 -0.00272762 0.000161586 12
3448 126 C 44.3457 5.91088 42.9716 0.00101902 0.00146842 -0.00513949 12
3449 127 C 45.4671 5.97575 44.0587 0.000805583 0.00157526 0.00303206 12
3450 128 C 45.3766 4.81638 45.1053 -8.07786e-05 0.00512943 -0.00080311 12
3451 129 C 44.499 5.27796 46.2809 0.00123365 -0.0031988 -0.0020769 12
3452 130 F 44.4368 12.6786 25.215 -0.000847469 -0.000199368 -0.00147363 12
3453 131 H 45.31 14.34 31.5766 -0.00380216 -0.000539929 0.0082627 12
3454 132 H 45.5389 14.1416 29.253 0.00156981 -0.00013789 0.00470827 12
3455 133 H 44.6855 12.2488 28.0216 -0.000317867 0.00787444 -0.000785709 12
3456 134 H 38.2738 10.1284 31.2143 -0.000591454 -0.00202271 -0.00416384 12
3457 135 H 38.4548 9.97806 28.801 -0.00618016 0.0139736 0.0101531 12
3458 136 H 40.7832 9.92556 27.7678 -0.0117758 -0.013995 -0.000257512 12
3459 137 H 45.3592 5.77233 31.7338 0.00865443 0.00507902 -0.00281276 12
3460 138 H 45.4584 5.86537 29.2969 -0.00958932 -0.00546607 -0.00516596 12
3461 139 H 44.4942 7.71695 28.0309 -0.0048826 0.0138443 0.00114475 12
3462 140 H 46.815 8.33773 23.6229 -0.00683981 0.00187419 -0.00522577 12
3463 141 H 45.1688 8.20904 25.4559 -0.01545 0.0011491 -0.00637742 12
3464 142 H 45.8057 6.28196 19.2354 0.00116646 0.00272943 0.00144506 12
3465 143 H 46.1238 6.31029 16.7502 0.00795933 -0.00293595 -0.00128355 12
3466 144 H 46.7127 8.123 20.6108 0.0175146 0.00326753 0.00390459 12
3467 145 H 53.0162 10.2385 20.1302 -0.00151122 -0.0102184 3.32263e-05 12
3468 146 H 53.2969 10.2056 17.7014 0.000537089 -0.00193714 0.000152853 12
3469 147 H 50.6114 10.2141 21.19 0.00313229 0.0139009 0.00337979 12
3470 148 H 45.8234 14.4899 19.148 0.00290617 -0.00534354 0.00501727 12
3471 149 H 46.3533 14.5647 16.7376 -0.00352114 0.00152141 0.00499815 12
3472 150 H 48.7686 10.3928 15.9119 0.00530037 -0.0130287 -0.00111651 12
3473 151 H 46.7606 12.6796 20.5532 -0.00389534 -0.000980094 0.00180498 12
3474 152 H 42.9582 9.95893 32.9179 -0.0118272 0.000292968 -0.000345493 12
3475 153 H 53.2906 10.2779 15.1846 0.00178183 0.000355531 -0.00613736 12
3476 154 H 52.6521 8.70542 15.6641 -0.00404735 0.00252255 0.00305459 12
3477 155 H 51.9954 8.37009 13.5229 0.00295423 0.00240875 -0.0039363 12
3478 156 H 52.6817 9.85381 13.019 -0.00698807 0.00188344 0.000630102 12
3479 157 H 50.36 10.8785 13.5439 -0.00630013 -0.000562724 -0.00162981 12
3480 158 H 49.8028 9.32397 14.1625 -0.00118686 -0.00327786 0.00073102 12
3481 159 H 48.9051 9.6904 11.9981 -0.00265108 -0.00700032 -0.00492832 12
3482 160 H 50.0669 8.31851 12.0134 0.000632596 0.00143293 0.00213031 12
3483 161 H 51.7207 9.75181 10.8657 -0.00412696 0.00124346 0.00761675 12
3484 162 H 50.541 11.0972 10.8257 0.00343564 0.00625636 0.0047058 12
3485 163 H 48.9237 9.7612 9.5846 -0.00233692 -0.0152284 -0.00379538 12
3486 164 H 49.997 8.35243 9.54391 -0.00838234 0.00172726 0.000530217 12
3487 165 H 51.7362 9.71436 8.23944 0.00290966 0.00344073 0.00373738 12
3488 166 H 50.6352 11.0072 8.18071 -9.67778e-06 -0.00169916 0.0191935 12
3489 167 H 48.9769 9.69951 6.9567 0.00144116 0.000455191 0.0130963 12
3490 168 H 49.9132 8.21644 7.07372 0.000805513 -0.00056527 0.00633853 12
3491 169 H 51.6678 9.10974 5.64255 -0.00115754 -0.00266281 -0.0023409 12
3492 170 H 50.9594 10.7354 5.80749 -0.0158246 0.00477315 -0.00131536 12
3493 171 H 48.9996 10.0825 4.36805 -0.00316264 -0.00144179 -0.00354207 12
3494 172 H 49.5379 8.3854 4.46294 0.0102342 -0.00429913 0.0153962 12
3495 173 H 51.525 8.90344 3.11792 0.00053908 -0.0026475 0.00180565 12
3496 174 H 51.2759 10.6226 3.2051 0.00105365 0.000157717 -0.0160851 12
3497 175 H 49.0068 10.3155 1.96273 -0.0142748 -0.0127568 -0.0200577 12
3498 176 H 49.5186 8.6378 1.65474 0.00550961 -0.00254528 0.00676944 12
3499 177 H 50.538 9.99541 1.03583 0.0107678 0.0075479 0.0134939 12
3500 178 H 47.6045 6.13506 14.7727 -0.00709487 -0.00699723 -0.0025515 12
3501 179 H 46.0127 6.91933 14.4809 0.00260436 0.000323044 0.000639398 12
3502 180 H 47.3891 8.49426 12.8841 -0.00334323 -0.000136709 -0.0108219 12
3503 181 H 48.6557 7.29993 13.0076 0.00271116 -0.00293778 -0.0157693 12
3504 182 H 47.1601 5.63894 11.7849 0.00602326 0.00148652 0.00308942 12
3505 183 H 45.8326 6.74375 11.9621 0.00269943 0.0052546 0.00196209 12
3506 184 H 47.395 8.52195 10.6624 0.00556162 0.00195746 -7.20532e-05 12
3507 185 H 48.3118 7.09192 10.2422 -0.000456466 0.00116779 -0.000866624 12
3508 186 H 46.0382 6.04182 9.45273 0.00151869 -0.00103769 -0.00389936 12
3509 187 H 45.4239 7.70251 9.58306 0.00713618 0.00625711 -0.00462115 12
3510 188 H 47.16 8.44792 7.90969 0.00699393 -0.00354941 -0.0062793 12
3511 189 H 47.687 6.76385 7.83917 0.00831088 0.00693371 -0.00773444 12
3512 190 H 45.3152 6.1446 7.24881 -0.00114004 -0.000106485 0.010464 12
3513 191 H 44.8961 7.86197 7.13903 0.00136331 0.00124126 0.00798485 12
3514 192 H 47.1379 6.68269 5.44737 0.00183937 0.00225711 -0.00138129 12
3515 193 H 45.3904 6.621 4.91939 0.00441243 -0.0114316 0.00939597 12
3516 194 H 45.5005 9.18294 5.43837 -0.0103441 0.0037092 -0.0180235 12
3517 195 H 47.2192 9.05595 5.31047 -0.00629204 0.00797203 0.013737 12
3518 196 H 45.1131 9.03975 3.13488 -0.00346836 -0.00138543 0.00622161 12
3519 197 H 46.7201 9.6891 3.11743 -0.0104628 -0.00443075 -0.012538 12
3520 198 H 47.7119 7.39541 2.86537 -0.00316311 -0.0132303 0.00883325 12
3521 199 H 46.1035 6.6989 2.82569 -0.00267811 -0.00543572 -0.0193374 12
3522 200 H 47.0547 7.09556 0.476469 -0.0124887 -0.00012826 -0.00311021 12
3523 201 H 45.5267 7.94463 0.732417 -0.0114195 -0.00807348 0.00901517 12
3524 202 H 47.0824 8.82035 0.813187 0.014239 -0.00260354 0.0154352 12
3525 203 H 49.1364 14.0125 14.9746 0.00681581 0.00285662 -0.00182834 12
3526 204 H 49.525 12.2462 14.8468 -0.00696626 -0.000223176 0.00236583 12
3527 205 H 48.073 12.0453 12.767 -0.00259562 0.0140439 -0.0190335 12
3528 206 H 47.7436 13.7668 12.8744 -0.00567733 0.00369312 0.00593627 12
3529 207 H 50.024 14.3243 12.444 0.0152556 -0.00933069 0.00757974 12
3530 208 H 50.467 12.6272 12.2678 -0.0132758 -0.0110726 -0.00398068 12
3531 209 H 48.9088 12.5034 10.2396 0.000894229 0.000380639 -0.00395937 12
3532 210 H 48.377 14.1212 10.5214 0.00215521 0.00413461 0.00527767 12
3533 211 H 50.8561 14.8535 10.2977 -0.0147313 0.00728804 0.00321873 12
3534 212 H 51.1641 13.2619 9.51751 -0.00462182 -0.00698215 0.00187062 12
3535 213 H 48.9763 14.9369 8.36396 -0.00315325 -0.00364688 -0.000605734 12
3536 214 H 50.6477 15.4 8.172 0.000452918 -0.000626538 -0.0128149 12
3537 215 H 51.1765 13.165 7.27304 0.00249736 0.00616623 -0.000536914 12
3538 216 H 49.4245 12.7436 7.20107 0.00789134 -0.00564898 -0.0219364 12
3539 217 H 49.0192 14.675 5.64218 -0.000176918 -0.00226239 -0.00935753 12
3540 218 H 50.7669 15.0394 5.7982 0.0101315 -0.0093027 -0.0108104 12
3541 219 H 51.256 12.8706 4.73527 0.00448369 0.00851578 0.00360365 12
3542 220 H 49.5534 12.4814 4.60292 0.00682461 -0.00671923 0.00504355 12
3543 221 H 49.3361 14.7079 3.14584 0.00675372 0.000114239 -0.0102976 12
3544 222 H 51.0098 14.9178 3.37094 -0.000738583 -0.00126512 -0.00419033 12
3545 223 H 51.6679 12.9717 2.09293 -0.00343909 -0.0138365 0.00098217 12
3546 224 H 50.0525 12.3137 2.14452 -0.00150742 -0.000265347 -0.0108821 12
3547 225 H 50.8015 14.904 0.580251 -0.00329636 0.00465321 0.00342009 12
3548 226 H 50.564 13.2863 -0.0984809 0.0112982 0.00417439 0.00519295 12
3549 227 H 49.2165 14.1705 0.618299 -0.00250405 -0.00724352 0.000434245 12
3550 228 H 39.603 11.3109 34.6167 -0.0130555 0.0159747 -0.00110857 12
3551 229 H 38.8046 11.7685 33.066 -0.000998037 -0.0048801 -0.013193 12
3552 230 H 37.3732 9.81214 33.2794 0.0102538 -0.00875265 -0.0112148 12
3553 231 H 38.6105 8.90451 34.1661 -0.00636276 -0.00563381 -0.00751516 12
3554 232 H 37.0064 11.2906 35.315 0.0064698 0.00372563 -0.00465798 12
3555 233 H 36.4169 9.66505 35.4408 0.0115764 -0.0157679 0.00470979 12
3556 234 H 38.149 8.98979 36.8079 0.0110987 0.0017045 0.0095237 12
3557 235 H 39.1772 10.42 36.6042 0.00227913 -0.00864647 -0.00788886 12
3558 236 H 38.034 11.8147 37.8589 0.00597292 -0.00519204 0.0134693 12
3559 237 H 36.479 11.0164 37.6888 0.00310016 -0.000986359 0.00571038 12
3560 238 H 37.1956 9.18334 39.1693 0.0087698 -0.0076904 0.000753722 12
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3626 2 C 1.77928 20.1644 29.2395 -0.000192159 0.00108725 0.00301734 13
3627 3 C 1.29581 19.0254 28.6008 -0.00539666 -0.00027281 -0.00439745 13
3628 4 C 0.616737 18.0093 29.313 -0.00437183 -0.00615266 -0.00108158 13
3629 5 C 0.531915 18.1262 30.7157 0.00360122 -0.00408731 -0.00205194 13
3630 6 C 1.0156 19.2959 31.3783 -0.00203921 -0.0030826 -0.000815886 13
3631 7 C -3.90808 16.7653 30.5272 -0.002626 -0.00164636 -0.00340519 13
3632 8 C -3.85679 16.6959 29.1198 0.00177096 0.00339926 -0.000882155 13
3633 9 C -2.62686 16.6772 28.4687 -0.00118511 -0.00173853 -0.00238016 13
3634 10 C -1.47519 16.7787 29.2153 -0.00109502 -0.000936929 -0.00522304 13
3635 11 C -1.53298 16.8381 30.6393 0.000327183 0.00188602 -0.000982522 13
3636 12 C -2.75557 16.8678 31.2995 -0.00173501 -0.0030002 -0.00200417 13
3637 13 C 1.72875 13.496 30.8219 1.06627e-06 -0.000919726 0.000406304 13
3638 14 C 1.80281 13.5459 29.4231 -0.00169799 0.00058693 0.00213809 13
3639 15 C 1.24842 14.5652 28.6792 -0.00181184 -0.00122667 -0.00282438 13
3640 16 C 0.614971 15.6016 29.3659 -0.000830595 -0.00135416 -0.00131604 13
3641 17 C -0.0334138 16.7884 28.674 0.000467233 -0.000744308 0.000946916 13
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3644 20 O 0.824422 19.5286 32.7305 -0.00251372 0.00358345 -0.000539496 13
3645 21 C 1.06797 14.5126 31.5443 -0.000519773 -0.00641642 -0.00221452 13
3646 22 C 0.119747 16.7511 27.187 0.00184566 -0.00120269 -0.000713327 13
3647 23 C 0.584823 16.777 26.0567 -0.00254602 -0.00251224 -0.0028208 13
3648 24 C 1.36856 16.8395 24.9036 0.00325587 0.000674496 0.000357456 13
3649 25 C 2.03501 15.7106 24.4198 -0.00203372 -0.000280192 -0.00412206 13
3650 26 C 3.04595 15.8587 23.4289 0.00419853 -0.00225969 0.00118208 13
3651 27 C 3.31937 17.128 22.8734 0.00298535 -0.000651159 0.000217341 13
3652 28 C 2.57119 18.2466 23.3145 -0.00136201 -0.00142031 -0.000751053 13
3653 29 C 1.55682 18.0724 24.2795 0.00127604 0.00365431 0.000956223 13
3654 30 C 4.12871 17.2285 21.6957 0.00121035 -0.00249659 -0.00429333 13
3655 31 C 4.63062 17.3102 20.5801 -0.0034747 -0.000987444 0.000901982 13
3656 32 C 3.4951 13.7628 18.4766 -0.000240808 -0.00800056 0.00180642 13
3657 33 C 3.80638 13.653 17.0964 -0.00090238 0.00124718 -0.00239346 13
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3659 35 C 4.7385 15.8984 17.1322 0.000154012 0.00200745 0.000143261 13
3660 36 C 4.47497 15.9852 18.5028 -0.00245324 4.08879e-05 -0.00116475 13
3661 37 C 3.88173 14.8917 19.1874 0.00414705 -0.00492609 -0.00157935 13
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3664 40 C 9.03144 17.3832 17.7684 -0.00047574 0.000162617 0.00343577 13
3665 41 C 7.97048 17.3516 16.8364 0.0013461 0.000332061 0.00286538 13
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3667 43 C 6.46988 17.2677 18.8167 -0.00127309 -2.56742e-05 0.00339693 13
3668 44 C 7.55036 17.2423 19.6865 0.00407976 0.00216882 0.00270383 13
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3674 50 C 4.34142 18.3879 18.3776 -0.000738574 -0.00163952 0.00263732 13
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3702 78 C 7.02711 11.1579 4.61061 0.00102794 -0.00229605 -0.00151777 13
3703 79 C 7.21244 11.6623 3.17146 0.000608667 -0.00115302 0.00449746 13
3704 80 C 7.18876 10.5278 2.12066 0.000507839 -0.00476172 -0.00412085 13
3705 81 C 7.48255 10.9511 0.668898 0.000514526 0.00143024 0.000351035 13
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3707 83 C 4.33428 18.1447 12.5519 -0.000637847 -0.00178081 -0.00248206 13
3708 84 C 3.43451 17.5909 11.3969 -0.000435403 -0.000635245 -0.000606865 13
3709 85 C 2.48685 18.6725 10.7706 0.000466773 -0.00178829 -0.00335293 13
3710 86 C 2.90867 19.2952 9.45392 -0.000610674 0.00100123 0.00514314 13
3711 87 C 2.98258 18.2841 8.27592 0.000594517 0.0024505 0.00499305 13
3712 88 C 2.93128 19.0467 6.93069 0.000621987 0.00427177 0.0051595 13
3713 89 C 3.15243 18.1117 5.74286 -0.000120172 0.00102716 0.00717662 13
3714 90 C 2.87328 18.7762 4.40195 0.000481609 -0.00035707 -0.00265246 13
3715 91 C 3.01895 17.7678 3.19076 -0.000404442 -0.000339132 -0.00169785 13
3716 92 C 2.61377 18.4194 1.84597 0.00529886 -0.00297853 0.00265674 13
3717 93 C 3.70382 19.3641 1.35186 -0.00134658 -0.000960583 -0.00301709 13
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3719 95 C -4.99513 17.1879 33.754 -0.00128825 0.000127091 0.00235819 13
3720 96 C -5.77856 16.9774 35.0975 0.00187471 0.00277912 -0.00356756 13
3721 97 C -4.9634 16.8444 36.4175 -0.000708091 -0.00312834 -0.00567224 13
3722 98 C -5.92193 16.8002 37.6484 0.00153729 -0.00207603 0.00442599 13
3723 99 C -5.17445 16.7807 39.0091 0.000920675 -0.00250564 0.000552175 13
3724 100 C -6.15211 16.6352 40.1974 0.00177016 -0.00260753 0.000651199 13
3725 101 C -5.60813 16.9231 41.5971 0.000351209 -0.00178798 9.11642e-05 13
3726 102 C -6.62145 16.5217 42.6845 -0.00284772 0.0028408 -0.00311219 13
3727 103 C -6.33884 17.1357 44.0616 -0.00216758 -0.00124401 0.00135788 13
3728 104 C -4.9364 17.0769 44.6057 -0.00467604 -0.00228931 0.00337873 13
3729 105 C -4.99691 17.4892 46.0947 0.00186106 0.00305044 0.00236265 13
3730 106 C 1.70767 20.5438 33.3464 -0.00146417 -0.00115704 0.00216482 13
3731 107 C 1.62416 20.6238 34.9095 -0.0038071 0.000998288 -0.00279472 13
3732 108 C 2.18871 21.9285 35.482 -0.00047586 -0.000298043 0.00167544 13
3733 109 C 1.78504 22.0932 36.9934 0.000606636 0.000900166 -0.00165872 13
3734 110 C 2.63673 21.4054 38.0843 -0.000689704 -0.00166508 0.00333633 13
3735 111 C 2.16308 21.857 39.5204 0.0052182 -0.00294527 0.000546277 13
3736 112 C 2.88219 21.2074 40.6985 -0.00508342 0.00338863 -0.000291602 13
3737 113 C 2.17969 21.561 42.0192 -1.51973e-05 0.00185345 -0.00276212 13
3738 114 C 2.87243 21.0858 43.3058 0.00185193 0.00280074 -0.00582065 13
3739 115 C 2.17037 21.6036 44.56 -0.00341137 0.000582521 0.00214783 13
3740 116 C 2.73536 21.0658 45.8691 -0.00108543 -0.00271751 0.0013332 13
3741 117 C 2.08146 21.7627 47.0974 -0.00044867 -0.00431092 -0.00410816 13
3742 118 C 1.91006 13.9585 33.8477 -0.000689372 -0.000123374 -0.00239387 13
3743 119 C 1.78122 12.4266 34.0127 0.00626872 -0.00012379 0.00331887 13
3744 120 C 2.32903 11.823 35.3426 -3.96679e-06 -0.00234935 0.00217585 13
3745 121 C 2.06233 12.5874 36.6365 0.000998066 -0.00105204 -0.000584118 13
3746 122 C 2.22702 11.7239 37.9336 -0.000990594 0.000126568 -0.00109383 13
3747 123 C 2.23051 12.5431 39.2387 -0.000784898 -0.000935723 -0.00231414 13
3748 124 C 2.29079 11.7213 40.5016 0.00168714 0.00233491 0.000145955 13
3749 125 C 2.47824 12.64 41.7746 0.00180384 -0.000616242 -0.00157004 13
3750 126 C 2.57699 11.8991 43.1244 -0.00570299 0.000297731 0.000824328 13
3751 127 C 2.77481 12.8804 44.2903 -0.00180743 -0.000876138 0.000902513 13
3752 128 C 3.00261 12.2963 45.7097 -0.00304459 -0.00175789 0.00122443 13
3753 129 C 1.79029 11.5369 46.2687 -0.00619221 0.000217161 -0.00246874 13
3754 130 F 1.83039 14.5099 24.9734 -0.00155138 0.00147973 0.000576312 13
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3762 138 H 2.31591 12.7221 28.9359 0.00973064 1.97663e-05 0.0150719 13
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3928 2 C 5.895 26.7931 29.7927 0.00209521 -0.00303731 0.00106438 14
3929 3 C 5.45843 25.6843 29.0554 -0.000850253 -0.00115344 0.00175683 14
3930 4 C 4.79098 24.653 29.7347 -0.000590471 -0.00310346 -0.00211077 14
3931 5 C 4.49587 24.7598 31.1078 0.00132928 0.00374578 0.00157843 14
3932 6 C 5.03865 25.8304 31.8737 -0.00444267 0.00199798 0.00396075 14
3933 7 C 0.00681606 24.0802 30.319 0.000566276 0.00261378 -0.00295185 14
3934 8 C 0.294725 23.9841 28.9098 0.00386209 -0.00061724 -0.00188767 14
3935 9 C 1.60515 23.7256 28.469 0.00570707 -0.00103736 0.00258088 14
3936 10 C 2.63149 23.6032 29.4351 2.58387e-05 -0.000709723 0.00150838 14
3937 11 C 2.33956 23.6869 30.8295 -0.000772698 5.70893e-05 -0.000617141 14
3938 12 C 0.99555 23.8976 31.271 -0.00183313 -0.000442638 -0.000506822 14
3939 13 C 5.6797 20.2147 31.4409 0.00039458 0.00130093 0.0017963 14
3940 14 C 5.75959 20.1058 30.0657 -0.00174613 -0.00332117 -0.00316386 14
3941 15 C 5.27659 21.1628 29.2543 -0.00332159 0.00230792 0.000460345 14
3942 16 C 4.60484 22.2564 29.817 0.00070169 -0.00111864 0.00464336 14
3943 17 C 4.09983 23.4988 29.079 0.000965202 0.0026587 -0.00271974 14
3944 18 O 4.88716 21.372 33.4115 -0.00359869 0.0014249 -0.00402293 14
3945 19 O 0.666694 23.9793 32.6319 -0.00113127 -0.000185773 -0.000974473 14
3946 20 O 4.805 25.9267 33.2269 -0.000689615 -0.00288424 -0.00206882 14
3947 21 C 4.97315 21.3056 32.0431 0.000233792 -0.00122382 0.00318783 14
3948 22 C 4.448 23.4517 27.6994 -0.00199216 0.00462679 0.00131846 14
3949 23 C 5.03563 23.4511 26.6495 -0.0039013 -0.00348984 0.00148031 14
3950 24 C 5.88438 23.4763 25.5061 -0.00059665 -0.00213122 -0.00125455 14
3951 25 C 7.02482 22.624 25.4128 0.00141759 -0.00127081 0.00431408 14
3952 26 C 7.87369 22.7423 24.3059 -0.00257172 0.000389287 0.00438023 14
3953 27 C 7.5782 23.6783 23.3077 0.00170872 0.00245938 -0.00292667 14
3954 28 C 6.42658 24.5196 23.3872 0.000687557 0.0026898 0.000450233 14
3955 29 C 5.59605 24.3823 24.4799 0.000912996 0.00441056 0.00283878 14
3956 30 C 8.26136 23.7166 22.0987 -0.00227997 7.57827e-05 -0.00030273 14
3957 31 C 8.74005 23.741 20.9882 -0.0025218 -0.0016768 -0.00195293 14
3958 32 C 6.9606 20.6901 18.4368 0.00124546 -2.11383e-05 -0.00299657 14
3959 33 C 7.10353 20.782 17.028 -0.0020783 -0.000803475 0.000613679 14
3960 34 C 7.85155 21.833 16.4849 -0.00127423 -0.000988561 0.00136076 14
3961 35 C 8.41005 22.8078 17.3575 -0.00116999 -0.00169233 -0.00102881 14
3962 36 C 8.26154 22.6996 18.7663 -0.00328022 0.00192085 0.00508332 14
3963 37 C 7.50106 21.6367 19.2824 0.00487824 -0.00100178 0.000820605 14
3964 38 C 8.99562 23.7999 19.5471 0.00160642 0.00216319 -0.000717409 14
3965 39 C 12.8553 23.7312 19.5144 -0.000328345 -0.00152221 0.000376673 14
3966 40 C 13.0733 23.8849 18.1386 -0.000958149 -0.00326938 0.00495346 14
3967 41 C 11.9579 23.9959 17.2574 0.00221915 0.00226293 -0.00289883 14
3968 42 C 10.6527 23.862 17.7613 -0.000500563 -0.000910455 0.00253422 14
3969 43 C 10.4437 23.7585 19.147 0.000618749 0.000563487 0.00171998 14
3970 44 C 11.5507 23.6356 20.0429 -0.00257161 -0.00360129 -0.00356419 14
3971 45 C 7.48105 27.2692 18.9384 0.000558008 0.000807134 0.00326988 14
3972 46 C 7.67332 27.3669 17.5366 -0.00202588 0.00120739 -0.00465894 14
3973 47 C 8.29973 26.3203 16.816 0.00197687 -0.00352338 -0.00381892 14
3974 48 C 8.68784 25.1813 17.5356 0.0040068 0.00428006 0.0028308 14
3975 49 C 9.3559 23.9517 16.9458 0.00268657 0.00403875 -0.00077613 14
3976 50 C 8.49219 25.1086 18.9216 0.00207218 0.00188042 0.000280283 14
3977 51 C 7.9251 26.1579 19.64 -0.000974584 0.00198421 0.00121794 14
3978 52 O 12.1239 24.2445 15.9168 0.00263851 0.00267646 -0.00128832 14
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3980 54 O 8.46061 26.4071 15.4711 -0.000899791 -0.000251864 -6.58636e-05 14
3981 55 C 3.63787 23.5938 31.6761 0.00117173 0.000318922 -0.00346543 14
3982 56 C 4.38413 22.3096 31.2404 -0.00217812 -0.000533652 0.00121385 14
3983 57 C 12.8081 23.2942 15.0948 0.000502031 0.000323668 0.00233049 14
3984 58 C 11.7765 22.5783 14.2249 0.00174911 0.00386744 0.00138307 14
3985 59 C 11.3585 23.3603 12.9537 0.00316189 -2.18887e-06 0.000913069 14
3986 60 C 11.423 22.4432 11.6905 -0.00342024 6.56044e-05 -0.00212649 14
3987 61 C 10.98 23.1701 10.4021 0.0029398 0.00170905 -0.00282257 14
3988 62 C 11.129 22.3204 9.15114 0.00260126 0.0003728 0.00489819 14
3989 63 C 10.6791 23.0803 7.90557 0.000613066 0.00125835 0.000345032 14
3990 64 C 10.8935 22.2362 6.63174 0.0023108 -0.00363747 -0.00126473 14
3991 65 C 10.6728 23.1263 5.37575 0.00236564 0.000662376 0.00380658 14
3992 66 C 10.6236 22.3676 4.05539 -0.00144634 0.00367304 0.00208783 14
3993 67 C 10.7265 23.3371 2.87012 0.00190881 0.00212927 0.00128181 14
3994 68 C 10.6753 22.6444 1.505 -0.00242967 -0.00276913 0.00157686 14
3995 69 F 8.98197 21.9439 24.2526 -0.00337405 0.00173019 0.00356933 14
3996 70 C 7.69754 20.8719 14.2412 -0.00083766 -0.000197337 -0.000915744 14
3997 71 C 8.25995 21.2402 12.8368 0.00102016 -0.000901612 -6.32621e-05 14
3998 72 C 7.15928 21.097 11.7537 -0.000445154 0.00202072 -0.00206084 14
3999 73 C 7.658 21.0738 10.3199 0.00161023 -0.00143064 0.000856709 14
4000 74 C 6.49762 20.5982 9.40204 -0.00532016 -0.00252197 0.00177245 14
4001 75 C 6.95383 20.1656 7.98426 -0.00175667 -0.00190976 -0.0019787 14
4002 76 C 7.16039 21.4175 7.10771 0.000520574 -0.00211067 0.00309836 14
4003 77 C 7.46961 21.0787 5.61359 0.00357552 -0.000573299 -0.00234871 14
4004 78 C 6.25305 20.5044 4.86169 -0.00231772 -0.00452373 0.00168271 14
4005 79 C 6.61746 19.9137 3.48209 -0.000900013 0.000219274 0.0027951 14
4006 80 C 6.93378 20.9965 2.43496 -0.0035659 0.00282161 -0.00145117 14
4007 81 C 7.61446 20.4234 1.18528 -0.000445936 -0.00157585 0.00216556 14
4008 82 C 9.6831 26.8632 14.8603 0.00124926 0.00272346 0.00226005 14
4009 83 C 9.48115 26.8649 13.3399 -0.00212035 -0.00187245 -4.98794e-05 14
4010 84 C 10.1308 28.0697 12.5615 -0.00183477 0.000490269 0.000197627 14
4011 85 C 10.5574 27.6189 11.1549 -0.000968492 0.00216533 -0.00540722 14
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4241 13 C 9.70122 13.395 31.3036 -0.00134085 -0.000597735 -0.00439381 15
4242 14 C 9.84108 13.3232 29.9256 -0.00530677 0.00210462 -0.00396496 15
4243 15 C 9.44937 14.3874 29.1355 -0.000560515 -0.000911847 0.00147029 15
4244 16 C 8.75233 15.4445 29.7142 9.11732e-07 0.00227414 0.00212924 15
4245 17 C 8.10466 16.5924 28.9651 -0.002026 0.00201634 -0.00060506 15
4246 18 O 8.85413 14.4069 33.2757 -0.00159443 -0.0015477 0.000100476 15
4247 19 O 4.73523 16.9873 32.5623 0.00104438 0.000561886 -0.0004168 15
4248 20 O 9.05876 19.1666 33.1333 -0.00187794 0.00209052 -0.00049337 15
4249 21 C 9.04442 14.4564 31.9082 0.00112335 0.000341577 0.00189486 15
4250 22 C 8.46749 16.6126 27.5513 -0.00420727 -0.00551795 -0.00460719 15
4251 23 C 9.00692 16.569 26.4768 -0.00233751 -0.0002589 0.000973069 15
4252 24 C 9.81286 16.6822 25.321 -0.00196762 -0.00218845 -0.00117291 15
4253 25 C 10.5182 15.5842 24.8525 -0.00244347 -0.00291263 0.00424743 15
4254 26 C 11.3751 15.7091 23.7481 0.00180457 -0.000532736 -0.000197727 15
4255 27 C 11.5601 16.9666 23.1547 -0.00113071 -0.000285014 -0.000704612 15
4256 28 C 10.8501 18.0628 23.6176 0.00365335 -0.00410339 -0.000179972 15
4257 29 C 9.96526 17.9296 24.697 0.000344055 0.000573941 -0.00101029 15
4258 30 C 12.3158 17.0753 21.9297 0.00377857 -0.000537427 -0.00151056 15
4259 31 C 12.7554 17.1425 20.7835 -0.000105185 -0.000635396 0.00211756 15
4260 32 C 11.2232 13.7739 18.4939 0.00191406 0.00249477 -0.000282275 15
4261 33 C 11.4291 13.7381 17.1068 -0.00198773 0.00147728 -0.00162821 15
4262 34 C 12.0647 14.8125 16.453 -0.00202375 0.0003847 -0.000952284 15
4263 35 C 12.4528 15.9484 17.1958 0.00425846 -0.00311441 0.00492141 15
4264 36 C 12.2866 15.9256 18.6167 0.000833639 0.00182768 -0.00364849 15
4265 37 C 11.663 14.8695 19.2573 -0.000531656 -0.00363861 0.000867695 15
4266 38 C 12.9377 17.1345 19.3094 -0.00142214 0.00164468 -0.000834767 15
4267 39 C 16.8332 17.0792 18.8793 0.00138692 0.000792411 0.00141082 15
4268 40 C 16.949 17.222 17.4703 -0.00289195 0.0052032 0.00573321 15
4269 41 C 15.7623 17.3511 16.703 -0.00301372 -0.00175163 0.00201745 15
4270 42 C 14.5005 17.2405 17.3454 0.00700426 -0.00220391 0.00540194 15
4271 43 C 14.3934 17.1286 18.758 -0.00189651 0.00390606 0.00168134 15
4272 44 C 15.5848 17.0633 19.5198 0.000235141 -0.00200146 0.00198243 15
4273 45 C 11.0497 20.4463 18.5588 -0.00412667 0.000340652 0.00425911 15
4274 46 C 11.2203 20.5488 17.1869 0.00394966 0.00454521 0.00465676 15
4275 47 C 11.8582 19.4602 16.5142 0.00137589 0.000800312 0.00595955 15
4276 48 C 12.3713 18.4021 17.2324 -0.00216196 0.000271536 0.00187177 15
4277 49 C 13.1482 17.2341 16.6524 -9.09237e-05 0.00745096 0.00111266 15
4278 50 C 12.2501 18.3588 18.6659 -0.00475733 -0.00278941 -6.30639e-05 15
4279 51 C 11.5753 19.4194 19.3121 -0.00219732 -0.00256981 0.00197044 15
4280 52 O 15.8527 17.5837 15.3327 0.000714381 -0.00052855 0.0016444 15
4281 53 O 12.4745 14.6903 15.1325 0.002638 0.00318233 0.00223327 15
4282 54 O 12.1052 19.5113 15.1892 0.000712161 0.0011892 -0.00162537 15
4283 55 C 7.72992 16.7443 31.5681 -0.00167472 -0.00233855 0.00396089 15
4284 56 C 8.53352 15.4943 31.1118 -0.000168916 0.00312082 0.000861249 15
4285 57 C 15.6083 16.5598 14.359 0.00171906 -0.00256047 0.00310193 15
4286 58 C 15.8448 17.1839 12.9691 -0.00115489 0.00172136 0.000121217 15
4287 59 C 15.0286 16.4559 11.8822 -0.00435184 0.00273671 -9.99056e-05 15
4288 60 C 15.4141 16.8413 10.4609 -0.0034796 -0.00442082 0.00254709 15
4289 61 C 14.6497 15.9739 9.42838 -0.00355937 0.00106565 -0.00354459 15
4290 62 C 15.3611 15.8071 8.05528 0.00111421 8.63977e-06 0.00254662 15
4291 63 C 15.6637 17.1626 7.36146 0.00243865 0.00143153 -0.00260279 15
4292 64 C 15.8688 17.0245 5.83077 -0.000152603 0.000727014 -0.000584484 15
4293 65 C 14.4873 17.0842 5.12796 0.00118291 -0.000236107 -0.000287516 15
4294 66 C 14.5967 16.8119 3.614 -0.00334492 -0.00176007 0.00124352 15
4295 67 C 15.38 17.8496 2.80472 0.00442957 -0.00281938 -0.00273132 15
4296 68 C 15.3426 17.4431 1.31915 -0.00230365 -0.00241731 -0.00288816 15
4297 69 F 12.0553 14.621 23.3478 0.000427732 -0.000664681 -0.00197006 15
4298 70 C 13.034 13.4329 14.7303 -0.000233762 -0.00359169 -0.00361365 15
4299 71 C 13.8271 13.6719 13.4452 0.00269665 0.00426395 0.00202115 15
4300 72 C 14.1437 12.3885 12.6504 0.00246238 0.000940972 -0.00131879 15
4301 73 C 14.4704 12.7219 11.163 -0.000193798 0.0027402 0.000385642 15
4302 74 C 14.8936 11.4764 10.3516 -0.00193835 0.00210354 0.000928731 15
4303 75 C 15.5737 11.8033 9.02185 0.000324548 -0.00378073 0.00504955 15
4304 76 C 14.6455 12.277 7.86868 0.0024813 -0.00115064 -0.00282221 15
4305 77 C 15.4655 12.5144 6.59642 -0.00150368 -9.64207e-05 0.00186354 15
4306 78 C 14.5984 12.9656 5.4482 0.00438717 0.00195702 0.0009723 15
4307 79 C 15.4934 13.1984 4.22746 -0.000409272 0.000302832 0.000471572 15
4308 80 C 14.7022 13.451 2.91275 -0.000944817 0.00163296 -0.000542821 15
4309 81 C 14.1969 12.1646 2.23952 -0.00278518 0.00106382 0.000818551 15
4310 82 C 11.2547 18.9231 14.2473 0.00213582 0.00369022 -0.00316009 15
4311 83 C 12.0136 18.9433 12.8719 0.00202575 0.00128696 0.00342053 15
4312 84 C 11.2308 18.394 11.67 -0.000535125 -0.00298974 0.00293893 15
4313 85 C 11.9915 18.6039 10.376 0.00273436 0.000329128 0.00336251 15
4314 86 C 11.092 18.2674 9.19377 0.000957759 0.00377425 -0.00310897 15
4315 87 C 11.7255 18.4279 7.80433 -0.000111565 -0.0010264 -0.00477102 15
4316 88 C 10.605 18.2367 6.76052 -0.00566735 -0.00576842 -0.000903567 15
4317 89 C 11.166 18.2528 5.35821 0.00136502 -0.00122802 0.00492753 15
4318 90 C 10.0692 18.4901 4.29228 0.000410602 -0.00103414 0.00315844 15
4319 91 C 10.4209 18.0502 2.86325 0.00331423 -0.00108484 -0.000505014 15
4320 92 C 11.5409 18.8685 2.27048 0.00130024 -0.0024924 -0.00279053 15
4321 93 C 11.7567 18.4724 0.778892 -0.000672305 0.00213776 -0.000768211 15
4322 94 C 3.34953 17.1399 32.9607 1.25567e-05 -0.00155917 0.00186547 15
4323 95 C 3.10652 17.0351 34.4913 -0.000414524 0.00535976 -0.00287186 15
4324 96 C 1.62351 17.1447 34.9427 -0.00478163 -0.000138034 -5.73507e-05 15
4325 97 C 1.38281 16.6267 36.3768 0.0041847 0.00062924 -0.00292643 15
4326 98 C 2.17105 17.3306 37.5258 -0.00495798 -0.00361552 0.00356186 15
4327 99 C 1.9706 16.5367 38.821 -0.00460764 0.000212562 7.9842e-05 15
4328 100 C 2.46781 17.2317 40.0858 0.00229991 -0.00244124 -0.000944548 15
4329 101 C 2.14878 16.4293 41.3347 0.00242104 4.88936e-05 0.00140324 15
4330 102 C 2.19926 17.2874 42.602 0.00210297 0.000167943 -0.00103388 15
4331 103 C 2.27236 16.3274 43.8104 -0.000978251 0.000724371 -0.000841427 15
4332 104 C 2.42874 17.067 45.1443 0.00289848 0.000203799 0.00145483 15
4333 105 C 2.91157 16.1071 46.2828 0.00162642 0.000446555 0.00533423 15
4334 106 C 9.59727 20.3825 33.7649 0.00371081 0.00336343 0.00430777 15
4335 107 C 9.77564 20.3555 35.2913 0.000743517 -0.00158312 0.00324748 15
4336 108 C 10.1205 21.7531 35.7991 -0.000129309 0.00157508 0.00327495 15
4337 109 C 9.66325 22.1035 37.2179 -0.000179776 0.000534673 -0.00425357 15
4338 110 C 10.4054 21.4185 38.37 -0.00630657 -0.00196772 0.00303107 15
4339 111 C 10.382 22.2247 39.6731 -0.00051175 -0.000269527 0.00153829 15
4340 112 C 9.03982 22.1655 40.4025 -0.00125422 -0.000935371 0.00105148 15
4341 113 C 8.77471 20.8486 41.1753 -0.00291229 -0.00122644 -0.00202659 15
4342 114 C 9.81305 20.4712 42.2634 0.00165264 0.00243888 -0.00269496 15
4343 115 C 10.0321 21.5669 43.3439 0.00495546 0.00504983 0.00422167 15
4344 116 C 10.598 20.996 44.6825 0.000808133 0.000604279 0.00190165 15
4345 117 C 9.50317 20.5138 45.5963 -0.0026686 -0.00463956 0.00069635 15
4346 118 C 9.4204 13.3231 34.0899 -0.00439495 0.00342794 0.000761315 15
4347 119 C 8.87067 13.3865 35.5278 -0.00183857 -0.000613484 -0.000736059 15
4348 120 C 9.75603 12.6624 36.5639 -0.00191657 -0.000285188 -0.000377426 15
4349 121 C 9.18822 12.7924 37.9832 0.00166758 0.00390827 -0.00160569 15
4350 122 C 10.2133 12.4563 39.0841 -0.00390858 -0.00159033 0.00345301 15
4351 123 C 9.54412 12.477 40.484 0.0013074 0.000418103 -0.000913017 15
4352 124 C 10.5433 12.2003 41.6252 0.00162777 0.00167542 -0.00230998 15
4353 125 C 9.90502 12.3146 42.9813 0.00106875 -0.000389435 0.00108445 15
4354 126 C 10.7921 11.9073 44.2039 0.00316041 -0.00149027 -0.00168101 15
4355 127 C 10.0192 12.1081 45.4961 -0.0013805 0.00028028 0.000360585 15
4356 128 C 10.647 11.4498 46.7409 0.00240363 0.00146786 -8.52136e-05 15
4357 129 C 11.9674 12.0816 47.2597 0.00568191 -0.00434099 0.000255439 15
4358 130 F 10.3496 14.3741 25.3939 0.00593871 -0.00151858 -0.00377238 15
4359 131 H 10.0793 21.0273 31.3998 -0.00337294 -0.0109726 0.0074689 15
4360 132 H 10.283 20.8546 29.048 -0.00763932 0.00270718 -0.0172558 15
4361 133 H 9.47446 18.8737 27.8022 -0.00911707 0.0119101 -0.00423885 15
4362 134 H 2.9964 17.1252 30.5961 -0.00277101 0.00473165 -0.00220636 15
4363 135 H 3.41272 16.8827 28.2042 -0.00301504 -0.00992968 0.00149491 15
4364 136 H 5.78896 16.6977 27.3683 -0.00329534 -0.0039878 -0.00170188 15
4365 137 H 10.071 12.5155 31.8225 -0.00494775 -0.00479119 -0.00889915 15
4366 138 H 10.3664 12.4762 29.4943 -0.00494386 -0.00100676 0.00256641 15
4367 139 H 9.63272 14.3862 28.0651 0.0158566 -0.00241909 0.00429543 15
4368 140 H 10.9994 19.0061 23.1006 -0.0222616 -0.00311237 -0.00579611 15
4369 141 H 9.41606 18.8138 25.0068 -0.00366915 -0.00204849 -0.000656278 15
4370 142 H 10.7324 12.9455 18.9963 -0.00459364 0.0113406 0.0079488 15
4371 143 H 11.0855 12.8745 16.5452 -0.00898919 -0.00470309 0.0121582 15
4372 144 H 11.4974 14.8211 20.3295 -0.00605826 -0.00757441 -0.000150257 15
4373 145 H 17.7556 17.0483 19.4516 -0.00325043 0.00683819 0.0091871 15
4374 146 H 17.909 17.2471 16.9633 -0.0035994 0.00102941 0.00418435 15
4375 147 H 15.473 17 20.5981 -0.00883858 -5.10836e-05 0.00118145 15
4376 148 H 10.4945 21.2015 19.1072 -0.00592003 -0.000776237 0.00398101 15
4377 149 H 10.7607 21.3835 16.6658 -0.00812799 -0.00944056 -0.007106 15
4378 150 H 13.1984 17.2378 15.5566 -0.00864129 -0.0101259 0.000643384 15
4379 151 H 11.3794 19.4515 20.3798 -0.003587 -0.0111257 0.00196608 15
4380 152 H 7.55775 16.7038 32.6508 0.0126073 -0.00251436 0.0062218 15
4381 153 H 16.327 15.7483 14.5272 -0.0130839 -0.0156769 0.00290058 15
4382 154 H 14.5739 16.1964 14.3976 -0.00159721 0.00553768 -0.0090656 15
4383 155 H 16.9135 17.0943 12.7384 -0.00250979 0.00725304 -0.00827066 15
4384 156 H 15.4916 18.2215 13.0145 -0.0156657 -0.00248001 -0.0164434 15
4385 157 H 13.9488 16.5695 12.0388 -0.0062492 0.00551955 -0.0151904 15
4386 158 H 15.2829 15.3908 11.948 0.000793189 0.00410845 0.00225979 15
4387 159 H 16.5011 16.75 10.345 -0.00191081 0.00552603 0.00928023 15
4388 160 H 15.2128 17.8939 10.2269 -0.00027891 -0.00162299 0.0124534 15
4389 161 H 13.6438 16.3709 9.24436 -0.00604887 -0.00122234 0.00513375 15
4390 162 H 14.4672 14.981 9.85778 0.0102016 0.00250692 0.00563711 15
4391 163 H 14.7457 15.2049 7.37558 0.0110965 0.000580102 -0.00704985 15
4392 164 H 16.2678 15.19 8.07513 -0.00438313 -0.00848823 -0.0080848 15
4393 165 H 16.5681 17.5855 7.81608 0.00658901 -0.0109095 0.000612673 15
4394 166 H 14.8744 17.8809 7.61545 -0.00633245 -0.0079446 -0.00337305 15
4395 167 H 16.4161 16.0918 5.64627 0.00641079 0.00473368 -0.00139134 15
4396 168 H 16.4805 17.8584 5.465 0.00275926 -0.00344258 -0.00521034 15
4397 169 H 14.0853 18.0963 5.25974 -0.00514097 -0.00279531 2.98719e-05 15
4398 170 H 13.7826 16.4029 5.62057 -0.00554433 -0.000510881 -0.0103109 15
4399 171 H 13.5972 16.6276 3.20101 -0.00147437 0.00570175 -0.00658222 15
4400 172 H 15.1574 15.8718 3.5419 -0.00168684 -0.000765317 0.00116972 15
4401 173 H 16.4338 17.936 3.0969 -0.000415145 0.00365848 0.0127307 15
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4408 180 H 13.357 14.4282 12.8045 0.00934839 0.00272589 -0.00467948 15
4409 181 H 14.7317 14.1969 13.7761 0.00247399 0.00449947 0.00225806 15
4410 182 H 14.8924 11.8099 13.2055 6.16023e-05 -0.00617184 -0.00549896 15
4411 183 H 13.2663 11.7305 12.6247 0.00472734 -0.00214181 0.000205111 15
4412 184 H 13.6305 13.2376 10.6813 0.0058421 -0.00292382 -0.0162075 15
4413 185 H 15.343 13.3855 11.1216 0.00852831 -0.0086244 0.00164028 15
4414 186 H 15.5548 10.8244 10.9357 0.0108798 0.0117795 -0.00281066 15
4415 187 H 13.985 10.9026 10.1309 -0.0128032 0.0145136 0.0133982 15
4416 188 H 16.4039 12.5065 9.16211 -0.000188184 -0.00377851 0.00805423 15
4417 189 H 16.0301 10.8626 8.68996 0.00844469 0.0040591 -0.0059829 15
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4420 192 H 16.2125 13.2873 6.81546 -0.00652286 0.00173889 0.0125693 15
4421 193 H 15.9937 11.6033 6.2893 0.00690815 0.00889925 -0.0103989 15
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4423 195 H 14.1336 13.9351 5.66617 0.00333767 0.00291067 -0.00546381 15
4424 196 H 16.0684 14.1051 4.45275 0.00117823 -0.00287147 0.0091789 15
4425 197 H 16.1751 12.3562 4.05631 0.000236085 0.00323005 -0.0114298 15
4426 198 H 13.831 14.0882 3.10903 -0.00415314 7.73661e-05 -0.00971828 15
4427 199 H 15.3571 13.9497 2.18763 0.0126665 -0.00476003 0.00734488 15
4428 200 H 13.5016 11.6125 2.88378 -0.0079248 0.0113518 0.00407777 15
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4430 202 H 15.0647 11.5222 2.04541 0.00579163 0.0121624 0.00236596 15
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4433 205 H 12.292 19.9691 12.6008 0.0070481 -0.0021136 -0.00433805 15
4434 206 H 12.9957 18.4617 12.955 -0.00339136 -0.00966325 0.00369011 15
4435 207 H 11.0642 17.3303 11.8803 0.00649349 -0.00129655 0.0172628 15
4436 208 H 10.291 18.9589 11.6376 -0.00261054 -0.0073839 -0.012575 15
4437 209 H 12.3412 19.6399 10.2867 -0.00189343 0.000891145 -0.00829991 15
4438 210 H 12.8857 17.9691 10.3465 0.00497305 0.00383289 -0.00448606 15
4439 211 H 10.7233 17.2375 9.27601 0.00653361 0.0011931 -0.0104113 15
4440 212 H 10.1956 18.8973 9.24918 -0.00725171 -0.0080407 -0.00140793 15
4441 213 H 12.1899 19.4187 7.72614 0.00504803 -0.00421565 -0.0145208 15
4442 214 H 12.5284 17.6993 7.63724 0.0110745 0.00818179 0.00880293 15
4443 215 H 10.121 17.2721 6.95701 -0.0254205 0.00170839 -0.013022 15
4444 216 H 9.86152 19.0372 6.85977 -0.00598834 -0.00555182 -0.00504079 15
4445 217 H 11.9167 19.0511 5.30709 -0.00467125 0.00419686 0.00107784 15
4446 218 H 11.668 17.3005 5.14705 -0.00552588 -0.00379374 9.88432e-05 15
4447 219 H 9.13173 17.9895 4.56418 -0.00281046 -0.00199049 -0.00965727 15
4448 220 H 9.86384 19.5677 4.2843 0.0147574 0.00174458 0.00742001 15
4449 221 H 10.6695 16.9818 2.87047 -0.0163082 -0.00575829 -0.0150212 15
4450 222 H 9.50205 18.153 2.27287 0.00283722 0.0073234 0.00169926 15
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4453 225 H 12.1207 17.4375 0.781074 -0.00652681 8.33389e-05 0.0133847 15
4454 226 H 10.8357 18.5553 0.188699 -0.00464544 -0.00511626 0.00442642 15
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4456 228 H 3.01267 18.1205 32.6023 0.00113052 -0.000946582 0.00248678 15
4457 229 H 2.76834 16.3381 32.4887 0.00129888 -0.00387402 0.00420983 15
4458 230 H 3.46844 16.0511 34.8142 -0.00464164 0.00350713 -0.00379672 15
4459 231 H 3.65777 17.7422 35.1233 -0.000752803 -0.00257254 0.00635998 15
4460 232 H 1.25558 18.1654 34.7803 -0.000812782 0.00233609 0.0065309 15
4461 233 H 0.981773 16.5326 34.297 0.00130948 0.000629101 -0.00683172 15
4462 234 H 0.323274 16.7735 36.6202 0.00635736 0.00606747 0.00332126 15
4463 235 H 1.59187 15.5501 36.4035 0.0129653 0.00237622 -0.0013661 15
4464 236 H 3.24868 17.3736 37.3251 -0.00672214 -0.0110992 -0.00751265 15
4465 237 H 1.80799 18.364 37.5878 0.00834924 0.0012674 6.73968e-05 15
4466 238 H 0.892859 16.4048 38.9774 -0.00324797 0.00847419 0.0165379 15
4467 239 H 2.42416 15.5415 38.7358 -0.00140071 0.00202498 -0.0039985 15
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4477 249 H 1.4574 17.5313 45.3548 0.00399075 0.00041307 0.00599147 15
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4480 252 H 2.14738 15.3455 46.4813 -0.000843262 0.00296958 0.00551038 15
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4482 254 H 8.9372 21.2151 33.492 0.0162307 0.0128062 0.00281133 15
4483 255 H 8.87626 19.9673 35.7852 -0.0111416 0.00702383 -0.0116438 15
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4489 261 H 9.97751 20.4252 38.5536 0.0069461 -0.00820304 7.37774e-05 15
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4498 270 H 10.8112 20.2102 41.8907 -0.00145194 0.00520203 -0.0128838 15
4499 271 H 10.7023 22.3207 42.9125 0.00295262 0.007022 0.0045509 15
4500 272 H 9.11161 22.1214 43.5646 0.00449661 0.000126792 0.0146661 15
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4502 274 H 11.1766 21.8111 45.1343 -0.00442526 0.00404501 0.00242017 15
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4506 278 H 9.19515 12.3204 33.7061 0.0175623 -0.00461719 0.00882521 15
4507 279 H 10.5126 13.4219 34.1179 -0.00419765 -0.00256053 0.0143071 15
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4512 284 H 8.31926 12.1241 38.025 0.00343159 0.00183437 0.00171123 15
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4515 287 H 10.6519 11.4938 38.7934 -0.00775938 -0.00276331 0.0015063 15
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4523 295 H 11.1159 10.8593 44.1845 0.00673267 -0.000497547 0.00359994 15
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4525 297 H 9.82464 13.149 45.7826 -0.0115982 0.000665859 -0.00808879 15
4526 298 H 10.8275 10.3757 46.6102 0.000600413 -0.000269686 0.0115749 15
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4532 2 C 13.7689 26.7015 30.0794 0.00244501 0.00115761 -0.000550561 16
4533 3 C 13.2797 25.6152 29.3996 0.00272969 -0.00234312 -0.00156112 16
4534 4 C 12.5821 24.591 30.0822 -0.00168693 0.00166217 -0.00306813 16
4535 5 C 12.3831 24.6421 31.4778 -0.000311892 -0.0039461 -0.000408073 16
4536 6 C 12.8062 25.8214 32.1421 -0.00245282 -0.00127381 -0.00135188 16
4537 7 C 7.88836 23.5414 30.8252 0.00235982 -0.000462223 0.00591946 16
4538 8 C 8.08071 23.5198 29.4709 -0.00177161 -0.00539788 0.00412709 16
4539 9 C 9.3542 23.5253 28.9162 0.00653241 0.000112377 0.0038689 16
4540 10 C 10.4408 23.4521 29.7932 -0.00152909 0.0020964 -0.000453689 16
4541 11 C 10.2762 23.4623 31.2236 0.000984972 -0.00343289 0.00261977 16
4542 12 C 8.97119 23.502 31.7651 0.00241281 -0.00148965 0.00226291 16
4543 13 C 13.6169 20.0716 31.5322 -0.00264778 -0.000207055 0.00343589 16
4544 14 C 13.7908 20.1325 30.1609 0.00257701 -0.00198547 -0.00150153 16
4545 15 C 13.1525 21.1075 29.4167 -0.00321715 0.00260517 -0.0028277 16
4546 16 C 12.5044 22.1825 30.0633 -0.00709159 0.00184324 0.00177526 16
4547 17 C 11.9156 23.3891 29.3647 -0.000469852 0.00116548 0.00129811 16
4548 18 O 12.8767 20.9865 33.6034 -0.00135694 -0.000271053 0.00307507 16
4549 19 O 8.72215 23.639 33.1363 -0.0011211 0.00132195 0.00161168 16
4550 20 O 12.676 25.9854 33.5429 -0.00129259 -0.00272 -0.00159904 16
4551 21 C 12.9045 21.0746 32.219 0.00189656 0.00413566 -0.00296284 16
4552 22 C 12.2066 23.44 27.9177 2.61927e-05 0.00161841 3.7857e-05 16
4553 23 C 12.6865 23.5142 26.7899 0.00253295 0.00324165 0.001455 16
4554 24 C 13.435 23.58 25.5651 0.00212352 -0.00240456 0.00260913 16
4555 25 C 13.6894 22.4436 24.8308 0.00047431 -0.00247525 0.00226275 16
4556 26 C 14.5298 22.4153 23.7118 0.00301902 -0.000441249 0.00048717 16
4557 27 C 15.1746 23.583 23.3473 -0.00374236 0.000925425 -0.00184832 16
4558 28 C 14.9949 24.7539 24.1346 -0.00394974 -0.00017241 -0.000521169 16
4559 29 C 14.1238 24.7362 25.2303 -0.000957072 -0.000726586 0.00113837 16
4560 30 C 15.9264 23.6875 22.1368 -0.00499629 -0.00168524 0.00196404 16
4561 31 C 16.4623 23.7405 21.042 2.98319e-05 0.00123953 -0.000723669 16
4562 32 C 14.9939 20.5364 18.5346 0.000951731 -0.000869998 -0.00126869 16
4563 33 C 15.0483 20.6766 17.1432 0.00206571 -0.00457914 0.00276127 16
4564 34 C 15.751 21.766 16.5766 0.000568218 0.00330211 -0.000256707 16
4565 35 C 16.3137 22.677 17.4357 0.00102793 0.00385022 8.04791e-05 16
4566 36 C 16.1378 22.6105 18.8098 0.0034509 8.49043e-05 -0.00121986 16
4567 37 C 15.531 21.526 19.3828 -0.00114146 0.00124211 -9.08328e-05 16
4568 38 C 16.8123 23.7528 19.5857 0.00250152 -0.00414588 -0.005743 16
4569 39 C 20.7035 23.9997 19.3271 -0.00298058 0.000985536 0.00402381 16
4570 40 C 20.8133 24.0144 17.9022 -0.00186834 -0.000455658 0.00183794 16
4571 41 C 19.7095 23.8387 17.0793 -0.00260955 0.00146929 -0.0046151 16
4572 42 C 18.419 23.7912 17.703 0.000354943 0.0018858 -0.00327775 16
4573 43 C 18.2792 23.7763 19.1038 -0.00118741 0.00454811 -0.00399194 16
4574 44 C 19.4383 23.9068 19.9374 -0.000725679 0.00329277 -0.0021896 16
4575 45 C 15.4676 27.3444 18.8969 -0.0017676 0.00136127 -0.000811375 16
4576 46 C 15.5574 27.341 17.5049 0.00101685 0.00100895 0.00179143 16
4577 47 C 16.0464 26.2272 16.7868 0.00366125 -0.000918962 0.00125117 16
4578 48 C 16.3932 25.072 17.5151 -0.00122025 -0.00391057 0.00316985 16
4579 49 C 17.122 23.8512 16.9432 -0.00234002 0.00064543 0.00242325 16
4580 50 C 16.2197 25.0241 18.9261 -0.00474454 -0.00268149 0.000665998 16
4581 51 C 15.7584 26.161 19.6242 -0.00193344 -0.00147152 -0.000940524 16
4582 52 O 19.8532 23.8929 15.7048 -0.00314146 0.00202714 -0.0030416 16
4583 53 O 15.8566 21.9195 15.2069 0.000983262 -0.00455665 -0.00372939 16
4584 54 O 16.3278 26.3248 15.4304 -0.00193999 -0.00121215 0.00156573 16
4585 55 C 11.5916 23.4163 32.0309 -0.00257353 -0.00297672 0.00485162 16
4586 56 C 12.3606 22.1488 31.4707 0.00083829 -0.00253881 -0.000737714 16
4587 57 C 19.5545 22.7415 14.8998 0.000206342 0.00220532 0.001168 16
4588 58 C 18.6641 23.0477 13.6893 -0.0017143 -0.00182034 0.00278435 16
4589 59 C 19.3787 23.1916 12.3192 -0.0043829 -0.00146099 0.00314758 16
4590 60 C 18.3771 23.177 11.1354 -0.000317076 -0.00219225 -0.00384514 16
4591 61 C 19.1311 23.3369 9.8161 0.00279313 0.00183149 0.000466215 16
4592 62 C 18.2933 23.2019 8.50774 -0.000349784 0.000473894 6.16698e-05 16
4593 63 C 18.9913 23.7373 7.23989 -0.00106362 1.29497e-05 -0.00150235 16
4594 64 C 18.2561 23.4766 5.95128 0.00113452 5.5229e-05 0.00140499 16
4595 65 C 18.9241 24.0104 4.65622 0.000649086 0.000840641 0.00149161 16
4596 66 C 17.9461 23.783 3.48365 0.00117771 -0.000204215 -0.00271789 16
4597 67 C 18.3822 24.3907 2.16134 -0.00522421 -0.000984155 0.00309082 16
4598 68 C 19.5797 23.6628 1.4947 0.0029602 0.00378903 -0.00176998 16
4599 69 F 14.7438 21.3097 22.9655 -0.000432945 -0.00240443 -0.00125713 16
4600 70 C 15.3244 20.9888 14.2136 0.00060236 0.00174487 -0.000632926 16
4601 71 C 15.1694 21.734 12.8439 0.000608174 -0.00326845 0.000948503 16
4602 72 C 15.2103 20.8082 11.5987 0.00195391 -0.000463442 -0.00556835 16
4603 73 C 15.0505 21.6873 10.2825 -0.0036845 1.31199e-05 0.00328243 16
4604 74 C 14.8519 20.7932 9.05406 0.00163813 -0.00158361 -0.00425714 16
4605 75 C 14.9431 21.5055 7.68725 0.00113722 -0.000740397 0.00267931 16
4606 76 C 15.1128 20.4662 6.55324 -0.000112452 -0.00263576 0.00153899 16
4607 77 C 15.5443 20.976 5.19913 -0.000660634 0.00256121 0.000684829 16
4608 78 C 14.6198 22.0442 4.62207 -0.00462374 0.000624633 0.00113265 16
4609 79 C 14.1058 21.7091 3.20877 -0.00136995 -0.00082381 -0.000837993 16
4610 80 C 15.1118 21.8455 2.06068 -0.0018158 -0.00188604 -0.00450964 16
4611 81 C 14.6064 21.2017 0.767933 0.00140307 0.00184514 -0.00367743 16
4612 82 C 17.6858 26.548 15.0841 -0.00433005 0.00389818 -0.00314796 16
4613 83 C 17.9617 26.6606 13.5931 0.0020351 0.00211958 -0.0026386 16
4614 84 C 17.9267 28.098 13.1402 -0.00719132 0.000860737 -0.00257474 16
4615 85 C 18.6724 28.3561 11.8115 0.00175999 -0.00116532 -6.49542e-05 16
4616 86 C 18.1317 27.5673 10.6279 0.00248668 0.00118772 -0.00208414 16
4617 87 C 18.726 28.1566 9.3053 -0.00334348 -0.000392217 -0.000627428 16
4618 88 C 18.0041 27.5617 8.09476 0.00622615 0.000285976 0.00496525 16
4619 89 C 18.609 28.027 6.77262 0.00372407 -0.00430485 0.000281343 16
4620 90 C 17.6923 27.6847 5.61944 -0.000568886 -0.00162407 0.00245004 16
4621 91 C 18.2886 27.9992 4.21293 0.00128371 0.00213001 -0.00715104 16
4622 92 C 17.2468 27.6494 3.1228 0.000743572 0.000850013 0.00110073 16
4623 93 C 17.694 27.9128 1.6901 -0.000618786 -0.00296936 -0.00455023 16
4624 94 C 7.34391 23.5222 33.6457 0.00145213 -0.00316249 0.000982035 16
4625 95 C 7.16251 23.8513 35.1415 -0.00297139 0.00216142 -0.00255844 16
4626 96 C 5.69926 23.4435 35.5925 -0.000817528 0.00235227 0.00536664 16
4627 97 C 5.18871 23.982 36.9171 0.00374492 -0.00422442 -0.000587902 16
4628 98 C 5.91261 23.5064 38.1946 -0.000942341 -0.00137192 0.00081034 16
4629 99 C 5.26321 24.2575 39.3867 0.00182472 -0.00121115 0.000904886 16
4630 100 C 6.16818 24.394 40.6044 0.00281644 -0.00228677 0.00298386 16
4631 101 C 5.84645 23.4109 41.7585 -0.00203514 0.00394248 -0.00100943 16
4632 102 C 6.60052 23.7856 43.0739 -0.00236041 -0.00191531 0.00651895 16
4633 103 C 6.22034 22.8789 44.2899 -0.000916309 -0.00146414 0.000206741 16
4634 104 C 6.8445 23.4496 45.607 0.00404788 -0.002972 0.0040321 16
4635 105 C 6.24087 22.7074 46.8085 -0.00279862 0.000118963 0.000580521 16
4636 106 C 13.3325 27.0498 34.2304 -0.0017203 -0.00276417 -0.00145365 16
4637 107 C 13.2176 27.0445 35.7314 -0.00132378 0.000847515 0.00174697 16
4638 108 C 13.9125 28.2902 36.3812 -0.00223782 -0.000648592 -0.00192139 16
4639 109 C 14.2814 28.1406 37.8764 0.00226132 0.00291911 0.00162207 16
4640 110 C 13.0933 28.1234 38.8013 0.0011512 0.000379769 0.000329456 16
4641 111 C 13.452 27.6603 40.2076 -0.0082091 0.00433025 0.00125083 16
4642 112 C 14.0965 28.8159 40.9792 0.00388735 -0.00116656 0.00219791 16
4643 113 C 14.0887 28.414 42.4755 -3.30115e-05 -0.00136753 0.00114257 16
4644 114 C 14.4314 29.5485 43.4231 -0.00438451 -0.00301045 0.00289821 16
4645 115 C 14.3857 29.1468 44.9294 0.000322377 0.00640819 -0.00135041 16
4646 116 C 13.2863 28.2168 45.3646 -0.000441871 0.00127853 -0.00187886 16
4647 117 C 13.2102 28.0264 46.8794 0.00337509 -0.00077219 0.00276808 16
4648 118 C 13.486 19.9202 34.3662 0.00257195 -0.00206498 0.00139717 16
4649 119 C 13.5269 20.1599 35.8764 -0.00199262 -0.00148583 -0.00178925 16
4650 120 C 14.0244 19.0333 36.7463 0.00273822 0.000653203 -0.0017918 16
4651 121 C 14.0985 19.5008 38.2118 0.00197463 0.000421741 -0.00303204 16
4652 122 C 14.4193 18.3573 39.1752 0.000964552 0.00165602 -0.000392014 16
4653 123 C 14.7845 18.878 40.5688 0.00214078 -0.0077283 0.00332136 16
4654 124 C 13.621 19.5886 41.2571 5.58638e-05 -0.000377947 0.00092349 16
4655 125 C 14.0037 20.0554 42.6801 0.00102054 -0.00164978 0.00135058 16
4656 126 C 14.138 18.9237 43.7389 0.000164066 0.00403661 -0.00149995 16
4657 127 C 14.7549 19.5149 45.0462 0.00261424 0.00161189 0.00144535 16
4658 128 C 14.2388 18.8678 46.3014 -0.00475161 -0.000404738 0.00152365 16
4659 129 C 12.792 19.2437 46.5943 0.00437062 0.00282788 0.00170852 16
4660 130 F 13.142 21.2705 25.1748 -0.00237586 0.00446567 -0.000841612 16
4661 131 H 13.9529 27.7078 31.9075 0.00168091 -0.00632074 0.0135488 16
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4663 133 H 13.3856 25.6507 28.3194 0.0071464 -0.00943473 -0.00135015 16
4664 134 H 6.85871 23.6256 31.1601 -0.000222091 0.00778334 -0.00409317 16
4665 135 H 7.24534 23.5588 28.7781 -0.00605173 -0.0043402 0.00936568 16
4666 136 H 9.49616 23.585 27.8411 0.00250769 0.00867759 0.00380935 16
4667 137 H 14.0568 19.2121 32.0293 -0.00346786 -0.000482096 0.00368641 16
4668 138 H 14.2933 19.3215 29.642 -0.00124505 -0.000848189 -0.00698799 16
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4670 140 H 15.4903 25.6712 23.8304 -0.00795281 0.00364883 0.00450857 16
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4675 145 H 21.5522 24.2044 19.9731 -0.00598023 0.0206479 0.00176707 16
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4679 149 H 15.3703 28.2227 16.8992 -0.00133658 0.00619547 0.0101289 16
4680 150 H 17.2282 23.86 15.8514 0.0113321 -0.00552087 0.00370423 16
4681 151 H 15.65 26.164 20.7048 0.000826849 -0.00703774 -0.000648579 16
4682 152 H 11.4918 23.4773 33.1216 0.0130917 0.0131896 0.00541876 16
4683 153 H 20.4527 22.286 14.4651 -0.000975785 -9.50431e-06 0.00104067 16
4684 154 H 19.1122 21.9744 15.5474 0.000108842 0.00456595 0.00389921 16
4685 155 H 18.0715 23.9591 13.8363 0.0102925 0.00591407 0.00337021 16
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4687 157 H 20.1225 22.3978 12.1778 -0.00131505 0.00183042 0.000792942 16
4688 158 H 19.8952 24.1593 12.3346 0.0139236 -0.0112989 0.00726202 16
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4694 164 H 17.9858 22.1613 8.3467 0.00129291 0.00141021 -0.00914386 16
4695 165 H 19.9493 23.2142 7.12949 0.00518147 0.00864387 0.01195 16
4696 166 H 19.2044 24.811 7.31175 -0.0139262 0.00210839 0.00517102 16
4697 167 H 17.2332 23.8594 6.05487 -0.00110267 -0.00279651 -0.0101541 16
4698 168 H 18.1889 22.3885 5.82922 0.00767804 0.000975353 -0.0104686 16
4699 169 H 19.8474 23.4266 4.55558 0.0011463 0.000472023 0.00803196 16
4700 170 H 19.1457 25.0771 4.7841 -0.000587843 -0.000294145 0.0132248 16
4701 171 H 16.9569 24.2238 3.65837 0.00660868 0.00916742 0.00419567 16
4702 172 H 17.6893 22.7274 3.33136 -0.00393688 0.00092221 -0.00197012 16
4703 173 H 18.6852 25.4372 2.28888 -0.00755464 0.000435181 -0.00289307 16
4704 174 H 17.5579 24.4394 1.43915 -0.00416809 0.000414441 0.00197433 16
4705 175 H 20.4649 23.7515 2.1365 -0.000729318 0.0117555 0.00221904 16
4706 176 H 19.824 24.1984 0.569058 -0.000996222 0.00605659 -0.00150383 16
4707 177 H 19.4258 22.5945 1.29866 -0.00426458 0.0055409 -0.00558739 16
4708 178 H 15.9577 20.0985 14.1144 -0.0110443 -0.00693027 0.00289933 16
4709 179 H 14.3041 20.6852 14.4783 0.00265178 -0.00175707 0.00321232 16
4710 180 H 14.2206 22.2842 12.8653 0.00284514 0.00037448 0.00661011 16
4711 181 H 15.9585 22.4931 12.7762 0.000754862 -0.00401052 -0.00555967 16
4712 182 H 16.1726 20.2827 11.5631 0.00195226 -0.000783439 -0.000888522 16
4713 183 H 14.4246 20.0444 11.652 0.00297381 -0.00113876 -0.000256788 16
4714 184 H 14.1725 22.3428 10.3351 0.00484253 0.0112949 0.00479344 16
4715 185 H 15.936 22.3182 10.1363 0.0010632 -0.00859756 -0.00515622 16
4716 186 H 15.5892 19.9818 9.09141 0.00575198 0.00233841 -0.000435629 16
4717 187 H 13.8795 20.2856 9.0405 0.00764073 -0.013325 0.00605432 16
4718 188 H 14.0366 22.0937 7.4985 0.00267412 -0.00137328 -0.00672928 16
4719 189 H 15.7557 22.2422 7.70532 -0.00338908 0.00478106 -0.0192334 16
4720 190 H 15.8936 19.7691 6.88159 -0.00875965 -0.00971667 0.00705172 16
4721 191 H 14.1515 19.9459 6.46047 -0.000271404 -0.000519509 -0.00863597 16
4722 192 H 16.5208 21.4662 5.29711 -0.00104434 0.00437142 -0.00450933 16
4723 193 H 15.7015 20.128 4.52122 -0.010482 -0.000774436 0.00258801 16
4724 194 H 13.7457 22.2424 5.25459 -0.00751235 0.00120289 -0.0030368 16
4725 195 H 15.1523 23.003 4.64375 -0.00945418 0.00344983 -0.00528639 16
4726 196 H 13.6362 20.7178 3.19897 0.00413105 -0.00353928 0.0124549 16
4727 197 H 13.273 22.3618 2.91934 0.00915135 0.00970715 -0.00732369 16
4728 198 H 15.3479 22.91 1.94013 0.00362725 -0.00395516 -0.0120121 16
4729 199 H 16.0289 21.3369 2.38276 -0.0102666 -0.0113352 0.00469869 16
4730 200 H 15.3014 21.4799 -0.0339422 0.00507304 0.0132176 0.00345796 16
4731 201 H 14.6809 20.1073 0.757746 -0.00478036 0.00137355 0.00544607 16
4732 202 H 13.6377 21.5954 0.436446 -0.00302899 0.00787423 0.0165147 16
4733 203 H 17.9706 27.4945 15.5599 -0.00799378 0.00772732 -0.00855587 16
4734 204 H 18.3339 25.7521 15.4713 -0.0230512 -0.00793556 0.00371307 16
4735 205 H 18.9568 26.2446 13.3927 0.00738954 0.0153632 -0.00348214 16
4736 206 H 17.2748 25.9955 13.0553 0.0055791 0.00503231 -0.0107456 16
4737 207 H 16.8634 28.3578 13.0666 -0.010679 -0.0171317 -0.0162808 16
4738 208 H 18.4579 28.7358 13.8575 -0.00350077 0.00474653 -0.00874061 16
4739 209 H 18.5496 29.4112 11.5374 0.000815086 -0.00185949 -0.0023268 16
4740 210 H 19.7534 28.1937 11.9026 0.000919551 -0.00197921 0.00847803 16
4741 211 H 18.4856 26.5322 10.7109 -0.00199259 -8.38003e-05 0.00108047 16
4742 212 H 17.0388 27.497 10.5645 0.00237268 0.00841464 -0.00804589 16
4743 213 H 18.6081 29.2459 9.24996 0.000812697 0.000514918 0.0085444 16
4744 214 H 19.8 27.9436 9.23748 -0.00219886 0.00872922 -0.0111612 16
4745 215 H 17.9357 26.4682 8.14988 -0.00368172 0.000595812 -0.000913944 16
4746 216 H 16.9677 27.9202 8.06926 0.00504533 -0.00264931 0.0122401 16
4747 217 H 18.7104 29.1188 6.80663 -0.0159953 -0.00209367 -0.011782 16
4748 218 H 19.614 27.6062 6.6451 0.00656319 0.00715955 -0.0151832 16
4749 219 H 17.4464 26.6185 5.69763 0.0112824 -0.00365484 0.0120569 16
4750 220 H 16.7468 28.2184 5.77625 -0.00135908 -0.0020311 -0.000946679 16
4751 221 H 18.5889 29.0543 4.21231 0.01917 -0.00292208 0.00108943 16
4752 222 H 19.2206 27.4441 4.05032 -0.00253411 -0.00733953 0.0033435 16
4753 223 H 17.0012 26.5825 3.19174 -0.0106921 0.00348953 0.00121526 16
4754 224 H 16.3128 28.1824 3.33976 -0.00362679 0.00170826 -0.0198445 16
4755 225 H 16.9479 27.6659 0.924698 -0.00610542 0.00808296 -0.00274402 16
4756 226 H 18.0462 28.9504 1.63801 -0.0183335 0.00339757 0.00279528 16
4757 227 H 18.5869 27.3012 1.51118 0.00075077 -0.0019884 -0.00110168 16
4758 228 H 6.70088 24.2171 33.0917 0.0179039 0.00127913 -0.0125752 16
4759 229 H 7.00262 22.4841 33.5491 0.0103568 -0.00638191 0.00403803 16
4760 230 H 7.84738 23.2267 35.7283 -0.00226249 0.0115975 0.00664782 16
4761 231 H 7.4139 24.8904 35.3875 -0.012253 0.00493875 -0.00484484 16
4762 232 H 5.02811 23.8844 34.8452 -0.00705697 0.00966942 0.0152756 16
4763 233 H 5.55622 22.3561 35.5686 -0.00279318 0.00268266 0.00204681 16
4764 234 H 5.18733 25.0785 36.8832 0.0136416 -0.00393852 0.00858327 16
4765 235 H 4.12271 23.7413 37.0126 0.00289908 0.00146728 0.00440953 16
4766 236 H 5.73261 22.4346 38.3438 -0.00671318 0.000385681 0.00647617 16
4767 237 H 7.00081 23.5875 38.0822 -0.00198677 0.017542 0.00455809 16
4768 238 H 5.04506 25.3018 39.1315 -0.00498536 -0.00747295 -0.018695 16
4769 239 H 4.32843 23.766 39.6834 0.00390139 -0.0101036 -0.00727459 16
4770 240 H 7.21814 24.29 40.3042 0.00318867 -0.0185884 0.00991594 16
4771 241 H 6.07972 25.4169 40.9907 0.00358602 0.00109879 -0.00580842 16
4772 242 H 4.77228 23.3899 41.9801 0.000583325 0.0144208 0.0127907 16
4773 243 H 6.21904 22.4255 41.4526 -0.0104363 -0.0028834 0.0108394 16
4774 244 H 7.69243 23.7645 42.9705 -0.00447205 -0.00792601 -0.0138906 16
4775 245 H 6.47345 24.8451 43.3285 0.0140777 0.00254346 -0.00365383 16
4776 246 H 5.12427 22.8745 44.3349 -0.000793826 0.00791954 0.00383118 16
4777 247 H 6.49175 21.8399 44.0659 -0.00628703 -0.00138385 -0.00676219 16
4778 248 H 7.93561 23.3681 45.5278 0.0044108 -0.00366426 0.00987564 16
4779 249 H 6.53086 24.4981 45.6834 0.00189576 -0.00323101 -0.0011277 16
4780 250 H 6.33519 21.6209 46.6897 0.00867787 0.00140948 -0.00209191 16
4781 251 H 6.68751 22.9315 47.7851 -0.00781931 0.010103 0.000574929 16
4782 252 H 5.17544 22.9514 46.902 0.000278544 0.0116704 0.00555496 16
4783 253 H 14.3961 27.004 33.9657 0.00329246 0.0114408 0.0162913 16
4784 254 H 12.8993 27.9887 33.864 0.00661846 0.00521946 0.00916837 16
4785 255 H 12.1574 27.0033 36.0101 0.000429268 -0.00925764 0.00689045 16
4786 256 H 13.7472 26.1678 36.1243 -0.00142065 0.00192183 0.00427788 16
4787 257 H 14.8455 28.5056 35.846 0.000768031 0.0043471 0.00532027 16
4788 258 H 13.3563 29.2187 36.2022 -0.00281287 4.62436e-05 0.00351759 16
4789 259 H 14.8109 27.1828 37.9519 0.000601716 0.00169273 -0.00216509 16
4790 260 H 14.961 28.9476 38.1769 0.00288298 0.0050561 -0.00548974 16
4791 261 H 12.6755 29.1376 38.8133 -0.00444854 -0.00197808 0.0044596 16
4792 262 H 12.27 27.5232 38.3947 -0.0015603 0.00152617 0.00411407 16
4793 263 H 12.5252 27.3235 40.6882 -0.0105334 -0.00820644 -0.0119528 16
4794 264 H 14.1282 26.7969 40.2356 0.0112709 0.0195666 0.0010476 16
4795 265 H 15.1208 29.0586 40.6706 0.00664319 -0.00162056 0.0109386 16
4796 266 H 13.4854 29.7205 40.8716 -0.000513243 -0.00555298 -0.00960467 16
4797 267 H 13.0913 28.0152 42.698 -0.00365502 0.0027794 -0.00761713 16
4798 268 H 14.8086 27.598 42.6147 -0.00574881 -0.00622952 0.00219203 16
4799 269 H 15.4381 29.9303 43.2128 -0.00594553 -0.00494973 -0.00803981 16
4800 270 H 13.7258 30.378 43.2916 0.00958937 0.00652913 -0.0117707 16
4801 271 H 15.3166 28.659 45.2436 7.57516e-05 0.00545782 -0.00209579 16
4802 272 H 14.3098 30.0917 45.4815 -0.0105982 0.00423566 0.00085794 16
4803 273 H 12.3485 28.622 44.965 -0.004554 -0.00050174 0.00601358 16
4804 274 H 13.3073 27.2433 44.8594 0.0106866 -0.00137763 0.00377989 16
4805 275 H 13.822 27.1489 47.1222 0.00619851 -0.00466534 -0.0182594 16
4806 276 H 13.602 28.9 47.4149 -0.0114344 0.00150459 0.00991016 16
4807 277 H 12.1742 27.8874 47.212 0.00493933 -0.00511542 0.00581236 16
4808 278 H 13.0084 18.9544 34.1599 -0.014469 0.00855744 -0.00877836 16
4809 279 H 14.5407 19.8508 34.0727 0.00408407 -0.0075614 0.00811761 16
4810 280 H 12.5366 20.4713 36.2308 0.00253948 0.00775429 0.00282058 16
4811 281 H 14.1386 21.0484 36.0761 -0.0105095 0.00179694 0.00983073 16
4812 282 H 15.0577 18.809 36.4543 0.00216986 -0.00677831 0.0019517 16
4813 283 H 13.3845 18.1549 36.5963 -0.00576181 0.00559661 0.00553484 16
4814 284 H 13.1485 19.9885 38.463 0.00257928 0.00611694 -0.0117351 16
4815 285 H 14.8745 20.275 38.2558 -0.00454727 0.00583199 0.0162183 16
4816 286 H 15.3179 17.8381 38.8197 -0.00852011 -0.0100141 -0.00712458 16
4817 287 H 13.5044 17.7595 39.2703 -0.00061528 0.00641824 0.014596 16
4818 288 H 15.6754 19.516 40.5179 -0.00376193 0.00027186 0.000318833 16
4819 289 H 15.0466 18.0012 41.1737 -0.0031239 -0.0158813 -0.0061971 16
4820 290 H 12.751 18.9231 41.3167 -0.00597504 0.00636134 -0.0119128 16
4821 291 H 13.2984 20.4708 40.6905 0.0122672 0.0043648 0.00136999 16
4822 292 H 13.2409 20.7734 43.0059 -0.00928438 -0.0143173 0.00513311 16
4823 293 H 14.9545 20.5988 42.6169 0.00733806 -0.0115648 0.0110743 16
4824 294 H 14.8214 18.1262 43.4218 -0.00423053 -0.00486467 0.0113795 16
4825 295 H 13.1619 18.4678 43.9459 -0.000242221 0.00428986 -0.00286735 16
4826 296 H 14.5137 20.5839 45.0956 0.0056065 0.00251997 -0.00355058 16
4827 297 H 15.8484 19.4279 45.0391 0.00291104 0.00544963 0.000214813 16
4828 298 H 14.8746 19.2181 47.1238 0.00106387 0.00415382 -0.00491157 16
4829 299 H 14.3951 17.7821 46.288 0.00103409 0.000435175 0.000508392 16
4830 300 H 12.5103 18.7703 47.543 -0.000755803 0.00278384 0.000157534 16
4831 301 H 12.1134 18.8522 45.8264 0.0073848 -0.00953117 0.00535863 16
4832 302 H 12.651 20.3287 46.6738 0.00134275 0.00220303 0.00487385 16
4833 1 C 17.5268 19.9972 31.0011 0.00153694 0.000502228 0.00223457 17
4834 2 C 17.7166 19.8574 29.6327 -0.00205618 3.48814e-05 0.000909419 17
4835 3 C 17.2616 18.6754 29.0226 -0.00200026 -0.00220577 0.000137429 17
4836 4 C 16.6223 17.6864 29.7536 0.00298725 0.00116284 -0.00072179 17
4837 5 C 16.4747 17.8025 31.1603 0.00114344 0.00190907 -0.00574147 17
4838 6 C 16.9547 18.9684 31.8017 -0.0055599 -0.000943624 -0.00187825 17
4839 7 C 11.9013 16.9056 30.5144 -0.00518826 0.000897697 0.000420961 17
4840 8 C 12.1062 16.9125 29.1264 -0.00275968 -0.000898568 -0.00130311 17
4841 9 C 13.3917 16.766 28.6341 -0.00175238 -0.000571974 -0.000285337 17
4842 10 C 14.469 16.6694 29.5371 -0.00300627 -0.00162036 -0.0017919 17
4843 11 C 14.2863 16.7406 30.9651 -0.00229008 -0.000535832 -0.00556213 17
4844 12 C 12.9487 16.8667 31.4843 0.000184866 0.00255309 -0.0024546 17
4845 13 C 17.5155 13.358 31.5499 -0.0042336 -0.00237771 0.00295889 17
4846 14 C 17.6421 13.2343 30.1671 -0.00420799 -0.000173252 0.000539355 17
4847 15 C 17.1218 14.1842 29.3213 0.00631054 -0.0046186 0.00217342 17
4848 16 C 16.4722 15.2918 29.9164 -0.000302381 -0.000190345 -0.00178075 17
4849 17 C 15.9407 16.4962 29.1417 -0.00190018 0.00212822 -0.0045489 17
4850 18 O 16.6993 14.3732 33.5366 -0.00126951 0.00101722 0.00309915 17
4851 19 O 12.7083 17.0123 32.8487 0.000434149 0.0018748 -0.000478029 17
4852 20 O 16.8025 19.1511 33.1689 0.00448743 -0.000223578 -0.000926947 17
4853 21 C 16.878 14.4332 32.1801 0.00307644 -0.00450608 -0.00253693 17
4854 22 C 16.1805 16.3783 27.714 0.00252953 0.000427682 -0.00069549 17
4855 23 C 16.6239 16.3207 26.5904 -0.000795699 1.46514e-05 -0.000310074 17
4856 24 C 17.3698 16.3728 25.4356 0.00186452 0.0051361 -0.0022315 17
4857 25 C 18.278 15.3459 25.1991 -0.000885757 6.24587e-06 -0.00301762 17
4858 26 C 19.2144 15.4672 24.1826 0.000944776 -0.00226502 0.000952137 17
4859 27 C 19.1956 16.6311 23.395 -0.000935558 -0.00203004 -0.000726142 17
4860 28 C 18.2179 17.6066 23.5924 0.000118128 -0.00152786 0.00335549 17
4861 29 C 17.292 17.5089 24.6475 -0.0027506 -2.25236e-05 -0.00225983 17
4862 30 C 19.9829 16.7495 22.2209 -0.000219403 0.000865852 -0.00546638 17
4863 31 C 20.4841 16.9135 21.1437 0.00180716 -0.00168739 -0.00018264 17
4864 32 C 19.1319 13.6824 18.7271 -0.00236448 0.00165575 -0.00304049 17
4865 33 C 19.3554 13.7705 17.3494 -0.00371724 -9.79738e-05 -0.00032664 17
4866 34 C 19.9145 14.9025 16.7344 0.00196321 0.00520448 0.00454925 17
4867 35 C 20.2962 15.9532 17.5558 -0.0011475 -0.00171979 -0.00502059 17
4868 36 C 20.1437 15.8897 18.9365 0.00143541 0.00166013 0.00491855 17
4869 37 C 19.5164 14.7754 19.5374 -0.00137787 -0.00369386 -3.36274e-05 17
4870 38 C 20.7602 17.0855 19.6983 0.0065435 -0.00188241 0.00554524 17
4871 39 C 24.594 16.9293 19.2115 -0.00239915 -0.00467236 0.00208744 17
4872 40 C 24.6535 16.931 17.8034 0.00252216 0.000463246 -0.00172325 17
4873 41 C 23.4924 17.0974 17.0589 0.00383923 -0.00142682 -0.00280046 17
4874 42 C 22.2604 17.2062 17.748 0.00420136 -0.00200675 0.00261688 17
4875 43 C 22.213 17.1552 19.1668 -0.0021455 0.0026836 0.00378679 17
4876 44 C 23.3817 17.0606 19.9202 -0.00455467 -0.000254208 -0.000254794 17
4877 45 C 18.7814 20.3611 19.2383 -0.000276639 0.000783939 -0.00367953 17
4878 46 C 18.8255 20.4392 17.8398 -0.0016738 0.000653597 0.000400353 17
4879 47 C 19.525 19.4878 17.0763 -0.00345708 -1.18149e-05 0.0030743 17
4880 48 C 20.164 18.433 17.7385 -0.00324345 0.000916817 -0.00574612 17
4881 49 C 20.9182 17.2651 17.0686 -0.000970565 -0.00267939 0.00315821 17
4882 50 C 20.0102 18.326 19.1485 -0.00126021 0.0028664 -0.00213456 17
4883 51 C 19.3439 19.2948 19.913 0.00317408 -0.00303426 0.000536128 17
4884 52 O 23.448 17.0609 15.6984 0.00104223 -0.000575987 -0.000530603 17
4885 53 O 20.0044 15.0281 15.373 0.000260357 -0.00018918 0.00209696 17
4886 54 O 19.603 19.5873 15.7394 -0.0006171 -0.00167434 -0.00128603 17
4887 55 C 15.5912 16.6953 31.7734 0.000697172 -0.000707375 -0.00364537 17
4888 56 C 16.3071 15.4261 31.3486 0.00213288 0.00160176 0.002004 17
4889 57 C 24.387 17.7972 14.9511 -0.00061018 8.67859e-05 -0.00284761 17
4890 58 C 23.9397 17.879 13.4444 -0.000494031 -0.00317649 -0.00164164 17
4891 59 C 22.7177 17.0664 13.0105 0.0026787 -0.000262971 0.0028647 17
4892 60 C 22.2869 17.4117 11.5563 0.000250175 0.00473623 -0.00285587 17
4893 61 C 23.0333 16.7341 10.4228 -0.00135148 0.00279463 0.00667587 17
4894 62 C 22.6705 17.4931 9.08301 0.00447725 -0.00324842 -0.000207379 17
4895 63 C 22.9707 16.7228 7.79023 0.00163875 -0.000650978 0.00244563 17
4896 64 C 22.7966 17.6001 6.54541 0.000318731 0.000587572 -0.000559822 17
4897 65 C 22.9488 16.7817 5.20463 -0.00176465 0.000468484 0.00154968 17
4898 66 C 23.216 17.6859 3.98322 8.90773e-05 -0.00167025 0.00150432 17
4899 67 C 23.5017 16.8626 2.68806 0.00120564 0.0013455 0.00336551 17
4900 68 C 22.2853 16.4046 1.86692 -0.00383783 0.000111024 4.39645e-05 17
4901 69 F 20.1026 14.4749 23.9248 0.00139992 -0.0013426 -0.00156973 17
4902 70 C 21.1397 14.5449 14.6223 0.00250394 -0.000209897 -0.0006978 17
4903 71 C 21.2941 13.0187 14.6397 0.00100415 0.0033703 4.53429e-06 17
4904 72 C 22.3835 12.4412 13.6668 0.000774248 -0.0012707 0.000416733 17
4905 73 C 22.1014 12.605 12.1321 0.00386501 -0.00125917 -0.00400722 17
4906 74 C 23.1597 11.8896 11.2627 -0.00303138 0.000517663 0.00196618 17
4907 75 C 22.7046 11.5931 9.82667 -0.00168454 -0.00148272 0.00174667 17
4908 76 C 23.0158 12.7042 8.80987 0.00232192 0.00190106 0.00403838 17
4909 77 C 22.708 12.1512 7.40796 0.000524057 -0.0017956 0.0010512 17
4910 78 C 22.8719 13.0985 6.23506 5.09112e-05 0.00436774 0.00170163 17
4911 79 C 22.484 12.3855 4.9039 -0.00416104 -0.00423001 -0.00117159 17
4912 80 C 22.7017 13.2753 3.67494 0.00329915 -0.00213309 0.000975761 17
4913 81 C 22.3721 12.657 2.28443 0.00531498 -0.000757825 -0.00458342 17
4914 82 C 18.4524 19.4398 14.965 0.000158591 -0.000682743 -0.000252064 17
4915 83 C 18.7199 19.6966 13.4235 0.000977308 -0.00203064 -0.00135092 17
4916 84 C 19.2149 18.4699 12.7133 -0.000779171 -0.00192295 0.0010429 17
4917 85 C 18.7181 18.4334 11.2541 -0.00148735 0.00497683 -0.00252703 17
4918 86 C 19.3628 19.3734 10.2644 0.000660979 0.000643212 -0.00151833 17
4919 87 C 18.7933 19.2896 8.83654 0.00287688 0.00170325 -8.33101e-05 17
4920 88 C 19.7267 19.7744 7.72297 0.00584068 -8.56946e-05 -0.000992465 17
4921 89 C 19.0664 19.4836 6.34476 -0.00212158 -0.00236475 0.00224717 17
4922 90 C 19.9247 20.0665 5.18119 -0.00330711 0.00450425 -0.00405676 17
4923 91 C 19.1985 20.2478 3.82893 -0.000630263 -9.60918e-05 0.0043362 17
4924 92 C 19.282 19.0483 2.86509 0.00101501 -0.00228866 0.000883653 17
4925 93 C 18.6759 19.3938 1.53167 0.00289379 -0.00210599 -0.00263806 17
4926 94 C 11.3882 17.1182 33.3215 0.00264866 0.00177268 0.000519529 17
4927 95 C 11.2727 16.8456 34.844 -0.00217717 0.00125291 0.00239701 17
4928 96 C 9.8798 16.846 35.4451 0.000154569 0.00403938 0.00104492 17
4929 97 C 9.7471 16.5641 36.9895 0.000790247 -0.00046864 -0.00440648 17
4930 98 C 10.4454 17.6527 37.8492 5.34642e-05 0.00191741 0.00107157 17
4931 99 C 10.0511 17.6718 39.2817 -0.00422161 0.000868221 0.00017622 17
4932 100 C 9.70997 16.32 39.9827 8.68994e-05 -0.00208825 0.00398179 17
4933 101 C 9.59839 16.3783 41.5141 0.000671604 -0.00306433 0.00211618 17
4934 102 C 10.9287 16.7729 42.1922 0.000484645 -0.00103252 -0.000772027 17
4935 103 C 10.9979 16.3432 43.6898 0.00361955 -0.000764341 0.000561628 17
4936 104 C 9.94481 17.0169 44.5983 -0.00280581 0.000202638 -0.00102314 17
4937 105 C 10.1133 16.5599 46.0755 0.00130864 0.000157399 0.00445461 17
4938 106 C 17.405 20.3339 33.7818 0.000487709 0.000571969 0.00050753 17
4939 107 C 17.202 20.444 35.2942 0.000435609 0.00203649 0.00227347 17
4940 108 C 17.91 21.6486 35.9224 -0.00230164 0.00105171 0.000800111 17
4941 109 C 17.5718 21.8475 37.4149 -0.00147684 0.000408743 0.000361051 17
4942 110 C 17.9711 20.6787 38.3265 -0.00264498 0.00271828 -0.00325613 17
4943 111 C 18.3216 20.9953 39.7776 -0.000311766 0.000106332 0.00361631 17
4944 112 C 17.3701 22.0127 40.5026 -0.0036915 0.00105234 0.00145526 17
4945 113 C 17.755 22.2096 42.0066 -0.000885862 0.00197444 0.00179899 17
4946 114 C 18.0191 20.9372 42.831 0.000440981 -0.00160527 -5.04385e-05 17
4947 115 C 18.5695 21.2218 44.2451 -0.00130151 0.0044024 -0.000888789 17
4948 116 C 17.5999 21.9723 45.1729 0.000609395 0.00144097 0.00145736 17
4949 117 C 18.1355 22.049 46.5997 0.00469827 -0.00172318 0.00202097 17
4950 118 C 17.3987 13.3706 34.3712 0.00308232 -0.00225313 0.000633058 17
4951 119 C 16.8686 13.2933 35.8007 0.00266329 -0.00116019 -0.00489638 17
4952 120 C 17.7094 12.3959 36.7338 0.00395725 -0.000795924 -0.000392853 17
4953 121 C 17.0357 12.272 38.1064 -0.000187791 -0.0011248 0.00282872 17
4954 122 C 17.9925 11.9981 39.2727 0.00161572 -0.00046808 0.00158769 17
4955 123 C 17.2147 11.8439 40.5981 -0.00168081 0.00123117 0.000505224 17
4956 124 C 18.0656 12.2541 41.8055 0.000885635 -0.00305713 -0.00370751 17
4957 125 C 17.3554 11.8646 43.1025 0.000709318 -0.00324559 0.00174447 17
4958 126 C 18.037 12.4734 44.3509 0.00342009 -0.00191596 -0.000689922 17
4959 127 C 17.5207 11.8876 45.6388 -0.000510852 -0.00253308 0.00572917 17
4960 128 C 18.1948 12.4021 46.9135 -0.00320159 -0.000738622 0.00417777 17
4961 129 C 17.5857 11.7535 48.1632 -0.00315312 0.000506 0.00354156 17
4962 130 F 18.3507 14.3055 26.0025 -0.00086829 -0.00244421 -0.000753218 17
4963 131 H 17.8502 20.9161 31.4812 0.00297331 -0.00220573 0.00647348 17
4964 132 H 18.1675 20.6542 29.0486 0.0214854 -0.0181744 -0.00574732 17
4965 133 H 17.3719 18.6268 27.9434 -0.00706137 -0.0126953 0.000108211 17
4966 134 H 10.8771 16.9969 30.8637 -0.00222046 0.0101831 0.00672805 17
4967 135 H 11.2527 16.9315 28.4552 -0.0068699 -0.000459595 0.00392884 17
4968 136 H 13.5487 16.653 27.5654 0.00695861 -0.00456188 0.0014095 17
4969 137 H 18.0256 12.617 32.1583 0.00858404 0.00103217 -0.00363448 17
4970 138 H 18.2202 12.4199 29.7404 0.0101743 0.00993912 0.000693693 17
4971 139 H 17.2608 14.0607 28.2513 0.00827341 0.00466988 0.00136001 17
4972 140 H 18.1459 18.4682 22.9354 -0.00306874 -0.00111578 0.00423858 17
4973 141 H 16.5806 18.2942 24.8854 -0.00320984 -0.00202211 0.00298982 17
4974 142 H 18.7208 12.7831 19.176 -0.000268 0.00509015 0.00577074 17
4975 143 H 19.1215 12.9219 16.7134 5.45993e-06 0.00322158 -0.00614271 17
4976 144 H 19.2856 14.7048 20.5962 -0.00228803 -0.00446078 -0.000281061 17
4977 145 H 25.5243 16.909 19.7714 -0.00806865 -0.0146827 0.0111022 17
4978 146 H 25.5927 16.6883 17.3152 0.00349537 0.0138107 -0.00642891 17
4979 147 H 23.3776 17.0227 21.0056 -0.00715551 0.005128 -8.00507e-05 17
4980 148 H 18.3381 21.187 19.7867 -0.000210035 0.00766219 -0.0139471 17
4981 149 H 18.3258 21.246 17.3119 0.00148521 0.0024055 9.08457e-05 17
4982 150 H 20.9442 17.3203 15.9733 0.00450737 0.000747186 0.00346784 17
4983 151 H 19.4045 19.2315 20.9955 0.0122244 -0.0116038 -0.000430866 17
4984 152 H 15.3639 16.8204 32.8393 -0.0101273 -0.00468428 -0.00546714 17
4985 153 H 24.4421 18.8204 15.3428 0.00407371 0.00224508 -0.00912475 17
4986 154 H 25.3875 17.3584 15.0509 -0.00638348 -0.0131422 -0.0031652 17
4987 155 H 24.7983 17.6312 12.8082 0.00197838 -0.00434181 0.00214591 17
4988 156 H 23.7618 18.9399 13.2293 -0.00441098 -0.00174801 0.00867785 17
4989 157 H 21.8892 17.3073 13.688 -0.00157726 -0.000432154 -0.00227876 17
4990 158 H 22.8642 15.9854 13.1258 -0.00834541 -0.00266661 -0.00556931 17
4991 159 H 22.3438 18.4953 11.3956 0.0104953 0.00363933 -0.00665428 17
4992 160 H 21.239 17.12 11.4142 0.00352746 -0.0065007 -0.00399713 17
4993 161 H 22.7352 15.6798 10.3686 0.00562938 0.00109822 0.00145409 17
4994 162 H 24.1042 16.8891 10.603 -0.000216543 -0.000508847 0.0027324 17
4995 163 H 23.2982 18.3927 9.09125 0.0144532 -0.0101117 -0.0100403 17
4996 164 H 21.6185 17.8028 9.10958 0.00582262 0.00144227 -0.00166078 17
4997 165 H 22.3393 15.8287 7.71784 -0.00433917 0.00278389 0.0122409 17
4998 166 H 24.0096 16.3749 7.84692 0.00325957 0.00381632 9.09068e-05 17
4999 167 H 23.5838 18.3607 6.61701 -0.00380245 0.00430794 0.00520715 17
5000 168 H 21.8167 18.0926 6.57216 -0.00385909 -0.00753601 -0.0041354 17
5001 169 H 22.039 16.1882 5.05206 -0.00159677 -0.00291442 0.013644 17
5002 170 H 23.7939 16.0953 5.33937 0.00445841 0.00587209 -0.0100173 17
5003 171 H 24.0743 18.3447 4.16401 -0.00388271 0.00123451 0.00972222 17
5004 172 H 22.3793 18.3411 3.71128 0.00542408 0.00777334 0.00788564 17
5005 173 H 24.0436 15.9399 2.92987 -0.00519252 -0.00129177 0.00766663 17
5006 174 H 24.1433 17.4772 2.04454 0.0102679 -0.0125094 -0.000810981 17
5007 175 H 21.4938 16.009 2.51526 0.00886542 -0.00427364 0.0128763 17
5008 176 H 22.5837 15.6522 1.12649 -0.011405 -0.00273258 -0.000113108 17
5009 177 H 21.8899 17.202 1.22574 0.0043772 0.00283391 -0.00164538 17
5010 178 H 21.0961 14.8934 13.583 0.0120378 -0.0109075 -0.00469759 17
5011 179 H 22.0612 14.959 15.0497 -0.00201727 0.002406 0.00649897 17
5012 180 H 21.4694 12.689 15.6712 0.00392299 0.00745173 0.000814174 17
5013 181 H 20.3073 12.6438 14.3411 5.98405e-05 0.00291015 0.00372398 17
5014 182 H 23.3547 12.9056 13.8779 -0.00144014 0.00206934 0.00324157 17
5015 183 H 22.5305 11.3804 13.9042 0.000693801 0.000792003 0.00969558 17
5016 184 H 21.1208 12.1624 11.9178 -0.00381043 0.0204057 -0.0135567 17
5017 185 H 22.0479 13.6711 11.8794 0.0158575 0.000525389 0.000970864 17
5018 186 H 24.0711 12.4987 11.3043 -0.0144958 0.0188572 -0.0158333 17
5019 187 H 23.4274 10.9549 11.7708 -0.00313744 -0.00256497 -0.00366778 17
5020 188 H 23.3502 10.74 9.58437 0.00479638 0.00615232 -0.00784805 17
5021 189 H 21.6607 11.2576 9.79255 -0.00789588 0.0171587 0.00837968 17
5022 190 H 22.439 13.6237 8.96861 -0.00234025 -0.000114514 -0.00118031 17
5023 191 H 24.0871 12.9377 8.84431 0.00081091 0.00838952 0.00696536 17
5024 192 H 23.3606 11.2811 7.26573 0.00204271 -0.00117377 0.00417139 17
5025 193 H 21.6509 11.8584 7.38882 0.00269915 -0.00886835 -0.0103136 17
5026 194 H 22.27 14.0066 6.36368 0.00244813 0.00560408 0.00419287 17
5027 195 H 23.9263 13.3996 6.20147 0.00399545 -0.0103662 -0.00648984 17
5028 196 H 23.0654 11.466 4.76286 0.00861928 0.00688302 -0.0210455 17
5029 197 H 21.4463 12.0294 4.90636 -0.00832324 0.00791295 -0.0049988 17
5030 198 H 22.1404 14.2126 3.77327 0.00956524 0.00292732 -0.0112433 17
5031 199 H 23.7459 13.6054 3.61101 0.00346132 -0.00196184 0.00459386 17
5032 200 H 22.7576 13.2655 1.45705 0.00254127 -0.00413125 -0.00836098 17
5033 201 H 22.8548 11.6823 2.1415 0.00355453 0.0012565 -0.0244265 17
5034 202 H 21.3015 12.4545 2.15705 0.00218075 0.0139573 -0.00146021 17
5035 203 H 18.1031 18.4083 15.0972 0.00875636 -0.00677424 -0.0248407 17
5036 204 H 17.6924 20.1553 15.3023 0.00712126 0.00572111 0.00184643 17
5037 205 H 17.846 20.1285 12.9204 0.00486584 0.00866162 0.00104184 17
5038 206 H 19.5125 20.4524 13.3618 -0.0127774 0.0126558 0.00173564 17
5039 207 H 20.3117 18.4703 12.7333 -0.00104799 -0.00372849 0.0151451 17
5040 208 H 18.903 17.5711 13.2594 -0.00527064 0.00879299 0.0161348 17
5041 209 H 18.8333 17.395 10.9196 0.0129576 0.00617311 -0.00118619 17
5042 210 H 17.6289 18.5517 11.1992 -0.00364982 -0.011167 0.00503201 17
5043 211 H 19.2494 20.3907 10.6588 -0.0127741 0.000774187 -0.00575678 17
5044 212 H 20.4491 19.221 10.2485 0.00182016 0.00818572 0.00477691 17
5045 213 H 18.5903 18.2342 8.61694 0.00821167 -0.000221969 0.00424867 17
5046 214 H 17.8289 19.8027 8.73518 0.00583256 0.00588243 -0.00713759 17
5047 215 H 19.923 20.8466 7.8461 -0.016079 0.00334584 0.00394805 17
5048 216 H 20.7171 19.3089 7.79876 0.00976145 0.011263 0.0175076 17
5049 217 H 18.8961 18.4023 6.27186 -0.00226733 -0.00200179 -0.00265623 17
5050 218 H 18.0566 19.9122 6.35544 0.00241627 0.00878326 -0.019984 17
5051 219 H 20.1908 21.0834 5.49498 0.00925408 0.00200195 -0.00664669 17
5052 220 H 20.8521 19.5123 4.99081 0.00234263 0.0127038 -0.000401536 17
5053 221 H 18.1627 20.5714 3.98977 -0.000141294 0.00409428 -0.000884127 17
5054 222 H 19.627 21.1382 3.3525 -0.0101971 0.00241332 0.000400425 17
5055 223 H 20.3231 18.7544 2.68329 -0.00290538 -0.00862526 -0.0113544 17
5056 224 H 18.7225 18.2109 3.29997 0.000996726 -0.00554109 -0.00541079 17
5057 225 H 17.6169 19.6735 1.59283 0.00666156 0.0129361 -0.00598649 17
5058 226 H 19.1731 20.2309 1.02631 -0.0136932 0.00361735 -0.00955326 17
5059 227 H 18.7398 18.5759 0.803376 0.0156586 -0.00154417 -0.00213911 17
5060 228 H 11.0477 18.1562 33.2218 -0.00505384 -0.00243491 -0.016663 17
5061 229 H 10.6595 16.4493 32.8471 -0.00326558 0.00641266 0.00301651 17
5062 230 H 11.6414 15.8273 35.0185 0.0040343 0.00294388 -0.000864848 17
5063 231 H 11.8735 17.6202 35.3364 -0.00320894 -0.00290514 0.0101613 17
5064 232 H 9.44899 17.8382 35.2627 -0.00792263 -0.000281589 -0.00334282 17
5065 233 H 9.26706 16.1651 34.8414 0.013288 -0.000455238 -0.00724229 17
5066 234 H 8.68975 16.5589 37.2817 -0.00011182 -0.00623793 -0.0078097 17
5067 235 H 10.2072 15.6024 37.2481 -0.00763171 -0.00824892 -0.018448 17
5068 236 H 11.5354 17.5833 37.7473 0.000193131 0.00718295 -0.000974867 17
5069 237 H 10.0903 18.5897 37.4028 -0.0118551 -0.00189847 0.00246797 17
5070 238 H 10.8164 18.1871 39.8753 0.00281 -0.000265012 -0.00793904 17
5071 239 H 9.16126 18.3128 39.3088 -0.00221613 0.00357659 0.00199208 17
5072 240 H 8.7601 15.916 39.6112 -0.0052188 0.00886336 0.00564418 17
5073 241 H 10.493 15.5943 39.7306 0.00902976 0.00839535 0.00155985 17
5074 242 H 8.78676 17.0734 41.7622 0.00587372 0.00107518 0.00748408 17
5075 243 H 9.2502 15.4294 41.9404 -0.00358976 -2.67511e-05 0.00542448 17
5076 244 H 11.7747 16.3767 41.617 0.00887179 0.0156394 7.19748e-05 17
5077 245 H 10.974 17.8667 42.1208 -0.00134468 -0.00170969 -0.0124799 17
5078 246 H 10.824 15.2618 43.751 0.00252328 -0.0012377 -0.0107236 17
5079 247 H 11.9664 16.6694 44.0887 -0.00273989 0.000628375 0.01489 17
5080 248 H 9.94211 18.1139 44.5924 -0.0231554 0.000108863 -0.0123863 17
5081 249 H 8.94151 16.7085 44.2794 0.00248336 -0.00891879 -0.00882292 17
5082 250 H 9.42539 17.0587 46.7693 -0.00761813 -0.000376563 -0.00404439 17
5083 251 H 10.0044 15.4734 46.181 -0.00182253 -0.000695424 -0.00766704 17
5084 252 H 11.1176 16.7872 46.454 0.00184233 -0.00619968 0.00686665 17
5085 253 H 18.4805 20.2932 33.5699 -0.00150243 -0.00409115 -0.00874037 17
5086 254 H 16.9878 21.2131 33.2756 0.00115991 0.000666244 0.000115598 17
5087 255 H 16.1306 20.4733 35.5284 0.000701055 -0.00292788 0.00413025 17
5088 256 H 17.6125 19.537 35.7549 -0.00622885 -8.0725e-05 0.0040348 17
5089 257 H 18.9907 21.5444 35.7655 -0.00190131 -0.00327834 0.00647287 17
5090 258 H 17.6873 22.5296 35.3079 0.00140399 0.00287077 0.00206481 17
5091 259 H 18.0066 22.7661 37.8278 0.00295659 -0.00451403 0.00666937 17
5092 260 H 16.4898 21.9885 37.5282 -0.00137307 0.00770218 -0.0077055 17
5093 261 H 17.2214 19.8798 38.2714 0.0124089 -0.0112333 -0.00606232 17
5094 262 H 18.8785 20.2822 37.8544 0.0012772 0.0123145 -0.0038074 17
5095 263 H 18.2964 20.0232 40.2853 -0.00493458 -0.00249146 -0.0015676 17
5096 264 H 19.3482 21.3779 39.8328 -0.000659291 0.00246287 -0.0062291 17
5097 265 H 17.4107 22.9806 39.988 -0.0169159 0.00323187 0.00455127 17
5098 266 H 16.3522 21.6044 40.4805 -0.00182155 -0.00452655 0.0172109 17
5099 267 H 18.6334 22.8662 41.9803 -0.00753581 0.0105083 -0.00858552 17
5100 268 H 16.9531 22.7493 42.5254 -0.0109916 -0.00463038 -0.00695349 17
5101 269 H 17.1154 20.3206 42.9114 0.000276921 -0.00286559 -0.0116392 17
5102 270 H 18.7929 20.2663 42.4378 0.00774525 0.014645 -0.0131986 17
5103 271 H 18.8731 20.2628 44.6828 -0.00443173 0.00416551 0.000758856 17
5104 272 H 19.4686 21.8373 44.1178 -0.00374821 0.00933594 0.00568305 17
5105 273 H 17.5851 22.9807 44.7414 -0.000763306 0.00180578 0.00236668 17
5106 274 H 16.5881 21.5498 45.1399 -0.00209924 0.00781081 0.00301466 17
5107 275 H 17.3946 22.5677 47.2204 0.0108278 -0.00199072 0.00955413 17
5108 276 H 18.2194 21.0636 47.0743 0.0139579 0.00146349 0.00700975 17
5109 277 H 19.1085 22.5509 46.6696 0.00243902 0.00305748 -0.000914119 17
5110 278 H 17.2976 12.3492 33.9839 -0.00159865 0.0026792 -0.0111359 17
5111 279 H 18.4688 13.6113 34.3484 0.00193401 0.00330253 0.00534824 17
5112 280 H 15.8624 12.8565 35.7923 0.000335768 0.00416822 -0.00311521 17
5113 281 H 16.811 14.2666 36.3034 0.00216262 -0.00781004 0.00796445 17
5114 282 H 18.6687 12.8697 36.9761 0.00965926 -0.0150584 0.00498627 17
5115 283 H 17.9793 11.4174 36.3178 0.00147612 0.00531077 -0.0162903 17
5116 284 H 16.2407 11.5202 38.0282 0.000203843 -0.00295788 0.0166766 17
5117 285 H 16.5459 13.2066 38.4065 -0.00597645 -0.00128159 -0.00617221 17
5118 286 H 18.6822 12.8447 39.3776 -0.0100508 0.00995179 -0.00598843 17
5119 287 H 18.6613 11.145 39.1044 0.000569454 -0.00266879 0.00857706 17
5120 288 H 16.8924 10.8006 40.7035 0.00563445 -0.000158185 0.00913402 17
5121 289 H 16.3141 12.4669 40.5335 -0.00990501 -0.0105469 0.00159293 17
5122 290 H 18.3153 13.3216 41.7668 -0.0102981 -0.000541801 -0.00643255 17
5123 291 H 18.9909 11.6652 41.7889 0.00163135 -0.00227855 0.00990185 17
5124 292 H 17.3467 10.7716 43.1949 -0.014824 -0.0033401 -0.00100865 17
5125 293 H 16.3253 12.2412 43.0832 0.00447577 0.00754783 0.0106644 17
5126 294 H 17.9915 13.5692 44.3269 0.0109331 -0.00201906 -0.0211882 17
5127 295 H 19.1217 12.3098 44.3398 0.00498347 0.00919404 -0.0134088 17
5128 296 H 17.557 10.7916 45.6651 -0.00799939 -0.00303709 -0.00529661 17
5129 297 H 16.4505 12.1131 45.7235 -0.00225366 -0.00394791 -0.0127282 17
5130 298 H 18.0487 13.4893 46.9207 0.00325455 0.000143249 0.00208751 17
5131 299 H 19.2697 12.1904 46.8574 0.000680571 0.015544 0.0173325 17
5132 300 H 17.6838 10.661 48.1498 0.00429254 0.00115696 0.00513858 17
5133 301 H 16.5406 12.074 48.2554 0.000365127 0.0111324 0.00680146 17
5134 302 H 18.0457 12.2056 49.0506 -0.00225259 -0.00410118 0.00540773 17
5135 1 C 21.2213 26.9499 31.4802 -0.000161621 0.00274866 0.000787154 18
5136 2 C 21.3629 26.8664 30.0918 0.00164908 -0.00291912 0.00179759 18
5137 3 C 20.8836 25.7741 29.4279 0.00490961 -1.6387e-05 0.00188479 18
5138 4 C 20.2338 24.7468 30.1553 0.000450168 0.00142896 -0.00299651 18
5139 5 C 20.1059 24.7997 31.5517 -0.000578858 -0.00578471 -0.00258607 18
5140 6 C 20.586 25.9544 32.2157 -0.00145824 0.000951319 0.00305625 18
5141 7 C 15.6896 23.3817 30.961 0.00368114 -0.00356093 -0.00129648 18
5142 8 C 15.8452 23.2545 29.5681 -0.00354349 -0.00327204 -0.00229606 18
5143 9 C 17.1418 23.2578 29.047 -0.00401891 1.55541e-05 0.00227778 18
5144 10 C 18.2316 23.3956 29.9105 0.00534228 0.00265387 0.000415008 18
5145 11 C 18.0679 23.4319 31.329 0.00149685 -0.00141248 0.00174544 18
5146 12 C 16.7649 23.4733 31.8556 -0.00429635 0.00205717 0.000190717 18
5147 13 C 21.4568 20.1834 31.6591 0.00102289 -0.000287412 0.00121976 18
5148 14 C 21.5808 20.2318 30.254 0.00211055 0.000509206 -0.000680278 18
5149 15 C 21.0765 21.3193 29.5357 4.82626e-05 -0.00131569 -0.000747957 18
5150 16 C 20.3527 22.3018 30.2313 -0.00114558 -0.000693998 -0.000332995 18
5151 17 C 19.6628 23.4777 29.5087 0.000165113 0.00282265 -0.00160338 18
5152 18 O 20.7121 21.0984 33.7414 -0.00421373 0.00120817 -0.00352907 18
5153 19 O 16.5505 23.5413 33.2271 -0.00137874 -0.00282049 0.000583322 18
5154 20 O 20.528 26.1252 33.5843 0.0017489 0.000334229 -0.00264151 18
5155 21 C 20.751 21.1969 32.3477 0.00170773 0.00315955 0.00235567 18
5156 22 C 19.9088 23.5038 28.0574 -0.00366462 4.74041e-05 0.00451569 18
5157 23 C 20.3185 23.5531 26.9209 0.00282448 -0.00194664 0.00289149 18
5158 24 C 21.0742 23.6279 25.6998 -0.00265489 0.00364138 -0.0026082 18
5159 25 C 21.4434 24.9056 25.2064 0.000382912 -0.00169213 -0.00209382 18
5160 26 C 22.4037 24.9837 24.208 0.000263757 0.00380069 0.00224831 18
5161 27 C 23.0308 23.8288 23.659 -0.0038222 -0.00257767 0.00117343 18
5162 28 C 22.6233 22.5906 24.1344 0.000488295 -0.000678347 0.0018351 18
5163 29 C 21.6536 22.4614 25.1701 -0.000643444 0.00231337 0.000514601 18
5164 30 C 23.848 23.856 22.4707 0.00285118 -0.0011664 0.00325238 18
5165 31 C 24.3709 23.8631 21.3886 0.00380094 -0.00218772 -0.000442231 18
5166 32 C 22.488 20.8348 18.8627 0.00110723 0.00104487 -0.00170828 18
5167 33 C 22.5308 21.0666 17.4679 -0.000328416 -0.000294049 -0.00293508 18
5168 34 C 23.2608 22.1329 16.9445 -0.00338004 0.00145341 0.000414682 18
5169 35 C 23.9768 22.9573 17.7953 -0.00292938 -0.0016205 0.00170076 18
5170 36 C 23.8374 22.8316 19.1824 -0.000937273 -0.00235674 0.000755843 18
5171 37 C 23.099 21.7569 19.7464 0.00337292 -0.00476116 -0.0018167 18
5172 38 C 24.6614 23.8739 19.9546 0.000950801 -0.0044793 0.00433193 18
5173 39 C 28.5035 23.5266 19.6181 0.00192888 -0.00208748 0.00200127 18
5174 40 C 28.6128 23.5466 18.1951 0.00333899 0.0032332 -0.00236205 18
5175 41 C 27.4546 23.6194 17.3824 -8.66469e-05 -0.000669208 -0.0019867 18
5176 42 C 26.1925 23.7325 18.0365 -0.000392493 -0.000995489 0.00269595 18
5177 43 C 26.0983 23.6848 19.4349 0.00152349 -0.00104086 -0.00128585 18
5178 44 C 27.2524 23.5771 20.2658 -0.00325446 -0.00417314 0.00252588 18
5179 45 C 23.2893 27.5189 19.4058 -0.00035344 0.00177883 -0.00433607 18
5180 46 C 23.4695 27.5787 18.0194 0.00687736 0.000547033 -0.000138581 18
5181 47 C 24.0678 26.5356 17.2986 -0.00176576 -0.00819713 0.00562604 18
5182 48 C 24.3915 25.3726 17.9607 0.00132486 0.00258064 0.00537991 18
5183 49 C 24.9202 24.0945 17.2979 0.000439686 -0.00281061 0.00108556 18
5184 50 C 24.2291 25.2857 19.3809 -0.00041306 0.000602753 0.00499647 18
5185 51 C 23.7101 26.3674 20.0998 -0.000986731 0.0012767 0.000405574 18
5186 52 O 27.5985 23.8756 16.017 0.00154814 -0.00159974 0.00014976 18
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5188 54 O 24.1779 26.7128 15.9785 -0.000537729 -0.00189449 0.00266809 18
5189 55 C 19.4093 23.547 32.1307 0.000537375 0.000902012 -0.00391253 18
5190 56 C 20.2317 22.3081 31.6252 0.00217464 0.000593878 0.00309967 18
5191 57 C 27.6814 22.751 15.0866 -0.00278201 0.00384221 0.00138324 18
5192 58 C 26.5537 22.8745 14.0278 -0.00453253 0.00593145 -0.00173196 18
5193 59 C 27.115 23.498 12.7525 -0.00143669 0.00165603 -0.000593693 18
5194 60 C 26.1641 23.5054 11.5383 0.000692511 -0.00294379 -0.00032817 18
5195 61 C 26.8591 23.8722 10.223 -0.00237833 0.000454329 0.000384912 18
5196 62 C 26.0359 23.6722 8.94207 -0.00112044 -0.0044693 -0.000601542 18
5197 63 C 26.8983 24.0238 7.74332 0.00129268 -0.000480041 0.0029068 18
5198 64 C 26.1392 23.8961 6.39964 -0.00511219 -0.00378433 -0.00130316 18
5199 65 C 27.0971 24.0362 5.20306 -0.00113713 0.00079445 -0.000198463 18
5200 66 C 26.3818 23.7331 3.84853 0.00229347 -0.00249721 -0.00115789 18
5201 67 C 27.1648 24.1995 2.61474 0.00299778 -0.000408634 -0.00377953 18
5202 68 C 26.6401 23.5429 1.32606 0.00248446 -0.0017474 -0.0027544 18
5203 69 F 22.7739 26.1938 23.7138 0.00536855 -0.00279485 -0.000710848 18
5204 70 C 23.3589 21.3522 14.6352 -0.000146278 -0.00157462 0.000945956 18
5205 71 C 23.1401 22.0952 13.3097 -0.000726986 -0.000296609 0.00300529 18
5206 72 C 23.1258 21.198 12.0598 0.000358875 -0.00455495 0.000935913 18
5207 73 C 22.9279 22.0482 10.8125 0.00293668 -0.000935237 -0.00559024 18
5208 74 C 23.0932 21.2867 9.50098 -0.000171843 -0.00208485 -0.00344901 18
5209 75 C 22.8117 22.1674 8.24545 9.51713e-06 0.00179746 0.003482 18
5210 76 C 23.0819 21.3867 6.97043 -0.00268622 0.000527399 0.000785651 18
5211 77 C 22.8235 22.205 5.70802 -0.00401354 -0.0011934 -0.00115246 18
5212 78 C 23.1716 21.3444 4.44475 -0.00184125 -0.00206856 0.000469209 18
5213 79 C 22.6495 21.9476 3.15654 -0.000106007 0.00372895 0.000884144 18
5214 80 C 22.57 21.027 1.93004 -0.00126675 0.00366758 0.00664093 18
5215 81 C 23.9614 20.5197 1.57236 -0.00412297 -0.000331241 0.00122057 18
5216 82 C 25.4621 27.0934 15.4829 0.00182468 0.000610161 0.00413194 18
5217 83 C 25.4052 27.0828 13.9281 0.000466946 0.00328294 0.00116764 18
5218 84 C 26.2757 28.1104 13.2246 0.00130465 0.00192155 -0.00119038 18
5219 85 C 26.5096 27.7792 11.7035 0.000677652 0.0035795 0.00105006 18
5220 86 C 25.2768 28.1535 10.8683 0.000981628 -0.00160827 0.00168826 18
5221 87 C 25.3789 27.7277 9.35104 -0.00380698 -0.00416732 -0.00100555 18
5222 88 C 26.4835 28.5189 8.57198 0.00115877 -0.00657733 -0.00203708 18
5223 89 C 26.3001 28.6248 7.04973 -0.00325298 0.00674192 -0.00337569 18
5224 90 C 26.1234 27.3218 6.33841 0.000614877 0.00179348 -0.00501152 18
5225 91 C 25.7495 27.4389 4.84799 0.00319332 -0.000911931 0.00335165 18
5226 92 C 26.6471 28.2307 3.8652 0.00303465 0.00198856 0.00133313 18
5227 93 C 26.085 28.2016 2.42603 -0.00197769 0.000915865 0.00559258 18
5228 94 C 15.2234 23.386 33.7262 0.000205641 0.00318526 0.00028731 18
5229 95 C 15.0251 23.6284 35.2537 -0.0012688 0.00547913 -0.00229265 18
5230 96 C 13.5521 23.5792 35.7081 -0.00389429 0.00417445 -0.00254851 18
5231 97 C 13.3709 23.4567 37.2427 -0.00211954 0.00314867 -0.00151066 18
5232 98 C 14.1167 24.5074 38.1267 0.00303747 0.00150337 -0.000661993 18
5233 99 C 14.5166 24.0476 39.558 -0.000615944 -0.00398755 0.00343233 18
5234 100 C 13.327 23.7614 40.4486 0.00189256 0.000893778 0.00320343 18
5235 101 C 13.6883 23.5012 41.921 -0.00193653 -0.00189037 0.00215693 18
5236 102 C 14.1531 24.7821 42.6974 0.0067832 -0.000590543 0.000531083 18
5237 103 C 14.516 24.4259 44.1632 0.0018322 -0.000220105 -0.000578405 18
5238 104 C 13.5783 23.5434 44.9411 0.00215362 -0.000175509 0.000635482 18
5239 105 C 14.0478 23.2971 46.3769 -0.000204393 0.00546897 -0.00353327 18
5240 106 C 20.6001 27.4739 34.1945 0.00224844 0.000781091 0.000329338 18
5241 107 C 20.7294 27.4757 35.7802 0.000831203 -0.00388078 -0.00155409 18
5242 108 C 21.6254 28.6198 36.3154 -0.000100366 0.00231465 0.00231999 18
5243 109 C 21.5177 28.8289 37.871 0.00445266 -0.00162241 0.00201526 18
5244 110 C 21.6603 27.5585 38.7342 -0.000261863 -0.000752641 -7.23342e-05 18
5245 111 C 22.1805 27.745 40.1825 0.0015717 -0.0037382 0.00147398 18
5246 112 C 21.2206 28.5417 41.0497 -0.00432075 -0.00182488 -0.00287057 18
5247 113 C 21.8214 28.8805 42.4482 -0.00305646 0.00218017 -0.000867597 18
5248 114 C 22.034 27.6577 43.3869 0.00191206 0.000488332 -0.000980768 18
5249 115 C 22.5198 28.0552 44.7587 0.00311572 -0.00227336 -0.00764617 18
5250 116 C 21.465 28.4786 45.7758 0.00342539 -0.00340487 -0.00137458 18
5251 117 C 22.0425 28.7818 47.1694 0.0041017 -0.000808587 -0.000985444 18
5252 118 C 21.4288 20.0243 34.431 -0.00486946 0.0017017 0.0040079 18
5253 119 C 20.9719 19.8855 35.8893 -0.00239845 -0.00188113 0.00148544 18
5254 120 C 21.7902 18.8698 36.6947 0.00203956 -0.00210222 -0.00372738 18
5255 121 C 21.3763 18.8779 38.2016 -0.00135916 0.00247302 -0.000580506 18
5256 122 C 22.3807 18.1545 39.0476 0.0028461 -0.00249593 0.00329263 18
5257 123 C 21.9779 17.9363 40.5195 0.00136752 -0.00105038 -0.00186056 18
5258 124 C 21.8464 19.1507 41.4228 -0.00310516 -0.0033322 -0.00157585 18
5259 125 C 21.4754 18.635 42.8166 0.0036286 -0.00224799 0.000244445 18
5260 126 C 21.8654 19.5272 44.0024 -0.00392451 -0.00102026 -0.0010874 18
5261 127 C 21.8111 18.7277 45.3331 -0.00241358 -0.00145383 -0.00286439 18
5262 128 C 22.3364 19.5406 46.5076 -0.00151879 0.00397703 -0.00296548 18
5263 129 C 22.3556 18.7807 47.8643 0.000458142 0.00178604 0.00523274 18
5264 130 F 20.9563 26.079 25.6991 -0.00343657 0.00169896 -0.00118803 18
5265 131 H 21.6207 27.859 31.9199 0.00350912 -5.58922e-05 0.003247 18
5266 132 H 21.715 27.697 29.4872 0.00701697 -0.0182078 -0.0160934 18
5267 133 H 21.0042 25.7182 28.3501 -0.0130034 -0.012679 0.000509834 18
5268 134 H 14.6554 23.3291 31.2884 0.00173206 -0.0133238 -0.00894565 18
5269 135 H 14.9853 23.2118 28.9062 -0.00412162 -0.0129661 -0.000908883 18
5270 136 H 17.2456 23.2397 27.9661 0.00570862 -0.0152333 0.00349216 18
5271 137 H 21.9516 19.3291 32.1116 0.00250587 -0.00185205 -0.00332624 18
5272 138 H 22.0808 19.4341 29.7126 0.00776239 0.00195253 0.00241343 18
5273 139 H 21.1324 21.2941 28.4515 0.00469089 0.016469 -0.000903531 18
5274 140 H 23.0288 21.6945 23.6739 0.00388989 0.0045172 -0.00527873 18
5275 141 H 21.4745 21.4637 25.5598 -0.0149741 0.00125026 -0.00885219 18
5276 142 H 21.9127 19.9848 19.2173 0.00986873 0.00215902 0.0150464 18
5277 143 H 22.0179 20.3606 16.8215 0.0148985 -0.0102353 -0.0041719 18
5278 144 H 23.1056 21.4923 20.7997 -0.00052244 -0.00887102 -0.00281366 18
5279 145 H 29.4217 23.5798 20.1955 3.62362e-05 0.00332989 0.00451595 18
5280 146 H 29.5746 23.5728 17.6913 0.0103674 0.00375862 0.0111135 18
5281 147 H 27.1627 23.5366 21.3473 -0.0106404 -0.000704491 0.00204564 18
5282 148 H 22.8021 28.3345 19.9318 0.0100875 0.00529436 -0.000121076 18
5283 149 H 23.0925 28.4098 17.4307 0.00341476 0.00438056 0.00752167 18
5284 150 H 25.0422 24.1724 16.2105 0.00580723 -0.0069126 0.00139122 18
5285 151 H 23.5216 26.3588 21.1692 0.0025633 0.0112828 0.00112559 18
5286 152 H 19.2522 23.5504 33.2164 0.0172944 -0.00241311 -0.00148718 18
5287 153 H 28.6866 22.7052 14.6498 -0.00132023 -0.00738533 0.00589419 18
5288 154 H 27.5931 21.8067 15.638 -0.008751 -0.00499193 -0.0147126 18
5289 155 H 25.7424 23.5478 14.3307 0.000623425 0.0055228 0.0128927 18
5290 156 H 26.1091 21.9058 13.7681 0.000553911 -0.000134582 0.0122896 18
5291 157 H 27.977 22.8785 12.4758 -0.00881841 -0.00450846 -0.00980147 18
5292 158 H 27.4679 24.5149 12.9641 0.00881431 -0.00170118 -0.0015098 18
5293 159 H 25.3646 24.2311 11.7323 0.00604032 0.00292892 -0.000258475 18
5294 160 H 25.6697 22.5372 11.3918 -0.00684786 0.000845689 -2.8661e-05 18
5295 161 H 27.7866 23.2912 10.1491 0.000856109 0.00515776 0.00384847 18
5296 162 H 27.2263 24.9049 10.2676 -0.0132537 0.00378786 0.0122929 18
5297 163 H 25.1622 24.3228 9.07171 -0.00285789 -0.0065228 -0.00201688 18
5298 164 H 25.6115 22.6619 8.88971 0.00350977 -0.00594341 -0.00926105 18
5299 165 H 27.7953 23.3927 7.71964 0.000241159 -0.00169634 -0.00467029 18
5300 166 H 27.2855 25.0485 7.80134 -0.00477214 0.00137069 0.0103458 18
5301 167 H 25.3049 24.6082 6.41627 0.00285098 0.00550012 0.000776269 18
5302 168 H 25.7162 22.8912 6.27866 0.00323201 -0.00583909 -0.0136704 18
5303 169 H 27.9115 23.313 5.33432 -0.00405777 -0.00273947 -0.00153874 18
5304 170 H 27.5667 25.0275 5.21774 -0.00105449 0.00075928 -0.000488756 18
5305 171 H 25.3799 24.1793 3.82515 0.00240721 -0.00183542 0.00663201 18
5306 172 H 26.2901 22.6453 3.7398 -0.0217985 -2.9431e-05 -0.00518029 18
5307 173 H 28.2323 23.9925 2.75934 0.00261405 -0.00428302 -0.00649059 18
5308 174 H 26.9892 25.2725 2.46857 0.00504526 0.00225869 0.0135565 18
5309 175 H 25.5888 23.7876 1.13083 0.00333741 0.00548921 0.00177068 18
5310 176 H 26.6738 22.4465 1.33792 -0.00149388 -0.00194766 -0.00925434 18
5311 177 H 27.209 24.0026 0.508441 0.00425032 -0.00879596 -0.00546199 18
5312 178 H 24.29 20.7729 14.6069 0.00525346 0.00695424 0.00450796 18
5313 179 H 22.489 20.6993 14.7782 0.00383968 -0.00757574 -0.00227 18
5314 180 H 22.1704 22.6077 13.3279 0.00201852 0.00481954 0.00497838 18
5315 181 H 23.9036 22.8816 13.2635 -0.00977122 0.00860058 0.00487805 18
5316 182 H 24.0939 20.6824 12.0784 0.002255 -0.00105286 -0.000755307 18
5317 183 H 22.2881 20.4995 12.1767 -0.0124547 0.00828355 -0.0141436 18
5318 184 H 21.8968 22.4122 10.9006 0.00515575 0.0029637 0.00438876 18
5319 185 H 23.6093 22.9069 10.7705 0.00669924 -0.00350802 0.00305173 18
5320 186 H 24.1354 20.9475 9.45399 0.00153722 0.00209223 0.00419872 18
5321 187 H 22.4497 20.3984 9.48913 0.00390937 -0.00504014 -0.0037586 18
5322 188 H 21.7322 22.3622 8.2602 0.000423357 0.00372747 0.00789343 18
5323 189 H 23.4245 23.0772 8.24232 0.00161406 0.000700284 -0.00280057 18
5324 190 H 24.082 20.9365 6.99643 -0.00196791 0.00163374 -0.00806828 18
5325 191 H 22.4409 20.4971 7.00491 0.00176318 -0.00234077 0.0102011 18
5326 192 H 21.7724 22.5187 5.69511 -0.00160575 0.00713077 0.00507538 18
5327 193 H 23.3976 23.1386 5.65968 -0.00662674 0.000403101 -0.00145082 18
5328 194 H 24.2575 21.2205 4.35066 -0.00452082 -0.0141724 -0.0146454 18
5329 195 H 22.6982 20.3548 4.4339 0.00516324 -0.00519067 -0.0297143 18
5330 196 H 21.6317 22.3162 3.33458 -0.00184057 -0.00128139 0.00133977 18
5331 197 H 23.284 22.8218 2.96506 5.01926e-05 0.00498917 0.00710595 18
5332 198 H 21.8933 20.176 2.07556 0.00616446 -0.00329936 0.000537323 18
5333 199 H 22.2364 21.5775 1.04173 0.00428001 -5.43192e-05 0.00223182 18
5334 200 H 24.4086 20.0443 2.45408 -0.016895 -0.00134079 0.00716279 18
5335 201 H 23.8957 19.6865 0.861809 -0.0104452 0.00597835 -0.00555904 18
5336 202 H 24.615 21.3541 1.28938 -0.012756 0.0058433 -0.000524459 18
5337 203 H 25.6788 28.1095 15.835 0.0240333 -0.00784242 0.014655 18
5338 204 H 26.198 26.3453 15.8025 -0.0027514 -0.012042 -0.0148643 18
5339 205 H 25.7625 26.0877 13.6355 0.00957215 0.0022213 0.0158448 18
5340 206 H 24.3885 27.1863 13.5294 0.00618171 -0.00742218 -0.0162391 18
5341 207 H 25.8346 29.1083 13.3397 -0.00488246 -0.00147808 0.004585 18
5342 208 H 27.241 28.1282 13.7456 -0.00262925 0.00347751 0.00603715 18
5343 209 H 27.3666 28.3732 11.3626 0.00581498 -0.000519231 0.00682048 18
5344 210 H 26.7583 26.7145 11.615 0.00932576 0.00642648 -0.00872394 18
5345 211 H 24.4326 27.6334 11.3377 0.0156876 -0.0116408 0.0171248 18
5346 212 H 25.1359 29.241 10.8986 0.00893508 -0.000113683 -0.0138936 18
5347 213 H 25.6061 26.6571 9.27565 0.0172994 0.000786883 -0.0080924 18
5348 214 H 24.4211 27.932 8.85686 -0.00759882 -0.00102079 0.00764547 18
5349 215 H 26.5381 29.5305 8.9928 -0.0135338 -0.00282371 -0.00919408 18
5350 216 H 27.4662 28.0869 8.79805 -0.000361872 -0.0078219 0.00220026 18
5351 217 H 25.4239 29.2417 6.81485 -0.0114896 -0.00754136 -0.0102343 18
5352 218 H 27.1743 29.138 6.63057 0.00512018 -0.00970108 -0.00604709 18
5353 219 H 27.0507 26.7362 6.3639 -0.00492023 -0.00730686 -0.0116754 18
5354 220 H 25.3276 26.7544 6.83655 0.0154758 -0.00503025 0.0109395 18
5355 221 H 25.6018 26.4421 4.41436 0.00260431 -8.65678e-05 0.00164894 18
5356 222 H 24.7493 27.8894 4.85528 0.00214519 -0.00324611 0.00404938 18
5357 223 H 26.8463 29.2611 4.18465 0.00187344 0.00150444 0.00361069 18
5358 224 H 27.6413 27.7692 3.91128 0.00664902 0.0087685 -0.00893544 18
5359 225 H 26.7035 28.6957 1.66661 -0.00160771 -0.00763841 0.000319608 18
5360 226 H 25.8718 27.1735 2.10812 0.0172788 -0.00155685 0.000774179 18
5361 227 H 25.1024 28.6891 2.40847 0.00283247 0.0096772 -0.0199631 18
5362 228 H 14.5638 24.0795 33.1903 0.010381 0.000246861 -0.0160654 18
5363 229 H 14.89 22.375 33.4614 -0.006427 0.00445773 0.00377999 18
5364 230 H 15.594 22.9603 35.912 0.00403601 0.00397159 -0.00843399 18
5365 231 H 15.363 24.647 35.4808 -0.000938817 0.00605419 -0.00536538 18
5366 232 H 12.988 24.428 35.3023 0.0030132 0.0162529 0.0131406 18
5367 233 H 13.0398 22.728 35.243 0.001786 -0.00650429 0.0107336 18
5368 234 H 12.3084 23.5612 37.4949 -0.0067583 0.00255187 -0.0209367 18
5369 235 H 13.5498 22.429 37.5823 0.00565924 0.00592169 0.00271688 18
5370 236 H 15.0571 24.8153 37.6531 0.00754886 -0.00544047 0.00373337 18
5371 237 H 13.4352 25.359 38.2432 -0.00307128 -0.00387202 0.00305032 18
5372 238 H 15.0518 23.0936 39.4757 0.00801905 0.00246129 -0.0149477 18
5373 239 H 15.2243 24.769 39.9848 0.0011655 -0.000837388 -0.00482137 18
5374 240 H 12.6902 24.6537 40.4076 -0.00183973 -0.0025846 -0.0145049 18
5375 241 H 12.7642 22.9326 40.0016 -0.0118111 0.0118174 0.000109774 18
5376 242 H 12.8311 23.0647 42.4484 -0.00654528 -0.00064684 -0.00432871 18
5377 243 H 14.4925 22.7552 41.9298 0.00449772 0.00494889 -0.00525678 18
5378 244 H 15.025 25.1726 42.1583 0.00594209 -0.00015512 -0.000516155 18
5379 245 H 13.3655 25.5457 42.6905 -0.00649979 -0.014274 0.00125003 18
5380 246 H 15.4812 23.9045 44.1746 0.00318985 0.00214425 -0.00787872 18
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5383 249 H 13.4986 22.5456 44.4923 0.00232495 -0.00148745 0.00351132 18
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5386 252 H 15.0551 22.8659 46.4303 0.000366458 0.00870896 0.012298 18
5387 253 H 21.4242 28.0713 33.7853 -0.00518891 0.0108727 2.60292e-05 18
5388 254 H 19.7231 28.0659 33.905 -0.00511013 -0.00367113 0.0135433 18
5389 255 H 19.739 27.5316 36.2486 0.0064448 0.000365369 0.00977047 18
5390 256 H 21.2238 26.5192 35.9903 -0.0101014 -0.0111393 -0.00882667 18
5391 257 H 22.6831 28.4711 36.0652 -0.000825071 -0.0108683 0.00709926 18
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5393 259 H 22.2407 29.5794 38.2134 0.0101402 -0.0119705 0.0126745 18
5394 260 H 20.5567 29.3413 38.0023 0.00109582 -0.00899911 0.00603805 18
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5398 264 H 23.0983 28.3459 40.1776 -0.000422536 -0.000647302 0.00489362 18
5399 265 H 20.9317 29.4767 40.5542 -0.00595622 0.00582943 0.0125031 18
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5401 267 H 22.7823 29.3893 42.3023 -0.00432932 0.000714579 -0.0143399 18
5402 268 H 21.1492 29.5733 42.9694 -0.00575387 -0.00351438 0.00323807 18
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5405 271 H 22.9905 27.1766 45.2168 -0.0034349 0.00340577 0.0100376 18
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5412 278 H 21.2232 19.0364 34.0007 0.00303588 0.00115277 0.00152169 18
5413 279 H 22.509 20.2134 34.3992 -0.00408844 -0.00297444 0.00279102 18
5414 280 H 19.9065 19.6254 35.9153 -0.00151056 -0.00481463 0.00828974 18
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5419 285 H 21.2463 19.892 38.5992 -0.0019414 0.00475105 -0.00658152 18
5420 286 H 23.351 18.6605 38.9694 -0.00157343 0.00536935 -0.000587223 18
5421 287 H 22.5776 17.1935 38.5566 -0.000766446 -0.00460666 0.00599057 18
5422 288 H 22.7615 17.2725 40.9053 0.012549 0.0167606 0.0061245 18
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5425 291 H 22.8282 19.6389 41.459 -0.00977981 0.009452 0.00656954 18
5426 292 H 22.0142 17.7005 43.0162 -0.00022453 -0.00109818 0.0161576 18
5427 293 H 20.3971 18.4474 42.8899 0.00603121 -0.0114893 0.011898 18
5428 294 H 21.1981 20.3976 44.0265 0.00183684 0.00285209 0.0180067 18
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5432 298 H 21.7177 20.4396 46.6199 -0.000970599 0.00377505 0.00169495 18
5433 299 H 23.3548 19.8985 46.3127 0.00115203 0.0038593 0.0106683 18
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5435 301 H 21.3285 18.471 48.0936 0.00375842 -0.0108755 0.00299321 18
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5438 2 C 25.5066 20.0921 29.4526 -0.000516641 0.00112122 0.00324684 19
5439 3 C 25.0153 18.9838 28.755 -0.00542852 0.00186322 -0.00217686 19
5440 4 C 24.3349 17.9695 29.4552 -0.00168411 -0.000184648 0.00355988 19
5441 5 C 24.192 18.0271 30.8751 -0.00661994 -7.57052e-05 -0.00197326 19
5442 6 C 24.6586 19.1837 31.5728 -0.000782529 -0.000525398 0.00463185 19
5443 7 C 19.7191 16.539 30.3507 0.00113257 -0.00318389 -0.00521985 19
5444 8 C 19.9062 16.3904 28.9705 -0.00692925 0.000758287 0.00133944 19
5445 9 C 21.1741 16.5007 28.4039 0.00129565 0.00131822 -0.000664979 19
5446 10 C 22.269 16.6995 29.2789 0.00149701 -0.00419802 -0.00157284 19
5447 11 C 22.1101 16.754 30.6728 -0.00698902 0.00671044 -0.000878488 19
5448 12 C 20.8157 16.7331 31.2338 0.000400425 -0.00105137 0.000514649 19
5449 13 C 25.2068 13.3667 31.0394 0.00116394 -0.00158522 -0.00371668 19
5450 14 C 25.4083 13.3722 29.6395 -0.00181661 -0.00284293 -0.00190206 19
5451 15 C 25.0083 14.4618 28.9085 -0.0029866 -0.000858539 0.0018843 19
5452 16 C 24.3281 15.5328 29.5274 5.52466e-05 -0.00291115 0.00138602 19
5453 17 C 23.7038 16.7359 28.7855 0.00171083 -0.000152115 0.000570822 19
5454 18 O 24.6189 14.4151 33.1097 -0.00197558 -0.00233464 0.000423101 19
5455 19 O 20.6205 16.8478 32.6153 -0.00233777 -0.00187204 0.000450556 19
5456 20 O 24.5874 19.2746 32.9695 0.000683591 -0.00238501 0.00086653 19
5457 21 C 24.6639 14.4648 31.7426 -0.00387381 0.000395608 -0.00387711 19
5458 22 C 23.919 16.7479 27.3486 -0.00390806 0.0037224 -0.00169649 19
5459 23 C 24.3731 16.8226 26.2247 0.000522292 0.00160848 0.000386511 19
5460 24 C 25.1939 16.937 25.0795 -0.00367027 0.00120232 0.00201223 19
5461 25 C 25.2279 18.1094 24.3378 0.00376933 0.000167635 0.00242041 19
5462 26 C 26.1291 18.2262 23.3068 0.00337419 -0.00117001 0.00037296 19
5463 27 C 27.0481 17.191 22.9856 -0.00040462 0.00125522 -0.00229314 19
5464 28 C 27.0243 16.0041 23.7554 -0.00010845 -0.000934566 -0.00084258 19
5465 29 C 26.1073 15.8897 24.8212 0.00202973 0.00207711 -0.00245798 19
5466 30 C 27.8559 17.3214 21.825 -0.00157999 -2.38387e-05 -0.00145498 19
5467 31 C 28.3567 17.3805 20.7182 0.000637663 -0.00439295 -0.00040212 19
5468 32 C 27.6274 13.6489 18.8311 -0.00465944 -0.00142506 0.00201969 19
5469 33 C 27.9397 13.5242 17.4848 0.00058587 -0.000867596 -0.00219002 19
5470 34 C 28.2129 14.6412 16.6935 -0.000842708 -0.00566139 -0.00175463 19
5471 35 C 28.1888 15.9219 17.2984 -0.0031994 -0.00227458 0.00391144 19
5472 36 C 28.0289 16.0201 18.6879 0.000179801 -0.000793392 0.00205315 19
5473 37 C 27.6773 14.8929 19.4768 -0.00268969 0.00137485 -0.00422534 19
5474 38 C 28.5272 17.3427 19.2659 -0.00211172 -0.001144 0.00117458 19
5475 39 C 32.4096 17.2652 18.7941 -0.00416807 -0.00459741 -0.00195088 19
5476 40 C 32.4224 17.2754 17.3783 0.00142256 -0.000260315 0.00117378 19
5477 41 C 31.2262 17.3568 16.6165 -0.00102698 0.00214759 0.00498017 19
5478 42 C 30.0016 17.3446 17.2772 -0.00163372 -0.00155833 -0.00152218 19
5479 43 C 29.9506 17.3701 18.6796 -0.00028566 0.00214294 -0.00469413 19
5480 44 C 31.1529 17.3565 19.4461 -0.00144365 -0.0032042 -0.00411014 19
5481 45 C 26.1306 20.2716 18.471 -0.0010962 0.00142204 0.00100855 19
5482 46 C 26.1822 20.2575 17.0695 0.00088682 0.00538054 0.00569668 19
5483 47 C 27.005 19.3365 16.3783 -0.00129693 0.0031521 -0.00027438 19
5484 48 C 27.7632 18.3907 17.1219 -0.00702023 0.000671877 -0.000790525 19
5485 49 C 28.6379 17.1841 16.5967 -0.00120043 -0.00244466 0.00380451 19
5486 50 C 27.7251 18.4619 18.5411 0.0010122 -0.00547071 -0.00232893 19
5487 51 C 26.9129 19.3852 19.1873 -0.00350414 0.000395243 -0.00178904 19
5488 52 O 31.2364 17.5543 15.2693 0.0027741 0.000647727 -0.00200408 19
5489 53 O 28.509 14.5626 15.3254 -0.000278932 -0.00072271 0.000641641 19
5490 54 O 26.9201 19.4855 15.0061 -0.00181772 -0.00195051 -0.0003261 19
5491 55 C 23.4249 16.8412 31.447 0.000590584 -0.00546751 0.00104424 19
5492 56 C 24.1342 15.5389 30.981 -0.00209565 0.00507181 0.000332985 19
5493 57 C 31.2934 16.516 14.3145 0.00181812 0.000256423 0.000439422 19
5494 58 C 30.5492 17.0492 13.0614 0.00159178 -0.00198402 -0.000627279 19
5495 59 C 31.069 16.4933 11.7369 0.0014583 0.002721 -0.000202898 19
5496 60 C 30.3583 17.1236 10.5563 -0.00533185 0.000324479 -0.000889463 19
5497 61 C 30.854 16.6011 9.20201 0.0054605 0.0024225 0.000911603 19
5498 62 C 30.0326 17.1998 8.03708 -0.000448624 0.00281699 0.00094039 19
5499 63 C 30.3734 16.6045 6.68151 -0.00128024 -0.000815069 0.000859557 19
5500 64 C 31.6767 17.1227 6.11541 0.000747266 -0.000879009 -0.00255737 19
5501 65 C 32.0422 16.5185 4.76046 -0.00176406 0.00256873 0.00412717 19
5502 66 C 31.1105 17.0044 3.61209 -0.00255225 0.00469907 6.4067e-05 19
5503 67 C 31.711 16.6524 2.25183 -0.00186969 0.00278841 -0.000220572 19
5504 68 C 30.6939 16.7955 1.12162 0.00094595 -0.00498365 -0.00439709 19
5505 69 F 26.0879 19.3914 22.6047 -0.00362976 0.00137962 0.00196801 19
5506 70 C 28.8494 13.2705 14.7238 0.000261258 0.00126199 0.00259937 19
5507 71 C 29.3489 13.5884 13.3166 0.000619746 -0.000901902 -0.00433148 19
5508 72 C 29.3036 12.3779 12.3746 0.00742415 0.00192044 0.00202326 19
5509 73 C 29.4362 12.7794 10.8925 0.00118858 -0.00158201 0.0021473 19
5510 74 C 29.9365 11.6763 9.95145 0.00483968 0.00052818 0.00400897 19
5511 75 C 30.1661 12.2791 8.54569 0.00056686 -0.00181659 -0.00180403 19
5512 76 C 30.5894 11.1703 7.52126 0.00450146 -0.000874832 -0.00120545 19
5513 77 C 31.051 11.6687 6.11335 -0.00374927 0.00189964 -0.00127276 19
5514 78 C 29.8106 12.1686 5.32794 0.000743034 -0.000494766 -0.00351752 19
5515 79 C 29.916 12.0743 3.80962 -0.00112389 -0.00205743 0.0040869 19
5516 80 C 30.8125 13.1681 3.18165 0.00292597 0.00102217 -0.00327536 19
5517 81 C 30.8092 13.1143 1.59335 0.00271591 -0.0022484 -0.00226001 19
5518 82 C 27.5712 18.7901 13.9162 -0.00163305 -0.00392834 -0.000298089 19
5519 83 C 27.0428 19.4761 12.6561 0.000504692 -0.000781646 -0.00343692 19
5520 84 C 27.1681 18.7753 11.2613 0.000594263 0.000820193 0.000782155 19
5521 85 C 26.2311 19.4956 10.2955 -0.00189802 -0.00189731 0.00100631 19
5522 86 C 26.4156 19.0165 8.82081 -0.00226851 -0.000937624 -0.00078246 19
5523 87 C 27.4837 19.8121 8.0927 0.0031787 0.00127031 -0.0032963 19
5524 88 C 27.8172 19.3948 6.66199 8.23089e-05 -0.00224057 0.00140113 19
5525 89 C 26.6276 19.5621 5.67376 0.000104755 0.000676043 -0.00140668 19
5526 90 C 27.1359 19.995 4.31169 0.00234235 -0.00467652 -0.00517275 19
5527 91 C 27.9979 18.9424 3.57881 0.00265253 0.000112843 0.000516937 19
5528 92 C 27.2997 18.2378 2.36184 -0.000233577 -0.0036685 -0.00121883 19
5529 93 C 27.2134 19.078 1.10515 0.000956936 -0.00264175 0.00383259 19
5530 94 C 19.3824 16.4816 33.2871 0.00700597 0.000592096 0.000540031 19
5531 95 C 19.4503 16.8842 34.7708 -0.00125824 0.000948475 -0.00525513 19
5532 96 C 18.0977 16.7167 35.4459 -0.00492063 0.00345725 -0.00251293 19
5533 97 C 17.9466 16.9852 36.9772 -0.000989188 0.00212321 -0.00037539 19
5534 98 C 18.7947 16.0237 37.8037 0.00045767 -0.000170715 0.00321282 19
5535 99 C 18.3502 15.8689 39.2715 0.00121231 0.00238769 -0.000210411 19
5536 100 C 18.0506 17.1626 40.0731 0.000721044 0.00167289 0.00103883 19
5537 101 C 18.4933 17.1437 41.5649 -0.00342846 0.00317909 0.00114122 19
5538 102 C 17.5821 16.5333 42.6625 0.00188556 -0.000368492 0.00122281 19
5539 103 C 17.981 17.0725 44.0349 -0.000532915 -0.000442831 -0.00267974 19
5540 104 C 17.1023 16.5754 45.2106 0.000780814 -0.00321114 0.00110608 19
5541 105 C 17.4545 17.2667 46.557 0.00194461 -0.00257852 -0.00687234 19
5542 106 C 25.4101 20.3248 33.6267 0.00612738 0.00288389 0.00321081 19
5543 107 C 25.4197 20.3097 35.1522 -0.00567525 -0.0065506 0.00145097 19
5544 108 C 25.849 21.6831 35.758 -0.00434062 0.00232459 0.00164803 19
5545 109 C 26.0137 21.7079 37.313 -0.000843191 -0.00164533 0.00233343 19
5546 110 C 24.8063 21.0188 38.0031 0.000718515 0.000261438 -0.00243348 19
5547 111 C 24.4647 21.6259 39.3911 -0.00122174 0.000363036 -0.00413178 19
5548 112 C 25.4292 21.3258 40.5637 0.00185288 0.00190679 -0.00154762 19
5549 113 C 24.9175 21.9148 41.8765 -0.00209764 0.000353756 -0.000718011 19
5550 114 C 25.6455 21.3433 43.1073 -0.00186901 -0.00264642 -0.00232649 19
5551 115 C 25.0428 21.9245 44.3996 0.00164404 0.00264749 -0.00234331 19
5552 116 C 25.7597 21.4248 45.6795 -0.00284349 -0.00121505 0.00352875 19
5553 117 C 25.0216 21.873 46.9619 -0.00255702 -0.0020167 -0.00111865 19
5554 118 C 24.9791 13.2704 33.8932 0.000468807 -0.00485226 0.000169371 19
5555 119 C 25.2603 13.624 35.3488 -0.00111802 0.000451002 0.00569817 19
5556 120 C 25.3831 12.4216 36.3206 -0.00158722 -0.00128419 0.00151814 19
5557 121 C 25.9068 12.9214 37.6796 0.00053339 0.00413957 -0.00132616 19
5558 122 C 25.8362 11.9171 38.8029 -0.00139095 0.000645584 0.00368024 19
5559 123 C 26.3637 12.5187 40.1157 -0.00235688 -0.00159621 -0.00233444 19
5560 124 C 25.7408 11.9288 41.39 -0.00456112 0.000403498 -0.00274056 19
5561 125 C 26.0143 12.714 42.6648 0.00124723 -0.00132576 -0.00349126 19
5562 126 C 25.2155 12.1898 43.8897 -0.00523727 0.00390181 0.000903119 19
5563 127 C 25.9411 12.5276 45.1927 -0.000487614 -0.000425929 0.00273672 19
5564 128 C 25.1777 11.9989 46.4063 0.00391071 0.00463707 -0.000195423 19
5565 129 C 26.0155 12.0589 47.696 -0.00373223 -0.00706341 0.00255044 19
5566 130 F 24.4047 19.1685 24.6508 -2.09698e-06 0.000401215 -0.00167613 19
5567 131 H 25.7112 21.1229 31.2577 -0.0135207 0.000635511 0.0161693 19
5568 132 H 26.03 20.8612 28.8922 -0.000539476 0.000302584 0.00209906 19
5569 133 H 25.1302 18.9761 27.6752 -0.00706106 0.0102826 -0.00241619 19
5570 134 H 18.7158 16.4511 30.7571 0.00940257 -0.00396186 0.0150553 19
5571 135 H 19.0612 16.1817 28.3209 -0.0091642 -0.0118268 0.00828038 19
5572 136 H 21.2501 16.4987 27.3206 0.00860524 -0.00542302 -0.000117844 19
5573 137 H 25.6065 12.4985 31.555 0.00596005 0.00637627 0.00596204 19
5574 138 H 25.9349 12.5382 29.185 -0.00316656 0.00259874 -0.0133826 19
5575 139 H 25.041 14.4266 27.8236 -0.00205101 0.00699908 0.00165452 19
5576 140 H 27.6922 15.1842 23.5084 0.00136065 0.000669732 -0.00219928 19
5577 141 H 26.0515 14.9671 25.3914 -0.00814721 0.00325959 -0.00152922 19
5578 142 H 27.3945 12.7256 19.3533 0.0182902 0.000156435 0.0149839 19
5579 143 H 27.9928 12.5393 17.0303 -0.00128606 -0.000876881 -0.00238685 19
5580 144 H 27.5627 14.9143 20.5565 -0.00194675 -0.00839298 -0.00394487 19
5581 145 H 33.3082 17.2773 19.4039 -0.00629655 0.00223674 0.00106804 19
5582 146 H 33.3923 17.348 16.8952 0.00289231 -0.0233568 0.000736141 19
5583 147 H 31.1579 17.4165 20.5304 -0.00596552 -0.00662234 -0.00390925 19
5584 148 H 25.4672 20.9617 18.984 -0.00845838 -0.0124956 0.0101944 19
5585 149 H 25.5828 20.9906 16.5378 0.00207255 0.00710612 0.0067355 19
5586 150 H 28.738 17.072 15.5101 -0.0102555 -0.00120793 0.00285498 19
5587 151 H 26.8241 19.4335 20.2686 0.0284151 -0.0105917 0.00128361 19
5588 152 H 23.3251 16.9007 32.5379 0.013886 -0.00153947 0.00205783 19
5589 153 H 32.3128 16.2178 14.0404 0.004388 0.000893411 0.00937365 19
5590 154 H 30.7675 15.5994 14.6089 0.000340386 0.0017863 0.00253825 19
5591 155 H 30.6681 18.1389 13.0199 -0.00311383 -0.00207457 -0.0165456 19
5592 156 H 29.4813 16.7991 13.0792 0.00387207 -0.0123116 -0.00751648 19
5593 157 H 30.8898 15.4114 11.7079 0.0104419 0.00138954 -0.00594963 19
5594 158 H 32.1498 16.6735 11.6853 0.00186198 0.00107641 0.0024773 19
5595 159 H 30.5155 18.2092 10.5472 0.00619506 -0.001309 0.00513312 19
5596 160 H 29.2708 17.0129 10.6491 -0.00598974 0.00649949 -0.00106282 19
5597 161 H 30.6735 15.5221 9.12171 0.00200686 0.00255748 0.00694196 19
5598 162 H 31.9271 16.8017 9.09477 0.00448792 0.00571914 -0.00262715 19
5599 163 H 30.2506 18.2732 7.97564 0.0119059 0.000573109 0.00519925 19
5600 164 H 28.9613 17.0273 8.19845 0.00122952 -0.00691641 0.00173748 19
5601 165 H 29.5689 16.8718 5.98532 0.000171003 0.0051936 0.00148806 19
5602 166 H 30.3985 15.5115 6.7711 -0.00140344 -0.0010042 -0.00142983 19
5603 167 H 32.4891 16.9128 6.82209 -0.00078017 0.00598433 0.00123383 19
5604 168 H 31.6028 18.209 5.98158 -0.00624458 -0.00166785 -0.00511694 19
5605 169 H 32.0083 15.422 4.76309 -0.0099329 0.00283021 0.0036439 19
5606 170 H 33.0947 16.7428 4.54771 0.00083964 -0.0181509 -0.00493533 19
5607 171 H 30.9851 18.0941 3.62814 -0.00266476 0.00482744 -0.0089868 19
5608 172 H 30.1159 16.5568 3.72949 0.00144666 -0.0024783 0.00659096 19
5609 173 H 32.1054 15.6289 2.23045 0.0024743 0.00435611 0.00504775 19
5610 174 H 32.5773 17.3055 2.0898 0.00366542 -0.00356689 0.00372507 19
5611 175 H 31.1031 16.4009 0.183404 0.00826972 -0.00408214 -0.00157803 19
5612 176 H 30.4651 17.8328 0.847739 0.0103023 -0.00239538 -0.00239794 19
5613 177 H 29.7556 16.2862 1.37378 -0.0040092 0.00449431 -0.00366085 19
5614 178 H 29.6169 12.7428 15.3034 0.00025607 -0.00613348 -0.00413965 19
5615 179 H 27.9556 12.6383 14.6533 0.0049229 -0.00449102 -0.00491 19
5616 180 H 28.864 14.4729 12.8855 -0.00370723 -0.00545953 -0.00878506 19
5617 181 H 30.3963 13.9073 13.3847 0.00309698 -0.0101166 0.000635763 19
5618 182 H 30.0997 11.6841 12.6716 -0.000558669 -0.00724162 0.00201963 19
5619 183 H 28.3609 11.8301 12.4959 0.00702391 0.00158915 -0.00257223 19
5620 184 H 28.4564 13.0749 10.4973 0.00416548 0.00145144 -0.00296547 19
5621 185 H 30.0763 13.6656 10.8016 0.000105099 -0.00118286 -0.00156032 19
5622 186 H 30.8727 11.2283 10.3065 -0.00246354 -0.0147651 0.00398503 19
5623 187 H 29.2216 10.8473 9.88026 0.00366715 0.00296342 -0.0126858 19
5624 188 H 29.2058 12.6558 8.17232 -0.000448 0.00267078 0.00538288 19
5625 189 H 30.9465 13.05 8.54851 0.00192644 -0.00313536 -0.0121148 19
5626 190 H 31.4255 10.6566 8.01161 0.0129375 0.0168601 0.00301791 19
5627 191 H 29.7964 10.4211 7.40637 0.00267955 0.00112393 -0.00165548 19
5628 192 H 31.8068 12.4577 6.21114 -0.004836 0.0037357 -0.00772109 19
5629 193 H 31.484 10.828 5.55735 0.00193263 0.00581025 -0.00275368 19
5630 194 H 28.9524 11.5407 5.59737 -0.00904861 0.00768062 -0.015655 19
5631 195 H 29.5324 13.1885 5.62071 0.0113518 0.000893945 0.00169125 19
5632 196 H 30.369 11.1145 3.53192 -0.0090829 -0.00546303 0.00289301 19
5633 197 H 28.9164 12.015 3.36173 0.00700418 0.0096052 -0.0155502 19
5634 198 H 30.4165 14.1387 3.50514 0.00564132 0.00311326 -0.00623509 19
5635 199 H 31.8566 13.0566 3.49903 0.00202372 -0.00244499 -0.00153388 19
5636 200 H 31.5927 13.7262 1.12942 -0.00518474 0.0119291 0.00309113 19
5637 201 H 30.9636 12.0656 1.31113 -0.0148538 -0.00444905 -0.00369398 19
5638 202 H 29.8622 13.4734 1.17187 0.0013334 -0.00391808 -0.000571005 19
5639 203 H 28.6638 18.8668 13.9773 -0.00127337 -0.0166941 0.00946967 19
5640 204 H 27.2993 17.7277 13.9425 -0.00154927 -0.00429291 -0.0146847 19
5641 205 H 25.9765 19.6398 12.8551 0.00221897 0.00131018 0.00404537 19
5642 206 H 27.4951 20.4691 12.5427 0.0024546 -0.000757485 0.00465644 19
5643 207 H 28.1787 18.834 10.8387 0.00260105 0.0249828 0.00903179 19
5644 208 H 26.9296 17.7062 11.3219 0.00212053 0.000202154 -0.00407856 19
5645 209 H 25.1993 19.2116 10.5367 -0.00316388 -0.0130381 -0.0172709 19
5646 210 H 26.3366 20.5874 10.3112 -0.00572213 -0.00152111 0.000608087 19
5647 211 H 26.6923 17.9562 8.87088 -0.00681331 -0.00205018 0.000902128 19
5648 212 H 25.4389 19.0999 8.32852 0.0032645 0.0088014 -0.0100659 19
5649 213 H 27.1599 20.8562 8.00112 -0.0108778 -0.00335987 -0.00646739 19
5650 214 H 28.4261 19.7814 8.65341 -0.00152336 -0.00115503 0.00445178 19
5651 215 H 28.6642 19.9628 6.25765 0.00595771 -0.00640008 0.00790507 19
5652 216 H 28.113 18.3389 6.63059 -0.00218583 -0.00282013 -0.000534964 19
5653 217 H 26.037 18.6376 5.6744 0.00316314 -0.00128109 0.000741588 19
5654 218 H 25.9505 20.3306 6.0666 0.00972843 0.00934349 -0.0018031 19
5655 219 H 26.2816 20.2862 3.68815 -0.00478545 -0.0196242 -0.00237332 19
5656 220 H 27.6672 20.9366 4.49747 -0.0113054 0.0021706 -0.000643004 19
5657 221 H 28.9245 19.4007 3.21182 -0.000957713 -0.00492827 -0.0149256 19
5658 222 H 28.3064 18.1816 4.30648 0.00576848 -0.00319959 -0.0042733 19
5659 223 H 27.8619 17.3282 2.11702 -0.00828574 -0.0101846 0.00450257 19
5660 224 H 26.2735 17.938 2.60765 -0.00356978 0.00770743 -0.00126115 19
5661 225 H 26.5883 18.6192 0.329168 -0.00643028 0.00957342 0.00253769 19
5662 226 H 26.7885 20.0656 1.32328 -0.0136892 -0.00812112 0.000107826 19
5663 227 H 28.2136 19.2305 0.68119 0.00079017 -0.0170423 -0.00173305 19
5664 228 H 18.5613 17.0778 32.8703 0.00248246 7.05568e-05 0.00868896 19
5665 229 H 19.1132 15.4321 33.1155 -0.00163336 0.00456145 -0.0103578 19
5666 230 H 20.2018 16.232 35.2327 -0.00310813 0.00202725 -0.000738445 19
5667 231 H 19.7896 17.9273 34.7906 0.00745494 -0.00231915 0.0167228 19
5668 232 H 17.4245 17.4008 34.9147 -0.00171764 0.00891421 0.000455307 19
5669 233 H 17.6865 15.7334 35.1863 -0.00257627 0.0062554 -0.0168686 19
5670 234 H 18.2041 18.0144 37.2561 0.000118925 -0.000593899 0.0086552 19
5671 235 H 16.8883 16.8271 37.2189 0.000866525 -4.36948e-05 0.00631953 19
5672 236 H 18.7087 15.0472 37.3113 0.00194294 -0.0010534 0.00470471 19
5673 237 H 19.8659 16.2604 37.8053 9.82552e-05 0.00143473 -0.0158198 19
5674 238 H 17.4324 15.2778 39.3791 -0.00842765 0.0173606 -9.23598e-06 19
5675 239 H 19.0799 15.2817 39.8425 -0.00977746 -0.00477549 0.00651618 19
5676 240 H 18.5781 17.9784 39.5636 -0.013781 0.00806869 -0.00374488 19
5677 241 H 16.9835 17.4096 40.0131 0.000346588 0.00143083 0.00671707 19
5678 242 H 19.4864 16.6879 41.6619 -0.00632305 -0.000333758 0.0142175 19
5679 243 H 18.6018 18.214 41.7793 0.00627949 0.00358369 -0.00575327 19
5680 244 H 16.5293 16.7335 42.4283 -0.00200722 -0.00900607 0.0113931 19
5681 245 H 17.7713 15.4529 42.6829 -0.0245692 -0.00466365 0.0170432 19
5682 246 H 19.0463 16.889 44.2215 0.000735212 0.00372757 -0.00579658 19
5683 247 H 17.8387 18.1596 43.9983 0.00922425 0.00112798 0.00628393 19
5684 248 H 16.041 16.7221 44.9745 0.00171738 -0.00834373 -0.00630194 19
5685 249 H 17.2731 15.4984 45.3302 0.0064077 -0.00245996 -0.000133689 19
5686 250 H 18.4391 16.9907 46.9543 0.00347586 -0.00420971 -0.011821 19
5687 251 H 17.4353 18.3616 46.4908 -0.00209778 -0.00183945 0.00639847 19
5688 252 H 16.7304 16.9594 47.3216 0.00875719 -0.00496831 -0.00137498 19
5689 253 H 26.4205 20.2865 33.2012 0.00383457 -0.00276203 -0.00175095 19
5690 254 H 25.0099 21.2882 33.2874 0.0151867 0.00997074 0.0127043 19
5691 255 H 24.4029 20.1196 35.5174 -0.00588029 -0.000526844 0.00405238 19
5692 256 H 26.0871 19.5353 35.55 0.000285966 -0.00286428 -0.00137251 19
5693 257 H 26.7942 22.0308 35.3233 2.54072e-05 -0.0101977 0.00114228 19
5694 258 H 25.1145 22.4369 35.4488 0.00515006 0.00905116 -0.00452053 19
5695 259 H 26.9779 21.2738 37.605 0.00558815 0.0081023 -0.00436997 19
5696 260 H 25.9631 22.7591 37.6227 0.00140645 0.00203403 -0.00980628 19
5697 261 H 23.9441 21.2261 37.3574 0.00135396 -0.00702644 -0.00561466 19
5698 262 H 24.992 19.9376 37.9969 0.00520323 0.000997229 0.00343481 19
5699 263 H 24.4646 22.7158 39.2665 0.00616954 0.00402447 0.0278711 19
5700 264 H 23.4392 21.3178 39.6296 -0.00053261 -0.00755824 -0.0113965 19
5701 265 H 25.566 20.2375 40.5812 0.00803506 0.00278438 0.00376438 19
5702 266 H 26.3884 21.8063 40.3344 -0.000608337 0.00872329 0.00240504 19
5703 267 H 24.9161 23.0117 41.8627 0.0276504 0.00041789 0.00124143 19
5704 268 H 23.8789 21.5812 41.9924 0.000123207 -0.00686022 -0.00148966 19
5705 269 H 25.5506 20.2505 43.0886 -0.00804714 -0.0023284 0.0109191 19
5706 270 H 26.7069 21.6122 43.0394 -0.00368691 0.00912606 0.0158448 19
5707 271 H 25.1236 23.0124 44.2838 0.00266358 0.00508596 0.021664 19
5708 272 H 23.9785 21.6686 44.4727 0.000708771 0.00460275 -0.00915625 19
5709 273 H 25.7934 20.3283 45.6722 0.00426171 -0.00102165 0.00716626 19
5710 274 H 26.7961 21.784 45.6971 0.00114324 -0.012522 -0.000450995 19
5711 275 H 23.9285 21.9128 46.8787 -0.000942079 0.00470619 -0.0187832 19
5712 276 H 25.1907 21.2164 47.8243 0.000395431 0.00274702 0.00193504 19
5713 277 H 25.3761 22.8717 47.2455 0.0135136 -0.00514004 -0.0101745 19
5714 278 H 24.1733 12.5268 33.8585 -0.00642777 0.00256906 0.00144439 19
5715 279 H 25.8847 12.7674 33.5323 0.000115247 0.000888144 -0.00868266 19
5716 280 H 24.4412 14.2389 35.7417 0.000661005 -0.00213904 0.0134878 19
5717 281 H 26.2068 14.1762 35.4001 -0.0122003 0.0204246 -0.00577996 19
5718 282 H 26.0703 11.6567 35.9383 -0.00248477 -0.00420589 0.005743 19
5719 283 H 24.396 11.9605 36.4489 0.00402732 -0.0120764 0.00589681 19
5720 284 H 25.263 13.7688 37.9456 -0.0103344 -0.00517491 0.00205554 19
5721 285 H 26.9148 13.3138 37.4968 0.00392304 -0.00692367 -0.00638582 19
5722 286 H 26.4188 11.0384 38.4997 0.00271326 0.00150502 0.00910893 19
5723 287 H 24.7954 11.581 38.8875 -0.00880235 0.0218066 -0.00337133 19
5724 288 H 26.1069 13.585 40.0929 0.030094 0.00610266 -0.00858407 19
5725 289 H 27.4607 12.5093 40.1122 -0.0025189 -0.018076 -0.00121873 19
5726 290 H 26.097 10.896 41.4896 0.0257767 0.011959 0.00801789 19
5727 291 H 24.651 11.8374 41.3044 -0.00489267 -0.00255081 0.00450431 19
5728 292 H 25.7841 13.7753 42.5094 0.0139308 0.00243806 0.00332034 19
5729 293 H 27.0973 12.726 42.8387 0.000317516 -0.000997727 0.00224812 19
5730 294 H 25.0427 11.125 43.6903 0.000592126 0.00452516 -0.00762917 19
5731 295 H 24.2292 12.6697 43.8688 0.000387808 0.0156711 0.00565954 19
5732 296 H 25.9038 13.6233 45.2304 0.00512329 -0.000745039 0.0168768 19
5733 297 H 27.0038 12.2571 45.1638 0.00279334 0.0130741 -0.0039673 19
5734 298 H 24.9784 10.9344 46.2313 0.00995814 0.00189101 0.00953809 19
5735 299 H 24.2344 12.5406 46.5488 -0.00109517 -0.00561332 0.00566619 19
5736 300 H 26.8149 11.3156 47.5875 -0.00456529 -0.0084655 0.00604483 19
5737 301 H 25.4734 11.8426 48.6248 0.00361269 0.000889292 0.00872326 19
5738 302 H 26.457 13.0487 47.8657 0.012013 -0.0145157 0.00503049 19
5739 1 C 29.1685 27.0801 31.7314 -3.90801e-05 -0.00161103 0.00219051 20
5740 2 C 29.4441 27.0911 30.3482 -0.0037814 0.00251885 -0.00212675 20
5741 3 C 28.8679 26.0986 29.5308 -0.0023606 -0.00087535 -0.000173026 20
5742 4 C 28.1947 25.0099 30.1079 -0.00195164 0.00104496 -0.00200498 20
5743 5 C 27.9707 24.976 31.4978 -0.00238292 0.00372344 -0.000164925 20
5744 6 C 28.4115 26.0625 32.3417 0.00251179 -0.00132767 -0.00016372 20
5745 7 C 23.5925 23.6785 30.6602 -0.000421648 -0.00631874 0.00188827 20
5746 8 C 23.8347 23.6978 29.2824 0.00348515 -0.00363223 0.00138378 20
5747 9 C 25.1255 23.7418 28.8353 -0.00216051 0.00207892 -0.00418014 20
5748 10 C 26.1738 23.7316 29.7445 -0.000535916 0.00399962 0.00377015 20
5749 11 C 25.9555 23.7102 31.1189 0.00408999 -0.0035939 0.000117597 20
5750 12 C 24.6415 23.6557 31.6014 -0.00300788 0.000637841 0.00215813 20
5751 13 C 29.2864 20.3791 31.2691 0.00227823 -0.00102944 0.00112898 20
5752 14 C 29.4068 20.472 29.892 -0.00252501 0.000434544 -0.00204512 20
5753 15 C 28.9432 21.5943 29.2511 -0.0034543 0.00206622 0.000513253 20
5754 16 C 28.2721 22.5944 29.9667 -0.00736894 0.00205533 0.00194068 20
5755 17 C 27.6172 23.8047 29.3368 0.00182824 0.000570285 -0.000614755 20
5756 18 O 28.6115 21.2592 33.3997 -0.00323098 -0.00152839 -0.000880241 20
5757 19 O 24.3718 23.7099 32.9574 0.00259171 -0.00217125 -0.00141377 20
5758 20 O 28.045 26.2469 33.684 0.00334667 0.00185247 0.00528286 20
5759 21 C 28.6524 21.3795 32.0275 -0.00194948 -0.000682901 0.000529044 20
5760 22 C 27.9263 23.8724 27.875 -0.000142381 0.00158296 -0.00229733 20
5761 23 C 28.4509 23.9228 26.7816 -0.000842692 0.00184585 0.000357534 20
5762 24 C 29.1681 23.9789 25.5343 0.00316177 0.00137673 -0.00532579 20
5763 25 C 29.2052 22.8104 24.743 0.000282707 -0.00229032 0.000853919 20
5764 26 C 29.9995 22.7382 23.5975 0.000369834 -0.00385357 0.00165563 20
5765 27 C 30.7959 23.8664 23.2406 -0.002769 0.000910798 0.000926738 20
5766 28 C 30.7182 25.0338 23.9583 0.00201059 0.00127171 0.00298681 20
5767 29 C 29.9654 25.0956 25.1615 -0.00103356 -7.75114e-06 0.00150793 20
5768 30 C 31.6089 23.9156 22.068 -0.00436204 0.00396612 0.00114458 20
5769 31 C 32.1527 23.906 20.9962 -0.00112864 -0.00222719 -0.00194614 20
5770 32 C 30.554 20.7258 18.72 -0.000150642 -8.43386e-05 -0.00405777 20
5771 33 C 30.6575 20.7429 17.3239 0.00577334 0.000266747 -0.000301966 20
5772 34 C 31.3651 21.7548 16.6484 -0.00291605 -0.000329612 -0.000385458 20
5773 35 C 31.9364 22.7498 17.4321 0.0027332 0.000778947 -0.000208027 20
5774 36 C 31.7877 22.7752 18.8208 -0.000644464 -0.000142655 -0.0028151 20
5775 37 C 31.1494 21.7341 19.4657 -0.000258542 0.00282173 -0.00276378 20
5776 38 C 32.4653 23.944 19.5746 0.00234846 -0.00178273 -0.00247571 20
5777 39 C 36.3372 23.9389 19.3844 0.00151033 0.00284848 -0.00311376 20
5778 40 C 36.4679 23.9736 17.9734 -0.000393223 -0.00443195 0.000765501 20
5779 41 C 35.3648 23.9101 17.1573 0.000135192 0.00136495 0.00280805 20
5780 42 C 34.0779 23.8834 17.7391 -0.00503486 0.00251502 -0.00255279 20
5781 43 C 33.9173 23.8658 19.1354 0.00148161 -0.000785823 -0.00103278 20
5782 44 C 35.0747 23.9336 19.9673 0.000531438 0.00283974 -0.000550279 20
5783 45 C 31.2135 27.4987 18.7177 -0.00164353 0.00243331 -0.00139494 20
5784 46 C 31.6548 27.5394 17.3756 -0.00212052 -0.000727647 -0.00230596 20
5785 47 C 32.1715 26.4061 16.7103 -0.00303077 -0.00103199 -0.00146974 20
5786 48 C 32.1743 25.2077 17.465 -0.00328047 0.00078331 0.00119055 20
5787 49 C 32.7667 23.9424 16.9217 0.00379163 -0.00149909 -0.00259541 20
5788 50 C 31.9243 25.2017 18.8543 0.000216631 0.00108686 -0.000120507 20
5789 51 C 31.3828 26.3374 19.4617 0.00134046 -1.68794e-05 0.00366567 20
5790 52 O 35.4839 24.0567 15.8056 0.000250767 -0.000809897 0.000418206 20
5791 53 O 31.4922 21.8132 15.2856 -0.00634529 -0.00133794 -0.000195048 20
5792 54 O 32.6645 26.4407 15.4443 8.51243e-05 0.00198702 0.000667229 20
5793 55 C 27.2528 23.6762 31.9561 0.00337224 -0.00133923 0.00295932 20
5794 56 C 28.1035 22.5096 31.368 0.00158288 -0.00100655 0.00331942 20
5795 57 C 36.059 22.9897 15.0501 0.00249132 -0.00143102 -0.00451753 20
5796 58 C 35.0018 22.2334 14.1998 -0.00190748 -0.00462131 -0.000693048 20
5797 59 C 34.8795 22.6763 12.7438 -0.00281635 0.00218398 -0.00126733 20
5798 60 C 33.9533 23.8485 12.5043 0.00366998 0.00212843 0.002452 20
5799 61 C 33.4547 23.9158 11.0096 -0.00253803 -0.000258418 -0.00485478 20
5800 62 C 34.4994 23.5851 9.91118 0.00201858 0.00130957 0.000651325 20
5801 63 C 33.8749 23.6247 8.5042 -0.00284049 0.00218051 -0.00085799 20
5802 64 C 34.9222 23.38 7.36919 0.00136034 0.00154763 -0.00114179 20
5803 65 C 34.2035 23.4778 6.02524 -0.00438821 0.00155876 0.00247191 20
5804 66 C 35.1347 23.3185 4.80228 -0.0018841 0.00140325 -0.00100802 20
5805 67 C 34.3901 23.5002 3.44874 -0.00237095 -0.00146091 -0.000563404 20
5806 68 C 35.3133 23.3223 2.22117 0.000711788 0.00127015 -0.0015231 20
5807 69 F 30.0388 21.5342 22.9354 0.00102144 0.000387637 0.000461791 20
5808 70 C 30.9415 20.8633 14.3952 0.00166642 0.000634883 0.00394033 20
5809 71 C 31.0359 21.5591 13.0374 -0.00187707 0.00154636 -0.00367083 20
5810 72 C 30.5477 20.6993 11.8766 -0.002131 0.0024568 -0.00381546 20
5811 73 C 30.0192 21.5213 10.6246 0.000352773 0.00452925 0.0039524 20
5812 74 C 30.831 21.1113 9.36554 0.000317538 -0.000628097 -0.000839972 20
5813 75 C 30.4253 21.8658 8.04805 0.00330974 -0.00249498 -0.0015032 20
5814 76 C 31.0736 21.1953 6.81223 -0.00213267 -0.00210654 -0.00344274 20
5815 77 C 30.5829 21.9353 5.53892 -0.00437148 -0.000873227 -0.00297579 20
5816 78 C 31.2327 21.3381 4.26387 0.000782734 0.00257307 -0.00260898 20
5817 79 C 30.8891 22.2571 3.06518 -0.000524061 0.00597528 0.00272614 20
5818 80 C 31.4714 21.7702 1.71323 -0.000852357 0.00106751 -0.000703663 20
5819 81 C 30.7052 20.6008 1.12548 -0.00127721 -0.00355286 -0.000516708 20
5820 82 C 32.8343 27.6827 14.7124 -0.0030478 0.00178885 -0.00110357 20
5821 83 C 33.3057 27.4257 13.2924 -0.00322887 -0.00170398 0.00152974 20
5822 84 C 33.7195 28.7363 12.5593 -0.00265318 -0.00421544 0.00330889 20
5823 85 C 33.7242 28.632 11.0197 -0.00136202 0.00172926 0.00109022 20
5824 86 C 34.7549 27.6539 10.4394 0.000935432 0.00225634 -0.00735777 20
5825 87 C 34.2897 27.0682 9.08419 -5.63774e-05 -0.00210748 -0.00147008 20
5826 88 C 34.3905 27.9905 7.83873 -0.00227358 0.00379389 0.00016862 20
5827 89 C 33.3042 27.6193 6.84346 0.00744678 0.000561646 -0.00309344 20
5828 90 C 33.5095 28.1835 5.3983 0.00127171 -0.00347359 -0.00344415 20
5829 91 C 34.5954 27.4249 4.61171 0.00131382 -0.0016398 -0.00158237 20
5830 92 C 34.3045 27.3317 3.08556 0.000688132 -0.0023717 0.00178763 20
5831 93 C 34.2502 28.7264 2.42959 0.00202791 -0.000522292 0.000691597 20
5832 94 C 23.1261 23.2614 33.5002 0.00127959 -0.000879018 -0.00317495 20
5833 95 C 22.8549 23.9297 34.8514 0.00117923 0.00188914 -0.000536339 20
5834 96 C 22.1419 23.0503 35.8506 -0.000215215 0.000803982 0.00583499 20
5835 97 C 22.0163 23.7609 37.2498 0.00110066 0.00291254 -0.00128744 20
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5837 99 C 20.8101 23.7784 39.5123 0.00478878 0.000128101 0.00217368 20
5838 100 C 21.7603 23.2862 40.6428 -0.00096163 -0.000806498 0.000451811 20
5839 101 C 21.4283 24.0284 41.966 -0.0017351 -0.00331567 0.000415802 20
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5842 104 C 22.1093 23.6285 45.7886 -0.00262275 -0.00205301 -0.00068385 20
5843 105 C 21.587 24.4236 47.0387 -0.00212244 -0.00400386 -0.00082954 20
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5846 108 C 29.4626 27.5968 36.8907 -0.00375091 -0.00204144 -0.000895408 20
5847 109 C 29.1458 27.6139 38.3796 0.00271258 -0.00378277 0.000344261 20
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5849 111 C 30.4282 27.4287 40.5606 -0.00111778 3.10926e-05 0.00135802 20
5850 112 C 29.3786 28.0653 41.5095 0.00044281 -0.00145909 0.00312015 20
5851 113 C 29.3618 27.493 42.9309 0.00396245 -0.00109812 0.000324006 20
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5853 115 C 30.1371 27.6632 45.3757 0.0038376 0.00105357 0.000804795 20
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5857 119 C 29.1949 20.1386 35.6067 -0.00239685 -0.00149627 7.59008e-05 20
5858 120 C 29.7695 18.8555 36.1618 9.76133e-05 0.00185833 -0.00313044 20
5859 121 C 30.3514 18.9892 37.5599 -0.00299082 0.00322905 0.00101812 20
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5863 125 C 29.3879 19.0872 42.4486 -0.00012806 0.000225368 0.00272076 20
5864 126 C 28.6877 19.5706 43.7333 -0.000613345 -0.00417696 -0.000728948 20
5865 127 C 29.3375 18.9835 45.0133 0.00300847 0.00278671 2.12549e-05 20
5866 128 C 28.6032 19.2887 46.3119 0.00062275 0.00129474 0.00375049 20
5867 129 C 29.4267 18.9548 47.5607 0.00233543 -0.00145407 -0.00105557 20
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5937 199 H 32.52 21.4603 1.80185 0.00184712 0.0112251 0.00274418 20
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5946 208 H 34.676 29.1134 12.9419 -0.0133317 0.0122965 0.0137245 20
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5959 221 H 35.5569 27.9013 4.83988 -0.00344567 0.00942872 -0.00462307 20
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5989 251 H 22.1034 24.0851 47.9454 0.00135002 0.014602 0.00414286 20
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5996 258 H 29.7814 28.5852 36.5376 0.000919541 0.000606672 0.0108365 20
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6004 266 H 28.3937 27.8945 41.0575 -0.00415431 -0.00257839 0.0135757 20
6005 267 H 28.3441 27.5283 43.339 0.00756389 -0.0153444 0.0105977 20
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6024 286 H 28.3879 19.4429 38.436 0.00344678 -0.00305685 0.02008 20
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6034 296 H 30.3545 19.3939 44.9873 0.00553794 -0.00289152 0.011033 20
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6042 2 C 33.3352 20.0705 29.2741 0.00294092 0.0013085 0.00579137 21
6043 3 C 32.725 18.992 28.6591 0.00258344 -0.00316291 0.00216198 21
6044 4 C 32.0193 18.0425 29.4255 -0.00153914 -0.000223199 -0.00260107 21
6045 5 C 31.9402 18.1563 30.8305 0.00182211 -0.00134061 6.8048e-05 21
6046 6 C 32.584 19.2392 31.4423 0.00110743 -2.77999e-06 0.00221853 21
6047 7 C 27.4135 16.916 30.3006 -0.00128366 -0.00068439 0.00091378 21
6048 8 C 27.5959 17.011 28.9228 -0.00157857 0.00205423 -2.68157e-05 21
6049 9 C 28.8847 16.9249 28.4202 -0.00145215 -0.00018794 0.00475245 21
6050 10 C 29.9499 16.8741 29.3177 0.000113448 0.00273258 0.00028299 21
6051 11 C 29.7942 16.9415 30.7024 0.00382266 0.000592192 0.00297311 21
6052 12 C 28.483 16.9229 31.2188 0.0042718 -0.00087916 -0.00119327 21
6053 13 C 32.8793 13.5326 31.3379 6.68289e-05 0.00451177 0.00208472 21
6054 14 C 33.0431 13.4263 29.9363 0.000969984 -0.000534791 0.000227103 21
6055 15 C 32.62 14.4732 29.1423 0.00042452 -0.000204616 -0.00108618 21
6056 16 C 32.0758 15.6621 29.7009 0.000976639 -0.00141453 0.00102453 21
6057 17 C 31.4285 16.7703 28.8753 0.00513857 0.00097549 -0.00258958 21
6058 18 O 32.2137 14.7704 33.2501 -0.00582573 -0.000276831 0.00133804 21
6059 19 O 28.2263 16.9594 32.6015 -0.00112425 -0.00348168 0.000886757 21
6060 20 O 32.578 19.3903 32.8404 -0.00375671 0.00145278 -0.00079936 21
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6062 22 C 31.6989 16.6518 27.4592 0.00110528 -0.000628164 -0.00393499 21
6063 23 C 32.1601 16.6329 26.3605 0.000755615 0.000250825 -0.000991194 21
6064 24 C 33.0158 16.6347 25.2218 0.00112726 0.001859 -0.0040695 21
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6066 26 C 35.112 16.0575 24.0967 0.00265934 -0.000729668 -0.0013453 21
6067 27 C 34.8752 17.0448 23.1382 -0.00119654 0.00109313 0.000463077 21
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6069 29 C 32.7556 17.5592 24.1934 -0.000201143 -0.000582158 0.00356668 21
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6071 31 C 36.2078 17.1558 20.9115 -0.000299068 -0.0019748 0.00140579 21
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6073 33 C 35.0111 13.7526 17.4174 -0.00222618 -0.00108722 -0.000772008 21
6074 34 C 35.6232 14.8087 16.764 0.000655563 -0.0018048 0.00750522 21
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6076 36 C 35.938 15.8969 18.8726 0.00411895 1.77809e-05 0.0023891 21
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6078 38 C 36.4823 17.1761 19.503 -0.000466529 0.000210475 0.000304486 21
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6082 42 C 38.0496 17.2818 17.6265 -0.00129568 0.000107277 0.00503592 21
6083 43 C 37.9156 17.2183 19.0247 -0.00205015 -0.0020255 0.00298344 21
6084 44 C 39.0674 17.2283 19.8229 0.00531753 -0.000162336 -0.00383396 21
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6091 51 C 35.1664 19.4249 19.3767 0.00180374 0.00418524 0.00298632 21
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6100 60 C 38.4447 17.5533 10.975 0.0050872 0.0021868 0.00229018 21
6101 61 C 37.9986 16.1538 10.5891 0.000802535 -0.000986918 0.00131781 21
6102 62 C 37.4955 15.9972 9.11068 8.82433e-05 0.00267309 0.000249074 21
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6108 68 C 38.1596 16.5407 1.50407 -0.00279469 0.00220787 -0.00308458 21
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6110 70 C 36.7037 13.7853 14.9212 -0.00427607 -0.00182257 0.00187186 21
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6113 73 C 37.4211 12.5833 11.2187 -0.00404005 0.000768356 0.00281685 21
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6123 83 C 33.9541 18.7968 13.178 0.00319385 0.00142815 0.000291824 21
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6132 92 C 35.1515 18.5012 2.56607 -0.000742099 -0.00027866 0.00303046 21
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6135 95 C 26.813 17.0749 34.5502 -0.00428916 0.00358829 0.00210984 21
6136 96 C 25.3811 16.9713 35.1873 -0.00330244 0.00601431 0.0024665 21
6137 97 C 25.2359 17.0098 36.7494 0.00201543 -0.00254894 -0.00149015 21
6138 98 C 26.5172 17.3655 37.5308 -0.00257752 0.00221542 -0.00604037 21
6139 99 C 26.3717 17.5421 39.0834 -0.00390546 0.000849556 -0.00127399 21
6140 100 C 25.5776 16.4089 39.7202 -0.000887484 -0.00147861 -0.00290732 21
6141 101 C 25.6781 16.2994 41.2729 -0.0011827 0.00564209 -0.000296949 21
6142 102 C 25.3844 17.5947 42.0419 -0.00522279 0.00143103 0.00199632 21
6143 103 C 24.8516 17.3884 43.4883 -0.00209327 -0.00473231 -0.00303614 21
6144 104 C 25.8223 16.7919 44.4851 -0.00270481 -0.00152021 0.00119276 21
6145 105 C 25.2485 16.8905 45.8986 0.000737273 0.00370702 -0.00380042 21
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6147 107 C 33.1614 20.4763 34.9855 -0.000915675 -0.00108934 -0.000256776 21
6148 108 C 33.5662 21.8634 35.5025 0.00223312 0.00499535 0.001238 21
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6150 110 C 33.7475 21.3368 38.1039 -0.00280353 0.00462931 -0.000317554 21
6151 111 C 32.8673 21.6376 39.3745 -0.00136643 0.000242303 0.00214434 21
6152 112 C 33.5837 21.1752 40.6714 0.00149837 -0.00306635 0.000264243 21
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6155 115 C 32.7095 21.4384 44.499 0.00103465 0.000419537 0.00237163 21
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6157 117 C 33.7586 20.2497 46.5405 0.00443541 -0.00256524 -0.0034676 21
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6159 119 C 33.725 13.1497 34.4219 -0.0037418 -0.000579199 0.00045188 21
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6161 121 C 33.2977 12.9077 36.9899 0.00264276 0.00435034 0.00115691 21
6162 122 C 33.9127 12.388 38.2981 0.000960062 0.00140185 0.00326167 21
6163 123 C 33.0466 12.8215 39.4834 -0.00162021 0.00431566 -0.000287387 21
6164 124 C 33.643 12.3914 40.8507 0.00312146 0.00081374 0.000745139 21
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6166 126 C 33.5498 12.8346 43.3383 -0.00580971 -0.00247539 -0.00230589 21
6167 127 C 32.6243 13.1487 44.5063 -0.00198211 -0.00562248 0.00132943 21
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6169 129 C 32.1741 12.9042 47.0379 0.00226041 -0.000828255 0.000745265 21
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6288 248 H 26.0465 15.7448 44.247 -0.0048182 -0.00285589 0.00508202 21
6289 249 H 26.8003 17.2889 44.4847 0.00358219 -0.0138384 0.00419035 21
6290 250 H 25.1705 17.96 46.1296 -0.00456363 0.00151224 0.00447975 21
6291 251 H 24.2654 16.4085 45.9667 0.00204025 0.000510542 -0.00759535 21
6292 252 H 25.8585 16.3711 46.648 -0.0102511 -0.00504942 -0.000894007 21
6293 253 H 34.4849 20.0552 33.2913 0.00247821 0.00458513 0.000237034 21
6294 254 H 33.2512 21.3384 33.0087 -0.002997 -0.000935022 -0.00377872 21
6295 255 H 32.0855 20.31 35.1198 3.46155e-05 -0.00361498 0.00417071 21
6296 256 H 33.7193 19.7051 35.5308 0.0090448 0.0119531 0.00797323 21
6297 257 H 34.6517 22.0142 35.5503 0.00186865 0.00841308 -0.00133225 21
6298 258 H 33.1986 22.6691 34.8551 -0.00773736 -0.0015362 -0.00122361 21
6299 259 H 33.1747 23.1167 37.1021 0.00572006 -0.0052987 0.0147189 21
6300 260 H 31.9333 21.904 36.9124 -0.000456179 0.00199206 0.0121351 21
6301 261 H 33.878 20.2687 37.8907 -0.00939578 0.00275372 0.00508764 21
6302 262 H 34.7358 21.8022 38.2044 0.00465925 -0.0117989 0.00215688 21
6303 263 H 32.6725 22.7143 39.4535 -0.0161589 -0.00258921 0.00399649 21
6304 264 H 31.9188 21.0918 39.2985 -0.00275023 0.00611605 -0.0224753 21
6305 265 H 33.793 20.108 40.5275 -0.00225178 -0.00271669 -0.00794059 21
6306 266 H 34.5383 21.7154 40.6861 -0.00292406 0.00437819 0.0124872 21
6307 267 H 32.484 22.5366 41.8984 0.00731181 -0.00126617 0.00140412 21
6308 268 H 31.7612 20.9885 41.8745 0.0016207 -0.0016688 -0.00461707 21
6309 269 H 33.7597 20.0187 43.2626 0.00430987 -0.000898321 0.00777313 21
6310 270 H 34.438 21.6327 43.2234 0.00794879 -0.0120824 -0.0257176 21
6311 271 H 32.2448 22.4231 44.3659 0.00198756 0.000801719 0.00186828 21
6312 272 H 31.8708 20.7535 44.6748 0.000800252 -0.0010708 -0.00459169 21
6313 273 H 34.5677 22.0042 45.5515 -0.000485188 -0.000532278 -0.00678312 21
6314 274 H 33.051 22.3151 46.45 -0.00549875 -0.00349047 -0.000672666 21
6315 275 H 34.166 19.491 45.8609 -0.000536334 -0.00473949 -0.00402305 21
6316 276 H 34.4407 20.3776 47.3902 0.000777007 0.00660112 -0.00190413 21
6317 277 H 32.8003 19.8702 46.9161 0.00132791 -0.00396338 -0.0128189 21
6318 278 H 31.8486 13.9216 35.1344 0.00386319 0.00435825 -0.00289358 21
6319 279 H 31.646 12.8104 33.7977 -0.00922574 0.00624459 -0.00152595 21
6320 280 H 34.3654 14.0404 34.4253 -0.0105292 0.00431148 -0.000312486 21
6321 281 H 34.124 12.5206 33.6167 0.00527657 0.0129465 -0.00567585 21
6322 282 H 34.9994 12.1808 35.9328 -0.00135133 -0.00466263 0.00346112 21
6323 283 H 33.5351 11.3014 35.5991 0.00157486 -0.000121153 0.00578863 21
6324 284 H 32.211 12.7827 36.9076 0.00297282 0.000447252 0.0028728 21
6325 285 H 33.4679 13.9914 36.976 -0.000558638 0.00500659 0.0135732 21
6326 286 H 34.9468 12.7334 38.4203 -0.00455061 0.0168071 0.00630265 21
6327 287 H 33.9247 11.2911 38.2892 0.0143028 0.00158578 -0.000335121 21
6328 288 H 32.0614 12.3402 39.4489 -0.000384156 0.00131388 0.00580484 21
6329 289 H 32.9084 13.907 39.4068 0.014311 0.00546926 -0.0129315 21
6330 290 H 34.6595 12.7967 40.9271 0.00422113 0.00223919 -0.021218 21
6331 291 H 33.7279 11.2984 40.8903 -0.00731702 0.000368658 0.0108387 21
6332 292 H 31.8983 12.2263 42.15 -0.00175397 0.0097401 -0.00230708 21
6333 293 H 32.423 13.8907 41.8173 0.0049923 0.00745412 0.0106301 21
6334 294 H 34.3862 13.5437 43.3061 -0.00706937 -0.00141718 -0.0117204 21
6335 295 H 34.0361 11.8599 43.4685 0.00221304 0.00369585 0.0140224 21
6336 296 H 31.6384 12.6816 44.3919 -0.0109633 0.014271 -0.00297099 21
6337 297 H 32.3499 14.2092 44.4475 0.0140033 -0.0011118 0.00861031 21
6338 298 H 34.0638 13.4651 46.0971 0.000964878 -0.00653649 0.00707142 21
6339 299 H 33.6337 11.7488 45.9027 0.00110984 -0.00224283 -0.0174302 21
6340 300 H 32.5431 12.4683 47.9745 0.00135715 -0.015441 -0.00570096 21
6341 301 H 31.2387 12.3859 46.7934 2.93248e-05 0.000488448 0.00647904 21
6342 302 H 31.9359 13.9541 47.2484 -0.00907125 -0.00538077 0.0106734 21
6343 1 C 36.8242 26.9312 31.0832 -0.0023476 0.00136704 -0.000223366 22
6344 2 C 37.0383 26.7967 29.7054 0.00186045 -0.000444399 0.00317508 22
6345 3 C 36.6465 25.6298 29.0662 -0.0012645 0.00148506 -0.000232843 22
6346 4 C 36.0636 24.5961 29.8125 0.00353269 0.00285373 -0.00134227 22
6347 5 C 35.8578 24.749 31.2255 -0.000104802 0.00244037 -0.00324457 22
6348 6 C 36.248 25.9167 31.8619 9.36942e-05 -0.00231229 0.000568004 22
6349 7 C 31.3722 23.7133 30.5076 -0.00360217 0.00184929 -4.31049e-05 22
6350 8 C 31.6662 23.6316 29.1071 -0.000690039 -0.000356578 -0.000695783 22
6351 9 C 32.9337 23.4222 28.6417 0.00308398 0.0014347 -0.00558136 22
6352 10 C 34.0049 23.3948 29.5764 0.00149687 0.000591348 -0.00228976 22
6353 11 C 33.7727 23.5797 30.9538 -0.00281669 0.00239094 0.000753677 22
6354 12 C 32.4507 23.6817 31.4477 0.000194204 6.6745e-05 0.00216496 22
6355 13 C 37.0703 20.1971 31.6748 -0.00143761 -0.00388709 0.000651776 22
6356 14 C 37.2337 20.1151 30.3159 -0.00181937 -0.00441302 -0.00121858 22
6357 15 C 36.7015 21.0658 29.4729 0.00231156 -0.00293313 -0.00558402 22
6358 16 C 36.0372 22.1783 30.0164 0.00188487 0.00313814 -0.00237698 22
6359 17 C 35.4649 23.3275 29.1945 -0.00397247 0.00142672 0.00325231 22
6360 18 O 36.2801 21.3261 33.7074 -0.000903953 -0.000642219 0.00128623 22
6361 19 O 32.2225 23.7202 32.8041 -0.00137209 0.00167726 0.00018811 22
6362 20 O 35.9065 26.1085 33.1804 0.00460362 -0.000199009 -0.000563139 22
6363 21 C 36.3747 21.2538 32.2991 -0.000471076 -0.00110122 -0.00222811 22
6364 22 C 35.7897 23.2567 27.7784 0.00468003 0.000815523 -5.64971e-05 22
6365 23 C 36.2977 23.2462 26.6737 0.00152987 0.0020712 0.000376525 22
6366 24 C 37.0449 23.2918 25.4787 0.00292942 0.00265705 0.00069335 22
6367 25 C 38.1908 22.4805 25.372 -0.00432543 -0.00439668 0.00261202 22
6368 26 C 39.108 22.6274 24.2862 0.000268473 0.00207347 -0.00117254 22
6369 27 C 38.8346 23.6083 23.3198 -0.00582691 -0.00157716 0.00171579 22
6370 28 C 37.6852 24.4392 23.4484 -0.000824524 0.000579802 -0.00156574 22
6371 29 C 36.8047 24.2925 24.5267 -0.000647019 0.000767674 -0.00331891 22
6372 30 C 39.5914 23.7367 22.1274 0.00040411 -0.000894751 -0.000309558 22
6373 31 C 40.0697 23.7555 21.0139 -0.000596567 -0.00134295 0.000775229 22
6374 32 C 38.2826 20.743 18.5281 -0.00261618 0.000984318 -0.00052511 22
6375 33 C 38.3064 20.8927 17.1438 0.00324439 -0.000358666 0.00409783 22
6376 34 C 39.1402 21.8728 16.5432 -0.00285173 0.00125277 -0.00164472 22
6377 35 C 39.7901 22.8095 17.374 -0.000823857 -0.00158738 9.97645e-05 22
6378 36 C 39.6267 22.7403 18.7811 0.00342899 -0.00164238 -0.00265668 22
6379 37 C 38.8932 21.6749 19.362 0.00157928 0.00165429 -0.00337818 22
6380 38 C 40.3375 23.8241 19.5545 0.00284464 -0.00256362 -0.000120447 22
6381 39 C 44.2204 23.766 19.3768 0.000327358 0.000418624 0.00199476 22
6382 40 C 44.3575 23.9455 17.9555 -0.000600884 -0.00134872 7.71875e-05 22
6383 41 C 43.2542 23.8862 17.085 0.0025904 9.22517e-05 0.00196647 22
6384 42 C 41.995 23.8143 17.6794 0.00158867 0.00098181 -0.00105262 22
6385 43 C 41.8133 23.749 19.0934 -0.00245128 0.00139865 0.00498088 22
6386 44 C 42.9369 23.6692 19.9336 0.00158663 -0.0025833 0.00278281 22
6387 45 C 38.6506 27.2241 18.8835 0.000544188 0.00418984 0.000321716 22
6388 46 C 38.8526 27.3562 17.5165 0.00148034 -0.00026611 -0.00132957 22
6389 47 C 39.5816 26.3995 16.82 -0.00406116 0.00493193 -0.00111363 22
6390 48 C 40.0027 25.2476 17.4904 0.00257619 0.00307153 0.00128102 22
6391 49 C 40.6923 23.9757 16.9212 0.000270507 0.000340984 -0.00230461 22
6392 50 C 39.8475 25.1519 18.9068 -0.00408711 -0.00342033 -0.00333358 22
6393 51 C 39.1918 26.1744 19.5941 -0.000783819 -0.0019238 0.0026653 22
6394 52 O 43.43 24.2133 15.7149 0.00277271 -0.00146666 -0.00217597 22
6395 53 O 39.256 22.0224 15.1632 0.00144713 0.000530746 0.00270019 22
6396 54 O 39.7754 26.6926 15.5009 -0.00235692 -0.00302402 8.86961e-05 22
6397 55 C 35.0634 23.5873 31.8365 -0.00184546 0.00395556 0.00278563 22
6398 56 C 35.8624 22.3061 31.4379 0.00105078 0.00166474 -0.000408502 22
6399 57 C 43.7118 23.193 14.7243 -0.00183899 0.00164394 -0.00619334 22
6400 58 C 42.6347 23.2836 13.6063 -0.000157697 0.000503162 0.00157665 22
6401 59 C 43.1679 22.7002 12.3139 -0.000762119 -0.00219338 0.000630043 22
6402 60 C 42.0711 22.8724 11.2408 0.00309319 0.00644107 -0.000942744 22
6403 61 C 42.5361 22.7204 9.78119 -0.0033623 -0.00240472 -0.00419791 22
6404 62 C 43.3409 23.9274 9.27876 -0.0016652 0.00166398 -0.00125769 22
6405 63 C 42.7585 24.5355 8.01387 0.000336437 0.000783254 8.60163e-05 22
6406 64 C 42.9262 23.5947 6.78599 -0.00111248 0.000603107 0.000862719 22
6407 65 C 42.5333 24.3046 5.44762 -0.00201719 0.00241106 -0.000248006 22
6408 66 C 42.6971 23.3177 4.2466 -0.000119309 -0.00342793 0.00394475 22
6409 67 C 42.4405 23.907 2.85247 0.00130345 -0.00104287 -0.0021201 22
6410 68 C 43.406 25.0709 2.53127 -0.00530427 -0.00090725 -0.00168669 22
6411 69 F 40.2413 21.8669 24.1922 0.000865521 -0.00107973 -0.00220023 22
6412 70 C 38.7605 20.9978 14.2854 -0.0016648 -8.0895e-06 -0.00127023 22
6413 71 C 39.2811 21.4258 12.9107 -2.81708e-05 0.0060382 0.00133225 22
6414 72 C 38.2853 21.059 11.8085 0.00256882 0.000308046 -0.00211353 22
6415 73 C 38.9166 21.0164 10.4562 0.000962438 -0.000469223 -0.00160116 22
6416 74 C 37.906 20.7916 9.316 0.000575487 -0.0044863 -0.000977118 22
6417 75 C 38.4695 20.5416 7.93536 -0.00120078 0.00136182 -0.00111226 22
6418 76 C 38.7409 21.7888 7.05098 0.000337229 0.00382909 0.00249326 22
6419 77 C 38.8106 21.4067 5.57718 -0.00121707 0.00297499 0.00234511 22
6420 78 C 38.7728 22.5916 4.61097 -0.00521115 -0.00600042 0.0019131 22
6421 79 C 38.4308 22.0953 3.17414 -0.00137146 -3.24611e-05 -0.000150419 22
6422 80 C 39.5481 21.2707 2.52229 0.0041955 -0.00216067 -0.00113728 22
6423 81 C 39.0814 20.7242 1.2072 -1.2301e-05 -0.000866379 0.0046809 22
6424 82 C 40.6778 26.1037 14.5117 -0.00394633 -0.00141553 -0.00234485 22
6425 83 C 40.8968 27.1883 13.436 0.00159392 0.000361726 5.78986e-05 22
6426 84 C 41.4463 26.687 12.0722 0.00394108 -0.00413631 0.00237078 22
6427 85 C 41.568 27.8576 11.0495 0.0031646 -0.00250273 0.00331215 22
6428 86 C 42.102 27.523 9.64086 0.00448282 -0.00353396 0.00293449 22
6429 87 C 42.4561 28.8058 8.86971 -0.00504387 0.000689778 -0.00528473 22
6430 88 C 42.9681 28.6755 7.39937 0.00244711 -0.00210211 0.00128375 22
6431 89 C 41.8749 28.1607 6.47091 0.00180055 0.00409764 -0.00286769 22
6432 90 C 42.3241 27.8443 5.03463 -1.32292e-05 0.000113294 -0.00040439 22
6433 91 C 42.3878 29.0561 4.10583 -0.00327412 0.000745984 0.00199903 22
6434 92 C 42.8246 28.7523 2.66185 4.61806e-05 -0.00107904 0.00125219 22
6435 93 C 41.7229 28.0977 1.77983 0.00109661 0.00400192 0.00310529 22
6436 94 C 30.8952 23.8834 33.2975 0.0040973 0.000239504 4.2183e-05 22
6437 95 C 30.7513 23.5624 34.7717 -0.00129145 0.00248518 -0.00682288 22
6438 96 C 29.4024 24.0308 35.2647 -0.00302399 -0.000218266 -0.000714894 22
6439 97 C 28.805 23.5547 36.5988 0.00240928 0.000119122 -0.00217115 22
6440 98 C 29.6436 23.8654 37.8348 0.00265498 -0.000859006 -0.000439665 22
6441 99 C 28.8973 23.6032 39.1452 -0.00265046 -0.00523873 0.00497387 22
6442 100 C 29.7906 23.4752 40.3717 -0.00440405 -0.00219703 0.0013814 22
6443 101 C 28.9565 23.655 41.6553 -0.00138319 8.72795e-05 0.00507126 22
6444 102 C 29.8328 23.5188 42.9072 0.00165367 0.00236533 -0.00127476 22
6445 103 C 28.9989 23.7661 44.193 0.00298588 -0.000382469 -4.396e-05 22
6446 104 C 29.8841 23.5362 45.4528 -0.000875448 0.00132904 -0.00228101 22
6447 105 C 29.2557 24.0858 46.7487 -0.00182922 0.00227121 -0.00287708 22
6448 106 C 35.8512 27.4101 33.8096 -0.0013545 0.00170002 -0.00337034 22
6449 107 C 37.2313 27.9343 34.1531 7.08687e-05 0.00208962 -0.00211807 22
6450 108 C 37.4515 28.7691 35.4548 0.00204534 0.00254617 0.0025195 22
6451 109 C 36.9514 28.0568 36.7023 -0.000338 0.0020858 0.00185985 22
6452 110 C 37.6237 28.5369 37.9776 -0.00152157 0.00163948 -0.000928934 22
6453 111 C 37.1215 27.7978 39.2327 -0.0021146 0.00122157 0.00413403 22
6454 112 C 38.049 28.1002 40.4253 -0.00114594 -0.000868492 0.00461548 22
6455 113 C 37.5819 27.4224 41.7384 0.000632068 0.000794337 -0.00436163 22
6456 114 C 36.5663 28.294 42.5236 -0.0026663 -0.0002977 0.000708841 22
6457 115 C 36.588 28.0393 44.0486 -0.00204037 0.00142705 -0.0011999 22
6458 116 C 37.9549 28.4052 44.7135 -0.00305666 0.000952302 0.00384366 22
6459 117 C 37.996 28.4698 46.205 -0.000889096 0.00278661 -0.00279283 22
6460 118 C 36.844 20.1895 34.4871 -0.000663158 0.000311527 0.00353383 22
6461 119 C 36.7621 20.2977 36.0323 -0.00439263 0.00129387 0.000357548 22
6462 120 C 37.3916 19.0862 36.7524 0.000201981 -0.00203981 -0.00134612 22
6463 121 C 37.8563 19.3598 38.1939 -0.000369456 0.00295847 0.000911284 22
6464 122 C 36.8208 19.4139 39.3386 0.00232648 0.00147403 0.00263587 22
6465 123 C 37.5215 19.5866 40.6821 0.000373281 0.00308588 0.00124426 22
6466 124 C 36.6212 19.4924 41.9341 -0.00143864 -0.00236569 -0.0011274 22
6467 125 C 37.4329 19.5404 43.2275 -0.0038326 0.000135758 0.00340514 22
6468 126 C 36.5669 19.202 44.4355 0.00134538 0.00308742 0.000632353 22
6469 127 C 37.362 19.0481 45.7787 -0.00222792 -0.00045273 0.00109026 22
6470 128 C 37.8123 20.3665 46.3906 0.0022246 0.00376428 -0.000527334 22
6471 129 C 38.6042 20.0604 47.6709 -0.00524593 -0.00254227 0.00189994 22
6472 130 F 38.442 21.5471 26.3085 -0.00198879 -0.00110172 0.00121997 22
6473 131 H 37.0892 27.8712 31.558 -0.0197553 0.00530297 0.00169991 22
6474 132 H 37.3941 27.6636 29.1566 0.0133289 0.00120182 0.0132037 22
6475 133 H 36.7486 25.5724 27.9865 0.0034246 0.0222497 -0.000882527 22
6476 134 H 30.347 23.8249 30.8478 -0.00298757 0.00902495 -0.000550376 22
6477 135 H 30.8379 23.6965 28.4077 -0.00145732 0.00443063 0.000652304 22
6478 136 H 33.0903 23.3481 27.5696 -0.0117627 0.0131191 -0.00856332 22
6479 137 H 37.5765 19.4259 32.2478 0.00134229 0.0025739 0.00690278 22
6480 138 H 37.7872 19.2845 29.888 9.64731e-05 -0.000198711 -0.00691308 22
6481 139 H 36.8408 20.9441 28.4028 0.0123059 -0.00830264 -0.00367202 22
6482 140 H 37.5479 25.2415 22.7295 -0.00497553 0.00695588 0.00634249 22
6483 141 H 35.8957 24.8864 24.5422 0.00357884 0.00736318 -0.00821953 22
6484 142 H 37.7874 19.8759 18.9549 0.00519616 -0.000662399 0.0051875 22
6485 143 H 37.8318 20.1188 16.5477 -0.00309593 0.00624827 0.000589809 22
6486 144 H 38.8647 21.5421 20.4394 0.00257554 0.00479974 -0.00296125 22
6487 145 H 45.1103 23.7878 19.999 0.00367479 -0.00494351 -0.00259654 22
6488 146 H 45.3278 24.0952 17.4913 0.00717032 0.000203828 0.0168595 22
6489 147 H 42.8254 23.5071 21.0017 0.000500048 0.00452204 0.00373819 22
6490 148 H 38.1071 27.9651 19.4623 0.0164257 0.0192652 -0.00409044 22
6491 149 H 38.4661 28.196 16.9466 -0.00251137 -0.0047727 -0.00527974 22
6492 150 H 40.8983 24.0225 15.8447 -0.00372904 0.00602343 -0.00282757 22
6493 151 H 39.0646 26.176 20.6726 0.0134245 -0.00232445 0.00434296 22
6494 152 H 34.7957 23.6948 32.8949 -0.00323306 -0.000905271 0.00292946 22
6495 153 H 44.7044 23.3631 14.2893 0.00260966 -0.0104401 -0.000769027 22
6496 154 H 43.718 22.2052 15.2014 -6.34039e-05 0.00963195 0.0103592 22
6497 155 H 42.3901 24.3378 13.4268 0.00547298 0.000316389 -0.00721018 22
6498 156 H 41.7256 22.7565 13.9214 -0.00242065 0.00464899 0.00197544 22
6499 157 H 43.2937 21.6237 12.4835 0.00546889 -0.000723818 0.00529744 22
6500 158 H 44.1501 23.096 12.0275 0.00456027 -0.0134413 0.00326592 22
6501 159 H 41.6127 23.868 11.2857 -0.00256946 0.00371706 0.00131567 22
6502 160 H 41.3199 22.0976 11.4381 0.0119456 -0.00376599 -0.00723712 22
6503 161 H 41.6483 22.6059 9.14701 0.00249349 0.00374321 -0.0135189 22
6504 162 H 43.1527 21.8134 9.7596 -0.00653226 -0.00483177 0.00648976 22
6505 163 H 44.3871 23.6133 9.17786 -0.00242072 -0.00623542 0.0152421 22
6506 164 H 43.2931 24.7025 10.0536 0.00968934 0.00382577 -0.00273843 22
6507 165 H 43.3052 25.4623 7.80025 -0.00619064 0.00358425 -0.00447751 22
6508 166 H 41.7286 24.8752 8.17952 0.00308567 0.00762175 0.00325289 22
6509 167 H 42.2919 22.7072 6.90158 -0.00823588 0.00537717 -0.00152817 22
6510 168 H 43.972 23.2649 6.75472 0.00192052 0.0108515 -0.00581379 22
6511 169 H 43.2472 25.1218 5.28634 0.0062731 -0.00182822 0.0149803 22
6512 170 H 41.5143 24.7055 5.51344 -0.00444512 -0.00362819 -0.00102838 22
6513 171 H 42.0365 22.4559 4.40263 0.000133469 -0.00538561 -0.00584682 22
6514 172 H 43.7034 22.8958 4.36 -0.00432335 -0.0181143 -0.0138017 22
6515 173 H 41.4032 24.2335 2.70798 0.00047916 -0.00365529 -0.00211242 22
6516 174 H 42.5617 23.1267 2.09101 -0.013945 -0.00335009 -0.00219894 22
6517 175 H 44.434 24.7264 2.69844 -0.00586229 -0.00454515 -0.0057808 22
6518 176 H 43.2766 25.8925 3.24648 -0.00807303 -0.00512327 0.00266584 22
6519 177 H 43.2927 25.4294 1.50073 0.00640734 -0.0113963 -0.00662879 22
6520 178 H 39.2165 20.0272 14.5164 -0.0113524 -0.00116923 0.0128733 22
6521 179 H 37.668 20.9022 14.2571 -0.00110127 -0.00855093 0.00609248 22
6522 180 H 39.4196 22.5135 12.8766 -0.0034125 0.00643328 0.000169958 22
6523 181 H 40.2863 21.0129 12.7603 -0.00186272 0.00097454 0.00307983 22
6524 182 H 37.8096 20.1001 12.0482 -0.00174674 0.00215951 -0.00327325 22
6525 183 H 37.4857 21.8098 11.8298 -0.00115241 -0.00370618 -0.000242229 22
6526 184 H 39.4272 21.9698 10.2728 -0.00271905 0.00425681 0.0127428 22
6527 185 H 39.697 20.2462 10.4909 0.00686704 0.00516902 -0.00927879 22
6528 186 H 37.2896 19.9197 9.56731 -0.00525823 0.00144066 0.00530617 22
6529 187 H 37.2203 21.6455 9.25126 0.00112533 -0.00365817 0.00415607 22
6530 188 H 39.3629 19.9052 7.91765 0.00409784 0.00913058 -0.0153637 22
6531 189 H 37.7105 19.996 7.36116 -0.00450281 -0.00301062 0.00744739 22
6532 190 H 37.9152 22.5036 7.15415 0.000835258 0.00281461 0.0134844 22
6533 191 H 39.6572 22.317 7.34231 0.0122204 -0.0105941 -0.00877583 22
6534 192 H 39.7268 20.8415 5.3663 -0.0025558 0.00437185 -0.00727056 22
6535 193 H 38.0221 20.6872 5.3241 0.00849436 -0.00451933 -0.00671669 22
6536 194 H 37.9926 23.3156 4.87647 -0.00280781 -0.00588897 0.00862277 22
6537 195 H 39.7487 23.0917 4.64181 -0.0111036 0.00602183 -0.00703627 22
6538 196 H 37.5321 21.4671 3.2075 -0.00152186 -4.49528e-05 -0.00443831 22
6539 197 H 38.2241 22.9649 2.53808 -0.00826365 0.00104263 0.00356144 22
6540 198 H 40.4336 21.8956 2.35304 -0.000959736 0.00308598 -0.00870084 22
6541 199 H 39.8916 20.4814 3.20225 0.0177999 -0.00286095 -0.00881149 22
6542 200 H 39.8729 20.0522 0.853251 -0.0142258 -0.00776659 -0.0139255 22
6543 201 H 38.1625 20.1443 1.35778 0.00970517 -0.0164625 0.00393406 22
6544 202 H 38.9098 21.4764 0.42735 0.00744114 -0.00334356 0.000637534 22
6545 203 H 41.6516 25.8684 14.9586 -0.00428143 -0.00141559 -0.00161489 22
6546 204 H 40.267 25.1616 14.1281 -0.00491897 -0.000228014 -0.00420892 22
6547 205 H 39.9544 27.6762 13.158 0.00334011 0.00725661 0.00629349 22
6548 206 H 41.6075 27.9284 13.8239 0.00143782 -0.000300797 0.00160692 22
6549 207 H 42.4112 26.19 12.2316 0.00338353 -0.00672006 -0.00234255 22
6550 208 H 40.7517 25.9575 11.6376 0.00919084 -0.013102 0.00907376 22
6551 209 H 40.6307 28.4164 10.9379 0.00708434 0.00225667 -0.00588508 22
6552 210 H 42.243 28.5741 11.5337 0.00345667 -0.0132441 0.0188242 22
6553 211 H 42.9261 26.8088 9.75992 0.0176049 0.00957178 -0.009798 22
6554 212 H 41.3494 26.9886 9.04802 0.00852544 0.000730922 -0.00605755 22
6555 213 H 41.572 29.4547 8.89495 -0.00643478 -0.00201081 0.0159838 22
6556 214 H 43.2364 29.2839 9.47453 0.00250878 -0.0106693 -0.00603838 22
6557 215 H 43.3933 29.6224 7.04435 0.0157013 -0.00736231 0.00306249 22
6558 216 H 43.8094 27.9716 7.38488 -0.00423198 -0.00994662 -0.00531989 22
6559 217 H 41.3913 27.2593 6.86719 -0.00931074 0.0198061 0.0192776 22
6560 218 H 41.1115 28.9457 6.40429 0.00114289 0.00340073 -0.00353925 22
6561 219 H 43.3358 27.4242 5.09316 0.000480997 0.00327092 0.0138246 22
6562 220 H 41.6832 27.0474 4.63775 -0.00545139 0.000120741 0.00834632 22
6563 221 H 41.4095 29.5515 4.07386 0.000819137 0.00892793 0.00363676 22
6564 222 H 43.1189 29.7559 4.52909 0.0056198 -0.00271148 -0.00764176 22
6565 223 H 43.1134 29.6293 2.0696 0.00323534 -0.00023847 0.00407589 22
6566 224 H 43.6887 28.0815 2.74378 0.000393046 -0.000780595 8.44899e-06 22
6567 225 H 40.809 28.7044 1.77613 -0.00419668 -0.00396852 0.00502218 22
6568 226 H 42.0857 27.987 0.750489 -0.000115948 0.0118589 0.00183217 22
6569 227 H 41.5308 27.1051 2.20548 -0.0117556 -0.00010405 -0.0123372 22
6570 228 H 30.5149 24.8849 33.0617 -0.00418543 -0.00115398 0.0074602 22
6571 229 H 30.2271 23.1443 32.8385 -0.00552932 0.0163468 -0.0118349 22
6572 230 H 30.9048 22.4788 34.8472 -0.000314238 0.00274926 -0.00505233 22
6573 231 H 31.5208 24.1276 35.3119 -0.00790804 0.00468774 0.000301718 22
6574 232 H 29.4834 25.1239 35.222 -0.00519245 -8.18849e-05 -0.00143211 22
6575 233 H 28.6437 23.7856 34.5114 0.010938 -0.00670448 -0.0126482 22
6576 234 H 27.8604 24.0974 36.7281 -0.000416423 -0.0062136 0.00364925 22
6577 235 H 28.6253 22.4738 36.5474 0.00908593 -0.000562255 -0.0116265 22
6578 236 H 30.5276 23.2164 37.8057 0.000238372 -0.00374754 -0.00951886 22
6579 237 H 30.0078 24.9001 37.844 0.00256385 -0.000880961 0.00630767 22
6580 238 H 28.208 24.4451 39.2849 -0.00118271 0.000728004 -0.023663 22
6581 239 H 28.3165 22.6784 39.0412 0.00390428 -0.00963583 0.00743253 22
6582 240 H 30.2477 22.4795 40.3158 -0.00272016 -0.000893604 -0.00840271 22
6583 241 H 30.6293 24.1669 40.2248 -0.00656753 -0.00132961 -0.0070706 22
6584 242 H 28.5981 24.6915 41.6287 -0.00893989 -0.00272412 -0.00180385 22
6585 243 H 28.1466 22.9163 41.6978 0.00192487 -0.00386517 -0.000430649 22
6586 244 H 30.3174 22.535 42.9338 0.00138885 0.00196591 -0.0112097 22
6587 245 H 30.6504 24.2487 42.8604 0.00514498 -0.00227056 -0.0125155 22
6588 246 H 28.6962 24.8173 44.1102 0.00815924 0.000386696 -0.00959238 22
6589 247 H 28.1245 23.1036 44.1867 -0.000717688 0.00450923 0.000695803 22
6590 248 H 30.1507 22.4758 45.5421 -0.00220296 0.000347578 -0.00993425 22
6591 249 H 30.8452 24.0591 45.3724 0.0040789 -0.00587416 0.00983855 22
6592 250 H 28.3037 23.5982 46.9925 0.00227263 -0.00652012 -0.00445462 22
6593 251 H 29.9547 23.9213 47.5781 0.00230897 -0.00169605 -0.00714491 22
6594 252 H 29.0309 25.1561 46.6642 0.00258147 0.00495323 0.0194383 22
6595 253 H 35.3099 28.0913 33.1415 -0.00390936 -0.00827111 -0.0114953 22
6596 254 H 35.3269 27.3166 34.7687 0.000400537 0.0142176 -0.00117206 22
6597 255 H 37.8906 27.0598 34.2152 -0.000383402 0.00340727 0.0214894 22
6598 256 H 37.6069 28.5587 33.333 0.018421 -0.0207879 -0.0111397 22
6599 257 H 38.5162 29.031 35.4913 0.00137237 0.00517427 0.00325527 22
6600 258 H 36.9582 29.7461 35.381 0.0146129 0.00936347 0.00882152 22
6601 259 H 35.8606 28.1658 36.7435 0.00278616 0.0280511 0.0142293 22
6602 260 H 37.0708 26.9676 36.6489 0.00712543 0.00317549 -0.00329985 22
6603 261 H 38.7064 28.3658 37.9323 -0.000558431 0.00631377 0.00423008 22
6604 262 H 37.4911 29.6125 38.1474 -0.00184781 0.00303991 -0.0101649 22
6605 263 H 36.1093 28.1586 39.4536 -0.00266036 -0.00964419 0.0193105 22
6606 264 H 37.1213 26.7095 39.0952 -0.00633307 0.00250044 -0.0058621 22
6607 265 H 39.0365 27.6926 40.1764 0.000832421 0.00850428 -0.0028591 22
6608 266 H 38.1414 29.1911 40.4942 0.00226252 -0.0010696 0.00323178 22
6609 267 H 37.0568 26.4877 41.5063 -0.0136601 0.00651319 0.00483769 22
6610 268 H 38.476 27.1898 42.33 -0.0013785 -0.0129136 -0.00672309 22
6611 269 H 36.7877 29.3542 42.3491 -0.00340127 -0.00164895 -0.00843604 22
6612 270 H 35.594 28.0686 42.0684 -0.00833708 0.00573446 0.00989916 22
6613 271 H 35.7884 28.5542 44.5953 0.00252564 0.00187987 0.00507868 22
6614 272 H 36.3672 26.9775 44.2134 -0.0107428 0.0041409 0.00467533 22
6615 273 H 38.7164 27.6972 44.3638 -0.0049647 -7.61936e-05 0.00176069 22
6616 274 H 38.2598 29.405 44.3806 0.00204849 -0.00491633 -0.00906439 22
6617 275 H 37.8448 27.4809 46.6553 -0.00757434 0.00581835 0.0016252 22
6618 276 H 38.9597 28.8418 46.574 0.00427304 -0.0118816 -0.0014854 22
6619 277 H 37.2299 29.1642 46.5716 0.0020563 -0.00440448 0.017034 22
6620 278 H 36.4333 19.2382 34.1269 -0.000884039 -0.00494535 0.0176999 22
6621 279 H 37.9142 20.1335 34.2527 -0.00298253 0.00816435 -0.00892617 22
6622 280 H 35.7305 20.402 36.3904 -0.00588394 -0.00206686 -0.0029578 22
6623 281 H 37.3425 21.1902 36.297 -0.00355921 0.00445268 -0.0120639 22
6624 282 H 38.231 18.6595 36.1896 -0.000932438 0.00134705 -0.00559415 22
6625 283 H 36.6243 18.3039 36.805 0.00139663 -0.00245544 0.0100312 22
6626 284 H 38.4284 20.2948 38.1491 0.00699018 -0.00163714 -0.00116929 22
6627 285 H 38.5999 18.577 38.3879 0.00338653 0.00588511 -0.00162827 22
6628 286 H 36.2649 18.4695 39.3888 0.00213196 0.00126987 -0.00349183 22
6629 287 H 36.1166 20.2338 39.1507 0.00232626 0.000718414 -0.000675052 22
6630 288 H 38.0643 20.5398 40.6966 0.00720522 -0.000814486 0.00270147 22
6631 289 H 38.3222 18.8428 40.7773 -0.00188682 0.00172454 0.00963601 22
6632 290 H 36.1057 18.5245 41.9073 0.019258 -0.0136637 0.00859991 22
6633 291 H 35.8235 20.2434 41.8792 -0.00827729 -0.0100013 -0.00666869 22
6634 292 H 37.862 20.5341 43.4061 0.0144487 -0.00588539 -0.00712775 22
6635 293 H 38.2705 18.832 43.2353 -0.00396725 8.37225e-05 0.0162117 22
6636 294 H 36.0424 18.2419 44.354 -0.00489395 0.00722578 -0.00752897 22
6637 295 H 35.8476 20.0236 44.5398 0.00350338 0.00580641 -0.0058761 22
6638 296 H 38.2787 18.4629 45.6354 -0.00661993 -0.0073092 0.00109091 22
6639 297 H 36.6882 18.5836 46.5093 0.00833119 -0.00753074 0.00629524 22
6640 298 H 36.9579 21.0098 46.635 -0.00149339 0.00263678 -0.0106057 22
6641 299 H 38.5012 20.8202 45.6675 -0.00441541 -0.00876926 -0.0147527 22
6642 300 H 38.8373 21.0199 48.1489 0.00989007 -0.00343637 -0.0037126 22
6643 301 H 39.551 19.5622 47.4283 0.00156271 0.00501879 0.0129308 22
6644 302 H 38.0567 19.4982 48.4374 0.00256393 -0.00212658 0.00780476 22
6645 1 C 40.9485 20.1567 30.9967 0.00186117 -0.00303042 0.00220109 23
6646 2 C 41.0988 20.0528 29.6274 -0.00375467 0.00228937 0.00289865 23
6647 3 C 40.5922 18.958 28.9535 -0.0023855 0.000395217 -0.000629077 23
6648 4 C 39.9665 17.9351 29.6725 -0.00130902 0.00115752 -0.00247586 23
6649 5 C 39.8299 18.0329 31.0866 -0.00135443 0.000421976 0.00175453 23
6650 6 C 40.3199 19.1743 31.7758 -0.000645535 -0.000771431 -0.000275144 23
6651 7 C 35.3389 16.7006 30.5226 -0.000713889 -0.00163426 -0.00206824 23
6652 8 C 35.5249 16.6171 29.1234 -0.00242107 0.00280794 -0.00343457 23
6653 9 C 36.8293 16.663 28.5774 -0.00119463 -0.000139465 0.00126758 23
6654 10 C 37.9183 16.7043 29.4499 0.00164422 -0.000334138 0.00179573 23
6655 11 C 37.7412 16.8027 30.8592 -0.00200271 -0.00252465 -0.00129541 23
6656 12 C 36.4555 16.8106 31.4081 9.81546e-06 -0.00070453 -0.00107697 23
6657 13 C 41.0577 13.4948 31.2793 -0.000296692 -0.00237402 -0.00587066 23
6658 14 C 41.1365 13.4329 29.9162 -0.00212756 0.00394839 0.000250515 23
6659 15 C 40.6375 14.4709 29.1204 -0.00309318 0.00169792 0.00103903 23
6660 16 C 39.9774 15.5131 29.7543 0.00113293 0.000291725 -0.000465892 23
6661 17 C 39.3719 16.6908 29.0042 -0.000569976 -0.00214808 0.00265896 23
6662 18 O 40.2748 14.4834 33.3894 0.00205541 -0.000231028 0.00266221 23
6663 19 O 36.2323 16.9627 32.8011 0.00447713 -0.00651626 0.00127036 23
6664 20 O 40.1151 19.3749 33.133 0.0014152 0.00413012 2.18546e-05 23
6665 21 C 40.3829 14.5303 31.9803 -0.000100336 0.000706341 0.00287364 23
6666 22 C 39.6068 16.6451 27.5469 0.00388921 -0.0012632 -0.00025189 23
6667 23 C 40.0144 16.7183 26.4185 -0.000878567 -0.00161955 -0.00151234 23
6668 24 C 40.7682 16.8555 25.2087 0.000210785 0.000297191 -0.000367085 23
6669 25 C 40.3237 17.6644 24.1755 0.00165518 0.0011313 0.00627205 23
6670 26 C 41.1487 17.9064 23.1105 -0.00189709 0.000699669 -0.00197948 23
6671 27 C 42.4295 17.2837 23.062 0.00369903 -0.00271865 0.00487341 23
6672 28 C 42.8743 16.457 24.062 0.00267308 -0.00295428 -0.00290002 23
6673 29 C 42.0536 16.2567 25.1817 -0.00200429 -0.00900592 -0.00342541 23
6674 30 C 43.2181 17.3689 21.8784 0.00148752 -0.00037134 -0.00210607 23
6675 31 C 43.7503 17.3294 20.7943 -0.00414095 -0.000339521 -0.00140759 23
6676 32 C 42.5315 13.7512 18.6632 -0.00334638 0.000154589 0.00418713 23
6677 33 C 42.739 13.6874 17.273 -0.000783151 0.000247202 0.00579763 23
6678 34 C 43.4292 14.7579 16.6165 -0.0021754 0.000315622 -0.000346292 23
6679 35 C 43.8047 15.914 17.3423 0.000951104 -0.00176949 0.00365074 23
6680 36 C 43.5324 15.9894 18.7348 0.00137721 0.00353059 -0.00108691 23
6681 37 C 42.9005 14.9057 19.3901 0.00426679 0.000674279 0.0015472 23
6682 38 C 44.1107 17.2477 19.3899 -0.000243518 -1.86436e-05 0.000266584 23
6683 39 C 47.9952 17.1823 19.456 -0.000106829 -0.00147841 0.00398241 23
6684 40 C 48.2476 17.2232 18.0705 0.000736483 0.00102911 -0.00357967 23
6685 41 C 47.172 17.2103 17.175 -0.0041252 -0.00661137 0.00437091 23
6686 42 C 45.8469 17.1273 17.6501 -0.00144974 0.00165565 -0.00140626 23
6687 43 C 45.6164 17.202 19.0589 -0.00106885 0.000422551 -0.00522318 23
6688 44 C 46.6747 17.163 19.9725 -0.00519469 -0.00205697 -0.00239576 23
6689 45 C 42.2335 20.3858 18.1404 -0.00434671 -0.00213028 0.00268483 23
6690 46 C 42.4078 20.2337 16.7606 0.000872902 0.00313806 -0.000248529 23
6691 47 C 43.1594 19.152 16.2734 -0.00439788 0.00563908 -0.00108939 23
6692 48 C 43.7656 18.2856 17.1731 0.00303709 -0.000653859 -0.00251709 23
6693 49 C 44.598 17.0955 16.7787 0.00146859 0.00107851 0.00375345 23
6694 50 C 43.5977 18.4451 18.5741 -0.000988635 -0.00581219 0.000491026 23
6695 51 C 42.8452 19.5093 19.0738 -0.000440413 -0.000904653 -0.00198638 23
6696 52 O 47.3548 17.401 15.8538 0.00356386 0.00323823 0.000179351 23
6697 53 O 43.8223 14.6436 15.3013 0.000469574 0.00261236 0.000316031 23
6698 54 O 43.3822 18.9527 14.9046 0.00230716 -0.00173389 0.000196326 23
6699 55 C 39.0781 16.8268 31.6637 -0.000809301 -0.0020193 0.0010037 23
6700 56 C 39.852 15.5563 31.1941 0.000298229 -0.000346372 0.00193731 23
6701 57 C 47.8821 16.3903 15.024 -0.000793659 -0.0038098 0.00233232 23
6702 58 C 47.6649 16.8004 13.5514 0.000916908 -0.00339206 -0.000412255 23
6703 59 C 46.1752 17.0588 13.2031 -0.000622781 0.00355517 -0.00209672 23
6704 60 C 45.9279 17.1379 11.6772 -0.00135368 0.00349821 0.000705223 23
6705 61 C 46.6362 16.0236 10.8779 -0.000681183 -0.00282349 0.00043588 23
6706 62 C 46.0232 15.6096 9.55193 0.00200735 -0.00035898 0.00212299 23
6707 63 C 46.2256 16.6178 8.37605 0.00128522 -0.00037995 -0.00435036 23
6708 64 C 46.2564 15.8796 7.01137 -0.00272765 -0.00124399 0.00267215 23
6709 65 C 46.3199 16.8401 5.80928 0.000344479 -0.0010506 0.000145485 23
6710 66 C 46.4532 16.0951 4.47044 -0.00298932 -0.00280615 0.000708192 23
6711 67 C 46.4123 17.0318 3.25623 -0.003862 0.000543637 0.0014026 23
6712 68 C 46.5156 16.2449 1.89956 0.000310514 0.00445385 0.0028252 23
6713 69 F 40.7505 18.7688 22.1237 0.00200749 0.000785497 0.00122051 23
6714 70 C 44.1987 13.3099 14.906 -0.00152545 -0.0032904 -0.00257573 23
6715 71 C 45.1857 13.3488 13.7076 -0.00295271 -0.00294293 0.00116948 23
6716 72 C 44.6645 13.2933 12.2434 -6.28368e-05 -0.00486001 -0.00401704 23
6717 73 C 45.5697 12.5028 11.2869 -0.000217057 -0.000736324 0.00264127 23
6718 74 C 45.0221 12.2128 9.87513 -0.00216263 -0.00341456 0.00161383 23
6719 75 C 45.8786 11.1386 9.17331 -0.00219036 -0.000908011 0.00247661 23
6720 76 C 46.6866 11.6698 7.9311 0.00169124 -0.00412415 0.000453859 23
6721 77 C 45.7774 12.0211 6.70673 0.00108641 -0.00196553 -0.00213805 23
6722 78 C 46.6391 12.3097 5.44279 0.000556382 -0.0039741 -0.00243759 23
6723 79 C 45.8099 12.2519 4.16722 -0.00191841 -0.000175451 0.000177666 23
6724 80 C 46.6829 12.6209 2.94426 -0.0011147 -0.00425541 0.00424988 23
6725 81 C 46.0138 12.5561 1.56967 -0.00063843 0.000860106 -0.000539144 23
6726 82 C 42.3689 19.1856 13.9212 -0.000676686 -0.00142152 -0.00277242 23
6727 83 C 43.018 18.6974 12.6221 -0.00552713 0.0017222 0.00261825 23
6728 84 C 42.2979 19.0114 11.3351 0.00175209 -0.000353743 0.00103899 23
6729 85 C 43.1348 18.9855 10.0623 0.00237474 0.000966484 0.00289961 23
6730 86 C 42.2726 19.2421 8.79707 0.00407966 0.00128976 0.00199159 23
6731 87 C 43.1193 19.7239 7.63922 0.00394637 0.0023786 -0.00010658 23
6732 88 C 42.2986 20.0086 6.38776 -0.00240049 -0.00321084 0.00421344 23
6733 89 C 41.8574 18.7578 5.61701 2.94389e-05 0.00177519 -0.0025413 23
6734 90 C 42.8774 18.4534 4.49401 -0.00387004 -0.000251699 0.000840124 23
6735 91 C 42.5004 19.1671 3.20175 -0.00176236 -5.78486e-05 -0.00351322 23
6736 92 C 43.4298 18.9288 2.00107 0.00118485 -0.0048212 0.000651257 23
6737 93 C 43.3972 17.4417 1.54095 6.77342e-05 0.000187895 -0.000833794 23
6738 94 C 34.8813 16.8458 33.3166 0.00268147 0.000317304 0.000522148 23
6739 95 C 34.783 17.1196 34.8605 0.00303708 -0.000731307 0.00139433 23
6740 96 C 33.3867 16.6423 35.3396 0.000319755 0.00118002 -0.000924053 23
6741 97 C 32.8723 17.1237 36.6966 0.000980644 -0.000895677 0.00139899 23
6742 98 C 33.7204 16.8733 37.9702 -0.00267058 -0.0010669 -0.000568244 23
6743 99 C 32.9758 17.305 39.2244 0.00129495 -0.00143031 -0.00104926 23
6744 100 C 33.6408 16.9329 40.5199 -0.00336992 0.00247133 -0.000366818 23
6745 101 C 32.7518 17.4191 41.7402 -0.000160931 0.00169117 0.000899901 23
6746 102 C 33.4142 16.9691 43.0844 -0.000424654 -0.0034858 0.00244612 23
6747 103 C 32.6462 17.2694 44.3827 -0.000245447 -0.00357066 0.00175576 23
6748 104 C 33.4111 16.7583 45.6273 0.000889478 -0.00108043 -5.43631e-05 23
6749 105 C 32.6076 16.8182 46.9229 0.00269733 -0.000613677 0.00265919 23
6750 106 C 40.715 20.4999 33.7992 -0.00321834 -0.00150781 0.00241525 23
6751 107 C 40.5818 20.6133 35.3369 -0.004206 -0.00351671 0.00131497 23
6752 108 C 41.2956 21.9213 35.7842 0.000311455 -0.00500192 -0.00275087 23
6753 109 C 41.0571 22.2602 37.2949 -7.4158e-05 0.00545593 0.0017095 23
6754 110 C 42.2267 21.8797 38.2165 0.00144398 -0.00171987 0.00217461 23
6755 111 C 42.0683 20.4461 38.7865 0.000161592 0.00271994 -0.00266035 23
6756 112 C 41.0778 20.3742 39.9873 -0.000332712 0.00489148 -0.000389675 23
6757 113 C 41.5827 20.8925 41.3805 -0.00145007 0.000521856 0.00446537 23
6758 114 C 40.5204 20.7016 42.5081 0.00146835 -0.00115886 -0.0010713 23
6759 115 C 41.1832 20.5732 43.8692 0.00153482 -0.000480942 -4.08561e-05 23
6760 116 C 41.7521 21.8592 44.4319 0.00305867 -0.00101028 0.00179833 23
6761 117 C 42.1451 21.7163 45.9594 -0.00155104 0.00105333 -0.00400171 23
6762 118 C 41.1399 13.5627 34.1588 0.0021489 -0.00177729 0.00579966 23
6763 119 C 40.7628 13.3889 35.6499 0.00219403 0.00105813 -0.000204556 23
6764 120 C 41.591 12.3477 36.3874 0.00274291 -0.000303818 -0.00120175 23
6765 121 C 42.0637 12.7649 37.7998 0.00144805 -0.00236313 -0.00169869 23
6766 122 C 41.0272 12.4955 38.9524 -0.00105193 0.000965989 -0.000356711 23
6767 123 C 41.6174 12.8648 40.3253 0.00213547 0.00070715 0.000314337 23
6768 124 C 40.7385 12.5718 41.5311 0.000532508 -0.000935063 0.00292758 23
6769 125 C 41.5058 12.8265 42.8511 0.0020566 0.00295025 -0.00397777 23
6770 126 C 40.5081 12.7348 44.0248 -0.00511031 0.000460836 0.00303974 23
6771 127 C 41.0361 13.3967 45.3186 -0.00275096 -0.00356489 0.00128619 23
6772 128 C 42.0494 12.5353 46.0577 -0.000570995 0.00134405 -0.00482911 23
6773 129 C 41.3697 11.4575 46.8962 -0.00367126 0.001854 0.0062201 23
6774 130 F 39.1511 18.3187 24.2708 0.00069944 -0.00215676 -0.000658193 23
6775 131 H 41.4028 21.0465 31.4225 0.0163404 -0.010351 0.00208191 23
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6777 133 H 40.7105 18.8461 27.8798 -0.00100519 -0.0110557 0.000683416 23
6778 134 H 34.3012 16.7481 30.8393 -0.00413888 -0.00061836 -0.013365 23
6779 135 H 34.6643 16.6595 28.4623 -0.00461624 -0.01754 -0.0018278 23
6780 136 H 36.9432 16.6226 27.4982 -0.00624661 -0.00392817 0.000869451 23
6781 137 H 41.4602 12.6125 31.768 -0.00612049 0.00285482 0.00832191 23
6782 138 H 41.6483 12.6228 29.4051 0.0014335 0.00340033 0.00469712 23
6783 139 H 40.6878 14.3735 28.0399 -0.0125337 0.00398032 0.000388723 23
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6785 141 H 42.3536 15.6162 26.0058 -0.00418517 -9.11725e-05 0.00430434 23
6786 142 H 42.039 12.9254 19.1681 0.00937073 -0.0063951 0.00586817 23
6787 143 H 42.4011 12.7861 16.7702 -0.0102697 0.00362778 0.00609269 23
6788 144 H 42.6869 14.8648 20.4541 0.0016154 -0.00897527 0.000672113 23
6789 145 H 48.8292 17.1071 20.1475 -0.00211869 -0.00892248 0.00561436 23
6790 146 H 49.2532 17.2542 17.6615 0.00316871 0.00690632 0.00285898 23
6791 147 H 46.4763 17.228 21.0382 0.0115492 -0.00741313 0.00102829 23
6792 148 H 41.5933 21.1828 18.5068 -0.00763783 -0.00079535 -0.00595583 23
6793 149 H 41.9988 20.9489 16.053 -0.00429278 0.00174678 0.00134449 23
6794 150 H 44.689 17.0069 15.6891 -0.00448522 0.00368223 0.00302626 23
6795 151 H 42.6317 19.7029 20.1208 -0.00698364 -0.0145298 -0.000828061 23
6796 152 H 38.8779 16.8425 32.7422 0.0047891 0.000458613 0.00199504 23
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6798 154 H 47.3332 15.4647 15.2369 -0.00981865 -0.00218235 -0.0139257 23
6799 155 H 48.1074 15.974 12.9815 0.00226097 0.00287324 -0.00843964 23
6800 156 H 48.2306 17.6958 13.2658 0.00320741 -0.00554049 -0.00261363 23
6801 157 H 45.7544 17.9599 13.6661 0.00197318 0.00154366 0.0041615 23
6802 158 H 45.5232 16.2861 13.629 0.00594408 -0.0096969 -0.0161553 23
6803 159 H 46.1196 18.1285 11.2465 0.000133644 0.000554742 -0.00540505 23
6804 160 H 44.8437 17.0021 11.5803 2.7551e-05 -0.00686137 -0.000106389 23
6805 161 H 46.5429 15.1139 11.4838 0.000461282 -0.00416657 -0.00140539 23
6806 162 H 47.6836 16.2894 10.6892 0.00100614 -0.00148225 0.0117683 23
6807 163 H 44.967 15.352 9.69862 0.00570662 -0.00800737 0.0153446 23
6808 164 H 46.5236 14.6864 9.2346 0.00702086 0.0032571 -0.000497958 23
6809 165 H 47.1717 17.1637 8.47784 -0.00353951 0.00969225 -0.01338 23
6810 166 H 45.4653 17.4081 8.34981 -0.00571285 -0.00675904 0.00736371 23
6811 167 H 45.3618 15.2544 6.90048 0.00413278 -0.00887842 -0.00958164 23
6812 168 H 47.1655 15.2668 6.97631 0.00107337 0.00489905 -0.00658767 23
6813 169 H 47.2135 17.4557 5.97067 -0.00534223 0.00697984 0.000929467 23
6814 170 H 45.4284 17.4793 5.81231 0.0045704 0.00482688 0.00315379 23
6815 171 H 45.6256 15.3753 4.44703 0.00158646 -0.00793445 -0.00314255 23
6816 172 H 47.3721 15.5006 4.39556 0.00626011 0.012273 -0.00546959 23
6817 173 H 47.2858 17.6877 3.35693 0.00156697 -0.00206129 -0.028915 23
6818 174 H 45.5398 17.6918 3.33751 0.000352231 0.00495303 0.0110419 23
6819 175 H 46.5526 16.9476 1.05799 0.00105712 0.010302 0.00773169 23
6820 176 H 47.4356 15.6475 1.9112 -0.00504386 -0.00403181 -0.0117774 23
6821 177 H 45.6484 15.5783 1.81544 0.0066518 -0.00498203 0.0121303 23
6822 178 H 44.7347 12.8329 15.7357 0.013246 -0.00222583 -0.0115064 23
6823 179 H 43.3079 12.6916 14.7403 -0.0046907 -0.00356428 0.0153761 23
6824 180 H 45.8456 14.2112 13.8629 -0.00116393 -0.00352863 -0.00321259 23
6825 181 H 45.8072 12.4607 13.8765 -0.00248144 -4.70622e-05 0.0147949 23
6826 182 H 43.7052 12.7617 12.2216 0.00318878 -0.0109342 0.00143235 23
6827 183 H 44.4413 14.2923 11.8488 0.0198168 -0.00333514 -0.0113663 23
6828 184 H 46.5341 13.0165 11.1897 -0.00159143 0.000865897 -0.00248784 23
6829 185 H 45.8074 11.5476 11.7711 -0.011894 -0.00472253 0.000493247 23
6830 186 H 43.9622 11.9315 9.90379 -0.00449632 0.00617998 0.00980419 23
6831 187 H 45.0626 13.1339 9.28073 -0.00317728 -0.00378071 0.000979481 23
6832 188 H 46.556 10.597 9.84491 -0.0152393 -0.0127769 0.00607946 23
6833 189 H 45.2023 10.3621 8.79504 -0.00206289 -0.00273744 0.00600912 23
6834 190 H 47.2856 12.5607 8.15672 0.00570657 -0.00788792 0.00461958 23
6835 191 H 47.4221 10.9145 7.62801 -0.0115783 -0.0162443 -0.00148616 23
6836 192 H 45.1768 11.1263 6.50173 -0.0113149 0.00656267 -0.00296114 23
6837 193 H 45.0712 12.8233 6.95427 0.000186426 -0.00137871 -0.0066213 23
6838 194 H 47.0622 13.3151 5.55867 -0.000193493 -0.0063446 0.0209922 23
6839 195 H 47.4777 11.6082 5.35299 0.00672088 0.00369567 -0.00485292 23
6840 196 H 45.3772 11.2461 4.10067 -0.00690819 0.00155337 0.00638638 23
6841 197 H 44.9785 12.9587 4.27996 -0.00217436 0.000527352 -0.00616319 23
6842 198 H 47.0784 13.6398 3.03868 0.00246932 -0.00596684 0.00765309 23
6843 199 H 47.5549 11.959 2.87412 -0.00434543 -0.0088674 0.00768647 23
6844 200 H 46.6809 12.9286 0.782544 -0.00369045 -0.00351947 -0.00520322 23
6845 201 H 45.7329 11.5286 1.30742 -0.0111286 0.00205262 0.00600769 23
6846 202 H 45.082 13.1295 1.65017 -0.00949278 -0.013203 -0.00267838 23
6847 203 H 41.4133 18.6575 14.0275 -0.000933124 0.00370511 0.0196963 23
6848 204 H 42.1855 20.2584 13.7841 -0.00684662 -0.000447477 0.0134054 23
6849 205 H 43.9858 19.2131 12.5933 -0.00181578 -0.0056771 -0.00471641 23
6850 206 H 43.2291 17.623 12.689 0.00151917 0.00223462 -0.0111178 23
6851 207 H 41.4628 18.3311 11.1271 0.00115106 -0.00263766 0.0110492 23
6852 208 H 41.8398 20.0034 11.4328 0.00472679 0.00130534 -0.00188798 23
6853 209 H 43.9456 19.7211 10.1337 -0.000995534 0.00575641 -0.00805093 23
6854 210 H 43.5728 17.9932 9.89854 0.00118302 -0.00201596 0.017936 23
6855 211 H 41.7244 18.3342 8.51698 -0.0052628 0.00470052 0.00925342 23
6856 212 H 41.5543 20.0422 9.01485 -0.00857657 -0.012511 0.0108586 23
6857 213 H 43.5684 20.6804 7.93375 -0.00252846 0.00704912 -0.00536669 23
6858 214 H 43.9008 18.9945 7.39322 0.00395325 0.0040148 -0.00494874 23
6859 215 H 41.3742 20.5119 6.69685 -0.00589271 0.00490147 -0.0194671 23
6860 216 H 42.911 20.6895 5.78388 -0.00169329 -0.023634 -0.0180363 23
6861 217 H 41.8106 17.8948 6.29255 0.00283152 0.0077484 0.00527295 23
6862 218 H 40.8478 18.8672 5.20213 -0.00280576 0.000710834 0.00407724 23
6863 219 H 43.8827 18.7222 4.8415 0.000424749 -0.00656569 -0.00672391 23
6864 220 H 42.8879 17.3632 4.37279 -0.00557124 -0.000149699 -0.000214144 23
6865 221 H 41.5003 18.8051 2.93287 -0.0121046 0.00587668 0.0269584 23
6866 222 H 42.4714 20.2558 3.33334 0.00535474 0.000113442 -0.00330993 23
6867 223 H 43.1122 19.5741 1.17275 0.0014372 -0.00601535 -0.000376434 23
6868 224 H 44.4587 19.2207 2.24517 -0.00230328 -0.00248847 0.0125507 23
6869 225 H 43.6873 16.7365 2.32958 0.00322996 -0.0100841 -0.0111685 23
6870 226 H 42.4028 17.1454 1.185 -0.00190798 -0.00789729 0.0114161 23
6871 227 H 44.1097 17.31 0.717271 0.010199 -0.0174269 0.0107526 23
6872 228 H 34.2099 17.5204 32.7711 0.010692 0.00633795 -0.0019081 23
6873 229 H 34.5953 15.7976 33.1655 0.00650433 0.000166233 -0.00564486 23
6874 230 H 35.5296 16.6029 35.4762 -0.00293752 -0.0205009 -0.00797363 23
6875 231 H 34.9168 18.1944 35.0341 -0.00713726 -0.00104471 0.0111709 23
6876 232 H 32.6403 16.8593 34.5655 -0.00797039 -0.0118219 0.00340347 23
6877 233 H 33.3325 15.5557 35.4798 0.0037605 0.000608352 -0.0041227 23
6878 234 H 32.7201 18.2039 36.5809 -0.00733542 -0.00275695 -0.00506516 23
6879 235 H 31.8895 16.6635 36.857 0.000809365 -0.00499116 -0.0114685 23
6880 236 H 34.0211 15.819 38.0076 0.00259669 0.000707422 0.00684203 23
6881 237 H 34.6212 17.4926 37.8785 -0.00640713 0.00384219 -0.00421554 23
6882 238 H 32.8006 18.3872 39.1844 0.00042767 -0.00216152 -0.0171817 23
6883 239 H 31.9554 16.9026 39.2417 0.00265325 -0.00484609 -0.000840583 23
6884 240 H 33.7162 15.8396 40.5676 0.00945092 0.00374377 0.00829063 23
6885 241 H 34.6478 17.368 40.5144 -0.00404933 0.00407672 0.00275827 23
6886 242 H 32.6292 18.5092 41.7326 0.00245801 0.001999 0.00238664 23
6887 243 H 31.7733 16.9295 41.6616 -0.00275876 0.00527807 0.0110039 23
6888 244 H 33.6364 15.8976 43.0074 0.0160235 0.00083528 -0.0105041 23
6889 245 H 34.372 17.5017 43.1314 -0.00268311 -0.000122903 0.0102894 23
6890 246 H 32.5189 18.352 44.5065 0.00523549 -0.00127354 -0.0127924 23
6891 247 H 31.65 16.8102 44.3785 0.00544185 -0.0159635 0.00582471 23
6892 248 H 33.6366 15.6921 45.5021 0.00401782 -0.000919843 0.00418079 23
6893 249 H 34.3826 17.2439 45.7819 -0.00288747 0.00856654 -0.0067547 23
6894 250 H 31.5982 16.4609 46.6843 0.00309859 -0.00223722 0.00340381 23
6895 251 H 33.0576 16.2088 47.7163 -0.00951459 -0.00729595 0.00445841 23
6896 252 H 32.5242 17.8692 47.2259 0.00831054 0.000249462 0.0012284 23
6897 253 H 41.7847 20.4621 33.5591 -0.00101409 -0.00513855 0.0128831 23
6898 254 H 40.4319 21.4576 33.3453 -0.00382623 -0.00281544 4.36829e-05 23
6899 255 H 39.5067 20.668 35.5484 -0.00575956 0.000421837 -0.00749 23
6900 256 H 41.0288 19.7306 35.8105 0.00672108 -0.0046173 -0.0110002 23
6901 257 H 42.3511 21.9301 35.4854 -0.00116162 -0.0102362 -0.00813199 23
6902 258 H 40.9347 22.7715 35.1923 -0.00125314 -0.00765072 -0.00559567 23
6903 259 H 40.9607 23.3502 37.373 0.00878939 0.00750417 -0.0157053 23
6904 260 H 40.1117 21.8114 37.6239 0.000118482 0.00386175 9.61116e-05 23
6905 261 H 43.2234 22.0288 37.7832 0.00422601 -0.00335051 0.00798266 23
6906 262 H 42.1559 22.5626 39.072 0.0135223 0.0136644 -0.00911086 23
6907 263 H 41.747 19.7609 37.9923 0.00778525 -0.00444557 0.000427054 23
6908 264 H 43.0377 20.0451 39.1071 -0.00338723 0.000877349 0.0057548 23
6909 265 H 40.1355 20.8645 39.7134 -0.00175411 0.000319926 -0.00371173 23
6910 266 H 40.7725 19.3256 40.0901 -0.0193686 0.0105654 0.00107546 23
6911 267 H 42.4971 20.3418 41.6336 0.00743529 0.015334 0.00456214 23
6912 268 H 41.8117 21.9595 41.2689 -0.00191216 -0.000291203 -0.0043883 23
6913 269 H 39.8422 21.5637 42.4938 -0.00951194 -0.00962174 0.0110025 23
6914 270 H 39.9334 19.8061 42.2696 0.000673197 -0.00286042 0.00732292 23
6915 271 H 40.3489 20.3075 44.53 0.0078118 -0.0167116 0.00130533 23
6916 272 H 41.9611 19.8003 43.8989 0.00706645 0.00518868 0.00286012 23
6917 273 H 42.6121 22.2385 43.8663 0.00758064 -0.00365521 0.00689076 23
6918 274 H 40.934 22.5861 44.3565 -0.00381157 -0.00984328 -0.00894437 23
6919 275 H 42.8835 22.4814 46.2293 0.00789894 -0.00694214 -0.00723304 23
6920 276 H 41.2633 21.8404 46.6001 0.00133038 0.00577298 -0.000951603 23
6921 277 H 42.5354 20.6976 46.0748 0.0018392 0.00296857 0.00125673 23
6922 278 H 41.1001 12.5571 33.722 0.0159765 -2.99512e-05 0.000525817 23
6923 279 H 42.1976 13.8528 34.1416 0.000474526 0.00357325 -0.00549033 23
6924 280 H 39.7257 13.0407 35.7312 0.000530072 0.00262404 -0.0147187 23
6925 281 H 40.8644 14.3663 36.1376 -0.00951449 0.00609628 -0.00784554 23
6926 282 H 42.4277 12.0619 35.7381 0.00237792 0.0025167 -0.00291103 23
6927 283 H 40.9799 11.4373 36.4214 0.0101035 -0.00490865 0.0072092 23
6928 284 H 42.2809 13.8402 37.7905 -0.0227192 0.00251643 -0.0034133 23
6929 285 H 43.0161 12.2662 38.018 0.00817429 0.00587917 -0.012169 23
6930 286 H 40.7763 11.4276 38.9622 0.0075748 -0.00110638 -0.00387431 23
6931 287 H 40.1279 13.1105 38.8238 -0.00498529 -0.00661166 -0.00890349 23
6932 288 H 41.8587 13.9324 40.3988 -0.00836136 0.0032601 -0.00228787 23
6933 289 H 42.5471 12.2902 40.42 0.0106157 0.0117231 -0.0160508 23
6934 290 H 40.3967 11.535 41.424 -0.00643086 0.00127586 0.00381246 23
6935 291 H 39.8716 13.2426 41.4862 0.00918746 0.0101176 0.000688568 23
6936 292 H 41.9432 13.8325 42.8483 -0.00722381 0.00701291 0.000860383 23
6937 293 H 42.3036 12.0836 42.9735 -0.0119924 -0.0135772 -0.0125301 23
6938 294 H 40.2264 11.6836 44.1629 0.0140633 -0.00433655 0.00577049 23
6939 295 H 39.6065 13.3232 43.8147 -0.0189848 -0.0204773 0.00407779 23
6940 296 H 40.1883 13.5215 46.0035 -0.00729898 -0.00788772 -0.00355593 23
6941 297 H 41.3743 14.4214 45.1209 0.0124411 -0.0108107 -0.0101121 23
6942 298 H 42.7077 13.1614 46.6725 -0.00333035 -0.000229722 -0.000277844 23
6943 299 H 42.6625 12.0004 45.3219 -0.00258506 0.00347996 -0.00805894 23
6944 300 H 40.7858 10.7914 46.249 -0.0146005 0.00804882 0.00973423 23
6945 301 H 40.6984 11.9423 47.6158 -0.00336967 0.00428912 0.00486738 23
6946 302 H 42.0577 10.782 47.4194 0.00855953 0.00907946 -0.000585069 23
6947 1 C 44.7258 27.1112 31.0357 -0.00138838 -0.00298898 0.00464689 24
6948 2 C 44.9898 26.9861 29.6483 0.00407372 0.00226326 0.00166964 24
6949 3 C 44.4697 25.8982 28.9621 -1.73853e-05 -0.00118297 0.000589401 24
6950 4 C 43.849 24.8496 29.6928 0.00261926 -0.000976722 -0.00551431 24
6951 5 C 43.6037 24.9792 31.1014 -0.0007471 0.000981566 -0.00204319 24
6952 6 C 44.0469 26.1575 31.7868 -0.00495854 0.00323338 0.000343606 24
6953 7 C 39.1985 23.5053 30.4928 -0.000838672 -0.00263312 0.000373049 24
6954 8 C 39.4106 23.446 29.0871 0.00393935 -0.000146463 -0.000679332 24
6955 9 C 40.7179 23.3665 28.592 0.000671941 0.00336994 5.70297e-05 24
6956 10 C 41.806 23.4645 29.493 2.69311e-06 0.000293042 0.00252062 24
6957 11 C 41.5675 23.5629 30.8737 5.20479e-05 0.00492427 -0.000404425 24
6958 12 C 40.2582 23.576 31.395 -0.0019189 -0.000110769 -0.00121877 24
6959 13 C 44.8004 20.3375 31.6347 -0.00344172 0.00644683 -0.000575055 24
6960 14 C 45.0303 20.2848 30.2394 0.000114607 0.000213133 -0.00233532 24
6961 15 C 44.6578 21.3267 29.3851 -0.000440137 -0.00562483 -0.000546275 24
6962 16 C 43.9795 22.4115 29.9162 -0.0023006 -0.00238847 -0.00235809 24
6963 17 C 43.3214 23.5355 29.0905 0.000290044 0.000772979 0.000357304 24
6964 18 O 43.898 21.5287 33.5311 -0.000708233 -0.00130082 0.00263393 24
6965 19 O 39.9976 23.6708 32.7246 0.00337808 -0.00117228 0.00163553 24
6966 20 O 43.9276 26.231 33.1579 -0.00152372 0.000463486 0.00109571 24
6967 21 C 44.1118 21.4418 32.1546 0.00196583 -0.00169391 -0.000481613 24
6968 22 C 43.6715 23.4617 27.6446 -0.00206076 -0.00386229 -0.00128495 24
6969 23 C 44.2174 23.4012 26.5721 -0.00263577 -0.0034541 -0.000539365 24
6970 24 C 44.9835 23.4231 25.3366 -0.000614671 -0.00443012 -0.00456014 24
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6978 32 C 46.1718 20.6944 18.5195 -0.00132802 0.00583903 0.000590117 24
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7031 85 C 49.4867 27.8573 10.9085 0.000622898 0.00300864 0.000895251 24
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7045 99 C 37.1261 23.5132 39.2097 -0.00163665 -0.00338094 0.00486898 24
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7048 102 C 37.8886 23.8442 43.0227 -0.00164785 -0.000427056 0.00335569 24
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7050 104 C 37.3964 24.2227 45.551 0.00314965 -0.00259762 -0.000337871 24
7051 105 C 38.7555 23.9394 46.1129 0.00226715 0.00206603 0.000627347 24
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7054 108 C 44.7286 28.254 36.3259 0.000116704 -0.00211191 0.00100854 24
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7057 111 C 44.6295 28.6839 39.8055 -0.00161289 -0.000234262 -0.000841349 24
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7061 115 C 45.5121 27.9965 44.3559 -0.00341509 9.28221e-06 -0.00216266 24
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7065 119 C 44.2738 19.4573 34.8858 0.00327314 -0.00320414 0.00334496 24
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7069 123 C 46.2074 19.5394 39.7502 0.00463498 -0.00206246 0.00404334 24
7070 124 C 45.4891 18.5136 40.6098 0.00279995 -0.00029436 0.00109747 24
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7073 127 C 45.1868 19.6767 44.4249 -0.00222815 0.00395636 -0.00498978 24
7074 128 C 46.0361 19.5602 45.7159 -0.000169642 -0.00233358 0.00118502 24
7075 129 C 45.1538 19.8631 46.9495 0.00207665 -0.00299661 -0.00262687 24
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7877 25 C 10.7687 29.0187 25.4496 -0.00149144 -0.00155479 0.00441109 27
7878 26 C 11.5876 29.2238 24.3554 -0.000189029 0.00427675 0.00176324 27
7879 27 C 11.2026 30.1363 23.3438 -0.00338043 0.00382521 -0.00476864 27
7880 28 C 9.99572 30.8543 23.4807 -0.00164313 0.00241176 -0.00310008 27
7881 29 C 9.17955 30.6729 24.5835 0.00238717 -0.00519525 0.000122983 27
7882 30 C 12.0248 30.3751 22.1929 -0.00151329 0.00425024 -0.00229298 27
7883 31 C 12.5714 30.5842 21.1406 0.000121531 0.00248244 0.000479694 27
7884 32 C 11.4945 27.2177 18.7969 0.00166011 -0.00191715 -0.00213357 27
7885 33 C 11.6725 27.2616 17.3981 -9.44036e-05 0.000732841 -0.00410337 27
7886 34 C 12.2735 28.3359 16.7593 -0.00116169 0.00267307 -0.000962092 27
7887 35 C 12.6472 29.3955 17.5789 -0.00118598 0.00355586 -0.00131759 27
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7889 37 C 11.8832 28.2925 19.5858 0.00548745 0.000692631 0.00695314 27
7890 38 C 12.9729 30.6644 19.6914 -0.00149552 -0.00315456 0.00326709 27
7891 39 C 16.814 30.9175 19.5235 0.000240823 0.0015431 0.00196876 27
7892 40 C 16.989 31.1221 18.1425 0.00286063 -0.00119843 -0.00253203 27
7893 41 C 15.8536 31.0883 17.3325 -0.00227665 -0.00621612 0.00442198 27
7894 42 C 14.6053 30.8024 17.8679 0.00228994 0.00206903 0.00562899 27
7895 43 C 14.4372 30.7374 19.2509 -0.00141776 -0.00571329 0.001186 27
7896 44 C 15.5319 30.7689 20.0995 -0.00414731 0.000444043 0.000674605 27
7897 45 C 10.955 33.8757 18.7406 -0.000861163 0.00290074 0.00337552 27
7898 46 C 11.1897 33.868 17.3792 -0.00372929 0.00125366 0.00151058 27
7899 47 C 11.9461 32.8557 16.7795 -0.00389359 0.000348898 0.000579407 27
7900 48 C 12.5028 31.8621 17.5815 0.00280736 0.00124056 -0.000446442 27
7901 49 C 13.3202 30.6699 17.0441 0.00393683 0.00247176 0.00306554 27
7902 50 C 12.3013 31.8906 18.993 -0.00189258 0.00620613 -0.00157817 27
7903 51 C 11.4976 32.9339 19.5706 -2.37781e-06 0.00257674 0.0026802 27
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7908 56 C 8.41721 28.9791 31.6027 0.00391074 -0.00262191 -0.00152777 27
7909 57 C 16.3854 30.377 15.0942 -0.00517652 -0.000101329 0.00016613 27
7910 58 C 16.2918 31.0058 13.6844 -0.00471345 -0.00182966 0.00139539 27
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7912 60 C 14.8341 31.0768 11.6525 0.000925447 -0.000527437 -0.00195123 27
7913 61 C 14.9676 29.705 10.9614 0.00262879 -0.000952981 0.00193105 27
7914 62 C 15.3194 29.7661 9.47529 0.00190491 0.00144684 -0.00138471 27
7915 63 C 14.6644 30.8809 8.64413 0.00337464 -0.000831004 0.00291636 27
7916 64 C 14.9457 30.8006 7.15747 -0.000535207 0.00305626 0.00407983 27
7917 65 C 14.2379 29.743 6.37127 -0.00558236 -0.00432816 -0.00142722 27
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7919 67 C 13.4007 29.1661 3.97747 -0.00448117 0.000101116 -0.00192983 27
7920 68 C 13.701 29.4197 2.51899 0.000572117 0.000778266 0.000415063 27
7921 69 F 12.6892 28.4394 24.2578 -0.000836 -0.00128106 -0.00222966 27
7922 70 C 13.5587 27.4983 14.8836 -0.00106079 0.000131975 0.000123031 27
7923 71 C 13.2644 26.992 13.4526 0.0027693 -0.00406044 9.88458e-05 27
7924 72 C 14.4443 26.2484 12.8261 -0.00314632 0.00261669 -0.00239141 27
7925 73 C 14.0956 25.4311 11.5606 0.00113437 0.00334305 0.00160819 27
7926 74 C 14.9296 25.7341 10.3251 0.00264607 0.00303926 0.00319647 27
7927 75 C 14.3159 25.0718 9.04825 0.00465098 0.00200833 -0.00227122 27
7928 76 C 14.7989 25.7206 7.73446 0.00274613 -0.000942602 0.0046616 27
7929 77 C 14.0991 25.1026 6.50311 0.00550593 -0.00057069 -0.000698388 27
7930 78 C 14.6486 25.6683 5.20112 0.000216279 0.00292812 -0.000952086 27
7931 79 C 13.7461 25.3593 3.99529 -0.00278642 -0.00310802 -0.00128168 27
7932 80 C 14.3952 25.7026 2.66293 0.00372337 0.00452681 0.00198349 27
7933 81 C 13.5036 25.4575 1.44266 0.000492476 -0.000959193 -0.00133593 27
7934 82 C 11.2286 32.2128 14.5875 0.000817586 0.00180875 -1.91853e-05 27
7935 83 C 11.7564 32.2256 13.1231 -0.00107573 -0.000368631 -0.00276973 27
7936 84 C 10.6624 32.1117 12.028 0.00291635 -0.00321138 -0.000753127 27
7937 85 C 11.2663 32.4405 10.6302 -0.00192982 -0.00243639 0.000762688 27
7938 86 C 10.1898 32.7652 9.5931 0.000353024 0.00289324 0.000329474 27
7939 87 C 10.7741 32.901 8.18149 0.00222794 0.00109072 -0.00208718 27
7940 88 C 10.9026 31.5356 7.5122 -0.00154421 0.00304419 0.000743515 27
7941 89 C 11.3219 31.6376 6.03562 0.00481091 0.000658787 0.00314276 27
7942 90 C 10.3217 32.3287 5.06926 0.000686048 0.00105217 0.000638636 27
7943 91 C 10.5061 31.9535 3.58904 -0.00538338 0.00450772 -0.000630167 27
7944 92 C 11.6762 32.6423 2.88306 -0.00457727 -0.00115763 -0.00125452 27
7945 93 C 11.7006 32.0917 1.44862 0.0042753 0.000840365 -0.00374043 27
7946 94 C 3.47352 31.0656 33.5033 -0.00379563 0.00263266 -0.000967666 27
7947 95 C 3.39055 30.833 35.0474 0.0016368 0.0031503 0.00300312 27
7948 96 C 2.00464 31.2381 35.5884 -0.000379491 0.00281639 -0.00132738 27
7949 97 C 1.73405 30.5047 36.9337 -0.0018737 0.00255241 0.00259608 27
7950 98 C 2.54101 30.9843 38.1412 0.00520262 -0.00289777 -0.000377038 27
7951 99 C 2.0467 30.3399 39.4574 0.00314404 -0.0012101 -0.00435837 27
7952 100 C 2.70357 30.8808 40.7506 -0.00262999 0.00120288 -0.000208104 27
7953 101 C 1.852 30.4822 41.9538 -0.00481791 0.000609889 -0.000656934 27
7954 102 C 2.57606 30.6536 43.2975 -0.000903471 -0.000119465 -0.000365646 27
7955 103 C 1.53609 30.5048 44.4361 -0.00246452 0.00224534 2.85262e-05 27
7956 104 C 2.12265 30.7687 45.8313 -0.00170857 0.00147138 0.00231538 27
7957 105 C 1.21668 30.2853 46.9671 -0.00312592 -0.00184728 0.000981754 27
7958 106 C 9.35208 34.2776 33.7751 0.000394784 -0.000301995 -0.00113488 27
7959 107 C 9.19453 34.4583 35.2796 0.00411745 0.000319732 -0.000158976 27
7960 108 C 10.3582 35.2102 35.9645 0.00277819 0.00306097 0.00458846 27
7961 109 C 10.0646 35.6669 37.4303 0.00158765 0.00209155 0.0043166 27
7962 110 C 10.0704 34.4632 38.3766 0.00134383 0.00431872 -0.0015761 27
7963 111 C 10.3406 34.819 39.8621 -0.000632888 0.00499187 0.00265375 27
7964 112 C 9.36651 35.8737 40.4336 5.00941e-06 -0.00604859 -0.00225089 27
7965 113 C 9.65953 36.1901 41.9341 -0.00266178 -0.000579453 0.000117592 27
7966 114 C 9.45217 34.993 42.9024 0.00331259 0.00189946 -0.00227487 27
7967 115 C 9.56073 35.2787 44.4027 -0.000512318 0.000568318 0.00293089 27
7968 116 C 10.9811 35.5092 44.9252 -0.000558774 -0.000293624 0.00103588 27
7969 117 C 11.0246 35.7679 46.422 0.00542674 0.00108018 0.00387512 27
7970 118 C 9.35577 26.9434 34.6581 0.000648253 0.000556786 -3.44209e-05 27
7971 119 C 8.9481 27.0213 36.1721 0.00403186 0.00199014 -0.00283546 27
7972 120 C 9.59446 25.8816 36.9484 0.00134877 0.00429702 0.000417821 27
7973 121 C 8.77522 25.567 38.2806 0.00141492 -0.000295674 -0.000651671 27
7974 122 C 8.99408 26.6423 39.3359 -0.00107486 0.00606045 -0.00134985 27
7975 123 C 10.207 26.4827 40.2868 -0.00328678 -0.00230755 0.00434352 27
7976 124 C 9.93223 25.5684 41.5239 0.000417218 0.00189498 0.00328047 27
7977 125 C 10.3696 26.2775 42.8517 0.00169739 -2.04731e-05 0.00327393 27
7978 126 C 9.95715 25.4062 44.119 -0.00319219 -0.000544041 -0.00138472 27
7979 127 C 10.4105 26.0944 45.4019 -0.00110138 -0.00303923 -0.000328043 27
7980 128 C 9.85472 25.3944 46.6646 0.00366423 0.00267168 -0.00617466 27
7981 129 C 10.3237 23.9526 46.8423 0.000680988 0.00536318 0.00283629 27
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8161 7 C 7.99082 37.0946 30.6299 -0.000966197 0.00202974 0.000196558 28
8162 8 C 8.18708 37.1561 29.2473 0.00556556 1.6433e-05 0.000823145 28
8163 9 C 9.48699 37.2326 28.7179 -0.00175335 0.00291487 0.000424793 28
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8165 11 C 10.3819 37.088 31.0148 -0.000369588 0.00215804 0.00296503 28
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8168 14 C 13.8968 33.9271 29.917 -0.003534 0.00485574 4.91285e-05 28
8169 15 C 13.4002 35.0127 29.2139 0.00145636 -0.00411645 0.00465905 28
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8171 17 C 12.0509 37.2892 29.2628 0.00366594 -6.09575e-06 -0.00121914 28
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8176 22 C 12.4363 37.3837 27.8574 0.000391148 0.00131242 0.000424139 28
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8180 26 C 15.0391 38.7555 23.9715 0.00212529 0.00142566 -0.00435894 28
8181 27 C 15.3601 37.5523 23.3197 0.000654289 -0.000137097 -0.00198354 28
8182 28 C 14.8425 36.3674 23.8048 -0.00107339 0.00324276 0.00057562 28
8183 29 C 14.0522 36.3133 24.9503 0.00252658 -0.00224745 -0.00489642 28
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8186 32 C 14.9279 34.3324 18.481 0.00224874 -8.23026e-05 0.00282446 28
8187 33 C 15.0366 34.4653 17.0936 -0.000322818 0.00208659 0.00127186 28
8188 34 C 15.7235 35.54 16.5256 6.8746e-05 0.00214431 -0.000437279 28
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8191 37 C 15.5113 35.2999 19.3214 -0.00118465 -0.000392967 0.00209069 28
8192 38 C 16.8456 37.5778 19.5294 -0.00210931 0.00211454 -0.00234124 28
8193 39 C 20.7155 37.6735 19.3041 0.00115384 0.00454106 0.00244075 28
8194 40 C 20.8353 37.7273 17.9003 -0.00182865 0.00195009 -0.00190125 28
8195 41 C 19.7146 37.6599 17.0773 0.0014987 -0.00164055 -0.00325064 28
8196 42 C 18.4512 37.6023 17.6747 -0.00361449 0.00124718 0.001883 28
8197 43 C 18.319 37.6302 19.0889 0.00444975 -0.00127138 0.00142702 28
8198 44 C 19.4609 37.5933 19.8967 0.000363049 0.000263766 0.000171949 28
8199 45 C 15.0783 40.9036 18.7796 -0.00368186 -0.000327618 -0.00503984 28
8200 46 C 15.3176 40.9644 17.4058 -0.00214039 0.00195305 -0.000228003 28
8201 47 C 15.9696 39.9588 16.7463 -0.00355854 -0.00157182 -0.00164783 28
8202 48 C 16.453 38.8572 17.4386 -0.000687864 0.00311706 0.00150459 28
8203 49 C 17.1683 37.6452 16.8712 -0.000975432 0.00123548 0.00025699 28
8204 50 C 16.2482 38.8154 18.8534 0.00130873 0.00140166 -0.000764281 28
8205 51 C 15.5779 39.8704 19.5373 -0.00103789 -0.00116746 -0.000787518 28
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8208 54 O 16.08 40.0076 15.3834 0.00126561 0.0010469 0.0033836 28
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8210 56 C 12.4888 35.9133 31.3001 -0.00154745 -0.00224851 0.00317997 28
8211 57 C 20.5485 36.5195 15.0981 -0.000420849 0.00171749 0.00138469 28
8212 58 C 19.6559 35.8464 14.0442 -0.000150775 -0.0021628 -0.00411971 28
8213 59 C 19.5446 36.7447 12.7955 -0.000973187 -0.0033745 -0.00282256 28
8214 60 C 19.0705 36.0565 11.4585 -0.000174431 0.00262383 0.00242459 28
8215 61 C 18.7201 37.1051 10.3299 -0.00385695 -0.00482716 -0.00174191 28
8216 62 C 18.7084 36.4889 8.9279 -0.00194873 -0.000791365 -0.00010953 28
8217 63 C 18.4872 37.5537 7.81649 -0.00263619 0.00243965 -0.00115271 28
8218 64 C 18.7408 36.9434 6.44722 0.00258057 -0.000321988 -0.00295365 28
8219 65 C 18.2683 37.8297 5.26944 -0.00235122 0.00161902 -0.00303388 28
8220 66 C 18.4061 37.1145 3.90245 -0.00288759 0.00281894 -0.00156569 28
8221 67 C 18.1812 38.0936 2.74522 0.000534327 2.95766e-05 -0.00138403 28
8222 68 C 18.1218 37.4945 1.32709 -0.00423542 -0.0016991 -0.000314607 28
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8225 71 C 15.7281 35.404 12.8617 0.00181009 0.000326572 -0.00200533 28
8226 72 C 15.5244 34.471 11.65 0.000778272 0.00151023 0.000752483 28
8227 73 C 15.1787 35.2762 10.4127 -0.00293323 -0.00403945 0.000644898 28
8228 74 C 15.0176 34.4485 9.11051 0.00546448 -9.0738e-05 0.00579867 28
8229 75 C 14.9811 35.3704 7.87184 -0.00490069 0.00119115 -0.0016694 28
8230 76 C 14.8062 34.588 6.53817 0.00236667 0.000433476 0.000730553 28
8231 77 C 15.0283 35.544 5.36291 -0.00114545 -0.00230682 0.0029857 28
8232 78 C 14.956 34.9306 3.91366 0.00121415 0.000659197 0.00153277 28
8233 79 C 14.6992 36.0186 2.86513 0.00113309 -0.00143865 0.000384298 28
8234 80 C 14.403 35.4775 1.44852 6.63127e-05 -0.00207427 0.000203878 28
8235 81 C 14.1618 36.7052 0.516509 0.00267161 -0.000225836 -0.00139762 28
8236 82 C 17.3375 40.1366 14.7052 -0.00273278 -0.00194887 -0.00237824 28
8237 83 C 17.0283 39.7772 13.2603 0.000446971 -0.00118048 -0.000198635 28
8238 84 C 18.1557 40.1987 12.2964 -0.000849164 -0.0033419 0.00257484 28
8239 85 C 18.0942 41.6482 11.861 0.00159969 -0.00332793 0.00021577 28
8240 86 C 19.0111 41.9509 10.6836 0.000631688 0.000733224 -0.00454372 28
8241 87 C 18.4165 41.4715 9.33139 -0.00303613 0.00322347 -0.00362946 28
8242 88 C 19.178 41.9246 8.07926 -0.00291901 0.00403286 -0.00185313 28
8243 89 C 18.4759 41.5097 6.77774 0.00268559 0.0006996 0.00185216 28
8244 90 C 18.972 42.2339 5.51002 0.00497137 0.00149852 -0.00156972 28
8245 91 C 18.379 41.601 4.20659 -0.000116196 0.00069917 -0.00183115 28
8246 92 C 18.7809 42.3263 2.88385 -0.000651773 -0.000708076 0.000568264 28
8247 93 C 18.4646 41.594 1.58615 0.00264515 0.00265876 -0.00184462 28
8248 94 C 7.51263 37.2484 33.5286 -0.00146622 0.00364925 -0.00176052 28
8249 95 C 7.68341 37.6637 34.9965 0.00389815 -0.00296465 0.000249529 28
8250 96 C 6.55291 37.2206 35.9398 -0.00151117 0.00110432 0.00196857 28
8251 97 C 6.39197 38.0527 37.231 0.000255284 -0.00218931 0.00424786 28
8252 98 C 6.02655 37.1936 38.501 -0.00227517 -0.00351744 0.000248056 28
8253 99 C 6.13448 38.0174 39.839 0.000459193 -0.00359487 -0.0019816 28
8254 100 C 5.86078 37.1217 41.0558 -0.000757574 0.00310661 0.0043783 28
8255 101 C 6.11228 37.8385 42.3887 0.00267107 -0.00688431 0.00211415 28
8256 102 C 5.73218 36.866 43.5249 -0.000879021 0.00072234 0.00202675 28
8257 103 C 6.14498 37.2945 44.935 0.00215214 -0.00340403 -0.000270178 28
8258 104 C 5.80158 36.2296 45.9934 -0.00183588 -0.00166788 0.00109468 28
8259 105 C 6.89384 36.2026 47.1212 0.00371919 0.00494523 0.000407762 28
8260 106 C 13.688 39.8365 34.5681 0.000643811 0.000312406 0.00110248 28
8261 107 C 13.4115 41.2453 35.1959 -0.000450816 0.00256398 0.0010313 28
8262 108 C 14.1922 41.2786 36.543 0.00501376 -0.00137077 0.000505427 28
8263 109 C 13.8961 42.4713 37.4389 -0.0049517 -0.0035577 -0.00127964 28
8264 110 C 14.5622 42.4367 38.8285 -0.000774798 -0.00151628 -4.32816e-05 28
8265 111 C 14.0846 41.2836 39.7235 0.00135287 -0.00131731 0.00139769 28
8266 112 C 13.3593 41.6491 41.0096 0.0040803 -0.00168519 -0.00315779 28
8267 113 C 14.2261 42.1983 42.1326 -0.000150684 0.000828944 -0.00162917 28
8268 114 C 13.4706 42.2264 43.4747 0.000161936 0.00430096 -0.00106406 28
8269 115 C 14.3985 42.5977 44.605 0.00128594 0.00193494 0.00137799 28
8270 116 C 13.7399 42.4819 45.9876 -0.00540204 0.00348592 -0.00561704 28
8271 117 C 14.685 42.8095 47.1644 -0.00399963 -0.00320365 -0.000388193 28
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8273 119 C 13.7665 32.9722 34.6092 -0.00349789 0.00331614 0.000310762 28
8274 120 C 13.5661 32.8385 36.1588 0.00355988 -0.00170492 -0.000191841 28
8275 121 C 14.6326 31.9841 36.84 0.000334015 0.00106127 -0.00353851 28
8276 122 C 14.2593 31.7128 38.327 0.000800081 0.000769437 6.17579e-05 28
8277 123 C 14.3155 32.9699 39.1821 -0.00249804 -0.00653384 -0.000463324 28
8278 124 C 14.1194 32.5423 40.6271 -0.000217269 0.00513444 -0.0013516 28
8279 125 C 14.2495 33.6987 41.6554 -0.00341163 0.000434217 -0.00297074 28
8280 126 C 14.2617 33.2509 43.1534 0.00216646 -0.00223223 0.00240528 28
8281 127 C 14.5124 34.4646 44.1188 -0.0023956 -0.00174559 -0.000849413 28
8282 128 C 14.8395 34.0721 45.5964 -0.000149201 -0.00494496 0.00123136 28
8283 129 C 13.7946 33.1774 46.2911 -0.0035163 0.000179721 -0.00495934 28
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8325 171 H 17.6559 36.3205 3.80186 0.0108449 -0.0102691 -0.000477274 28
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8330 176 H 19.1085 37.1202 1.02728 -0.00885213 -0.00852129 -0.00698351 28
8331 177 H 17.8332 38.2242 0.560541 -0.000156604 0.00884723 0.00821341 28
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8334 180 H 14.9291 36.1556 12.8527 0.00465356 0.00328942 -0.00712676 28
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8343 189 H 15.9489 35.8852 7.83168 -0.00901521 0.010277 0.0159293 28
8344 190 H 15.5837 33.8179 6.46181 0.00367955 0.000891964 0.00954944 28
8345 191 H 13.8346 34.0839 6.4656 0.000372692 0.00437231 0.000112641 28
8346 192 H 14.2844 36.3456 5.45026 0.00210093 0.000586971 0.00397359 28
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8352 198 H 15.249 34.8606 1.12106 0.00491152 0.000674548 0.00751253 28
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8355 201 H 13.3173 37.3318 0.829114 0.00499844 0.000960357 0.00253185 28
8356 202 H 15.0226 37.3838 0.560282 0.00349779 -0.00155735 0.00300209 28
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8358 204 H 18.114 39.5025 15.1505 0.00361649 0.00756547 0.000185074 28
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8360 206 H 16.1432 40.3682 12.9944 -0.00262083 -0.00701286 -0.00290173 28
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8363 209 H 17.0768 41.965 11.6004 0.00569964 0.0110544 0.00158604 28
8364 210 H 18.3471 42.2793 12.7219 -0.0217694 0.0038751 0.00183666 28
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8366 212 H 20.0501 41.6326 10.8337 -0.000314474 0.00271024 0.00617819 28
8367 213 H 18.4093 40.377 9.258 0.0030529 0.00206057 0.0136093 28
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8369 215 H 19.3163 43.0126 8.09872 -0.00156274 0.00361732 0.0117908 28
8370 216 H 20.1857 41.4931 8.12271 -0.000606537 0.00976312 0.00146326 28
8371 217 H 18.6338 40.4363 6.61543 -0.00766191 -0.0012067 0.00446237 28
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8373 219 H 18.6741 43.2896 5.5238 -0.0084454 -0.00232836 0.000846054 28
8374 220 H 20.0655 42.2331 5.42283 0.00549719 -0.0102974 0.00548553 28
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8377 223 H 18.2456 43.2833 2.85123 0.0140457 0.00762105 0.00403025 28
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8379 225 H 18.5653 42.3138 0.764517 0.00296809 0.00255607 -0.00189597 28
8380 226 H 19.1734 40.7975 1.32778 0.00102608 -0.000379707 0.00312344 28
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8383 229 H 7.14972 36.219 33.419 0.00679256 -0.00119355 0.0166125 28
8384 230 H 8.65161 37.3079 35.37 0.00190372 0.0024649 0.0106135 28
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8388 234 H 7.33023 38.5916 37.4115 -0.00123214 0.0014081 0.00125106 28
8389 235 H 5.61897 38.8247 37.1315 0.00227761 -0.00352162 -0.0213897 28
8390 236 H 5.0123 36.783 38.4228 -0.0100752 0.0146301 0.00607336 28
8391 237 H 6.71548 36.3448 38.592 -0.00801175 -0.00795979 0.00224655 28
8392 238 H 7.11777 38.5005 39.8949 0.0057544 -0.0125879 -0.0170466 28
8393 239 H 5.38157 38.8123 39.7712 0.00284614 -0.000696534 0.00573127 28
8394 240 H 4.80917 36.8097 41.0431 -0.00507001 0.0177399 0.0013352 28
8395 241 H 6.47844 36.2151 41.0623 -0.0063428 -0.000749873 -0.00570739 28
8396 242 H 7.18214 38.0471 42.5122 0.00368986 -0.0110909 0.000412142 28
8397 243 H 5.61152 38.8098 42.4846 0.0168532 0.00135421 -0.0070553 28
8398 244 H 4.65324 36.6683 43.5103 0.000978735 -0.010541 0.0161352 28
8399 245 H 6.21644 35.894 43.3693 -0.00371905 0.00286833 -0.0199858 28
8400 246 H 7.21182 37.5498 44.9263 0.000903903 0.00231334 0.0131344 28
8401 247 H 5.72028 38.2888 45.1202 0.00949689 -0.00185574 0.00825691 28
8402 248 H 4.83938 36.5192 46.4335 -0.00716313 0.00194363 -0.0129408 28
8403 249 H 5.79494 35.2489 45.5019 -0.00341212 0.00151862 -0.00525281 28
8404 250 H 6.99805 37.1614 47.6438 0.00541526 -0.00232473 0.0134267 28
8405 251 H 6.60984 35.4832 47.8992 0.00499141 0.00489262 0.000821752 28
8406 252 H 7.90655 36.0126 46.7448 0.00284223 0.00181288 -0.000349024 28
8407 253 H 13.7243 39.1132 35.3921 -0.00898682 -0.0106227 -0.00804995 28
8408 254 H 14.6596 39.7655 34.0639 -0.00161461 -0.0136722 -0.00132362 28
8409 255 H 13.7147 42.0281 34.4898 0.00387774 -0.00973259 -0.0107748 28
8410 256 H 12.3515 41.359 35.4547 -0.00294312 0.0126093 -0.0137048 28
8411 257 H 14.0126 40.3388 37.0796 0.00650579 -0.0032507 -0.00227834 28
8412 258 H 15.2447 41.2592 36.2345 0.00234322 0.0107764 -0.00938592 28
8413 259 H 14.1564 43.3958 36.9088 -0.00330659 -0.000576906 0.00472039 28
8414 260 H 12.8235 42.5063 37.6662 -0.0031853 -0.00967753 0.00807519 28
8415 261 H 15.647 42.416 38.6668 -0.00196638 0.0136816 -0.0102602 28
8416 262 H 14.3104 43.3877 39.3138 -0.00627353 0.000334263 -0.00649061 28
8417 263 H 13.4164 40.6124 39.1699 0.0112889 -0.00642784 -0.00439373 28
8418 264 H 14.9476 40.6835 40.0374 0.00477305 -0.00507167 -0.0152564 28
8419 265 H 12.5616 42.3621 40.7676 0.00512619 0.00118648 0.00186559 28
8420 266 H 12.8611 40.7421 41.3738 0.00673201 -0.00117441 0.00173989 28
8421 267 H 15.1268 41.5797 42.23 -0.00893133 -0.00665775 0.0319083 28
8422 268 H 14.5719 43.2171 41.9182 -0.00739483 0.00429474 0.00313014 28
8423 269 H 12.7231 43.0293 43.4647 -0.00502094 -0.000726599 -0.0152867 28
8424 270 H 12.9687 41.2651 43.64 0.00757876 0.00214333 0.00881739 28
8425 271 H 15.2157 41.8662 44.6244 0.00362678 0.0053427 0.0328503 28
8426 272 H 14.8529 43.5787 44.4189 0.0209867 -0.00436604 0.0162056 28
8427 273 H 12.8448 43.1087 46.0846 -0.00447315 0.00221886 0.0113501 28
8428 274 H 13.446 41.4308 46.0977 0.00828677 0.00182958 0.0151369 28
8429 275 H 15.1212 43.8161 47.1624 -0.00726796 -0.00177858 0.00380421 28
8430 276 H 14.2113 42.6704 48.144 -0.00083275 -0.00469928 0.00093645 28
8431 277 H 15.5467 42.131 47.1872 0.00937111 0.0138557 0.00284028 28
8432 278 H 11.6186 33.2021 34.519 -0.00448888 -0.0110557 -0.011536 28
8433 279 H 12.3082 32.5434 33.0356 -0.0161092 -0.0143341 0.0144285 28
8434 280 H 14.5311 33.7237 34.3767 0.00447885 -0.00885355 -0.0127449 28
8435 281 H 14.0772 32.0095 34.1849 -0.0127577 0.00170788 -0.00287762 28
8436 282 H 12.5595 32.4554 36.3675 -0.00565265 0.0147369 -0.0143278 28
8437 283 H 13.5984 33.8139 36.6598 0.00706102 -0.00546029 0.00691533 28
8438 284 H 15.6188 32.4545 36.7426 0.00712111 -0.0123667 0.000264216 28
8439 285 H 14.7229 30.9879 36.3897 -0.00960628 -0.00205139 0.00132871 28
8440 286 H 15.0322 31.0379 38.7152 0.000730695 0.00188928 0.00214611 28
8441 287 H 13.265 31.2544 38.3943 0.000141517 -0.000266362 -0.0166174 28
8442 288 H 13.5112 33.6594 38.8971 -0.00302787 -0.00789458 -0.00225937 28
8443 289 H 15.2559 33.5247 39.0763 -0.0123904 0.0111245 0.00391715 28
8444 290 H 14.8175 31.7367 40.8859 0.00259144 0.010469 0.00765573 28
8445 291 H 13.1328 32.0672 40.6919 0.00100445 0.00167291 -0.00803754 28
8446 292 H 13.4858 34.4663 41.4793 0.00166956 0.00409604 -0.00909727 28
8447 293 H 15.2083 34.2022 41.4806 0.00822284 -0.0197617 0.00263156 28
8448 294 H 15.063 32.5403 43.3908 0.00395103 -0.000920144 0.000291019 28
8449 295 H 13.3114 32.7843 43.4408 0.00394873 -0.00904223 -0.00280018 28
8450 296 H 13.6052 35.0808 44.0957 -0.0032243 -0.00322539 -0.00789648 28
8451 297 H 15.3231 35.0554 43.6748 -0.00569388 0.00554447 0.00285081 28
8452 298 H 15.049 34.9518 46.2173 0.00159055 -0.00478666 0.000422266 28
8453 299 H 15.786 33.518 45.5713 0.00118862 -0.00286517 0.00581908 28
8454 300 H 12.8295 33.6749 46.1344 0.000478291 0.00795829 -0.00498797 28
8455 301 H 14.0288 33.1494 47.3624 -0.0064785 -0.0109166 -0.00461355 28
8456 302 H 13.7606 32.1506 45.9066 -0.00895552 0.00248983 -0.0106352 28
8457 1 C 17.3028 33.753 31.3226 0.000209168 -0.00159554 -0.00196254 29
8458 2 C 17.5098 33.6916 29.9298 -0.000629235 -0.000518471 0.00328044 29
8459 3 C 17.0586 32.5649 29.2326 0.00302038 0.000925977 0.00296856 29
8460 4 C 16.4844 31.4725 29.9954 -0.00672351 0.0014 -0.00345984 29
8461 5 C 16.3135 31.5242 31.395 4.60523e-05 -0.00409822 -0.000856824 29
8462 6 C 16.7643 32.6996 32.0848 -0.00135937 0.0079368 -0.000962543 29
8463 7 C 11.8627 30.0986 30.7829 0.000231815 -0.000925855 -0.00210109 29
8464 8 C 12.0709 30.0524 29.3977 0.00161977 -0.00131189 0.000758575 29
8465 9 C 13.3618 30.2189 28.8609 -0.00148296 -0.00284386 0.000942093 29
8466 10 C 14.4652 30.2582 29.7499 -0.00144369 0.00091154 0.00148624 29
8467 11 C 14.2682 30.2758 31.1491 0.000702385 -0.000883908 -0.00274215 29
8468 12 C 12.9385 30.1863 31.6755 0.000352396 0.00306692 -0.00355708 29
8469 13 C 17.248 26.8362 31.613 0.000393082 -0.000250071 0.00129521 29
8470 14 C 17.4323 26.8397 30.2421 -0.00100385 0.000225246 -0.000511432 29
8471 15 C 17 27.879 29.4336 -0.000643065 -0.00144005 0.000822629 29
8472 16 C 16.4663 29.0218 30.0831 0.00390651 -0.0024294 0.00210451 29
8473 17 C 15.938 30.1987 29.3355 0.000191114 0.00423461 -0.00164043 29
8474 18 O 16.569 27.8082 33.6826 0.00173365 0.000186058 0.00148179 29
8475 19 O 12.721 30.111 33.0436 0.000669157 0.00440973 0.00356428 29
8476 20 O 16.7421 32.8388 33.4845 0.00113824 5.97075e-05 0.00366525 29
8477 21 C 16.68 27.9392 32.292 -0.00213725 0.00165042 -0.00349785 29
8478 22 C 16.1649 30.1705 27.888 -0.00191563 0.000292855 0.000183866 29
8479 23 C 16.5866 30.3019 26.7565 0.00171435 -0.00462386 -0.00811704 29
8480 24 C 17.4111 30.494 25.6014 0.00139025 0.00296731 0.00679741 29
8481 25 C 17.2806 31.6461 24.7821 -0.000589308 0.00212292 -0.000341064 29
8482 26 C 18.2547 31.8898 23.7755 -0.00215873 -0.0045837 -0.0019989 29
8483 27 C 19.2991 30.9561 23.5992 0.000977767 -0.00318756 -0.00496465 29
8484 28 C 19.4593 29.8862 24.4679 0.00198902 -0.00061925 0.000281819 29
8485 29 C 18.5144 29.678 25.5128 -0.00108316 0.00241487 -0.00046575 29
8486 30 C 20.0973 31.1146 22.453 0.000232531 -0.00108379 0.000765761 29
8487 31 C 20.5315 31.172 21.3176 0.0032785 -0.00183119 -0.00194178 29
8488 32 C 19.1925 27.6122 19.25 0.00241554 -0.00287165 -0.00330747 29
8489 33 C 19.4772 27.5397 17.8871 0.0043871 -0.00249732 0.00387937 29
8490 34 C 20.0967 28.5749 17.1852 -0.000277623 0.00365606 0.000888881 29
8491 35 C 20.4297 29.7457 17.8952 0.00406764 -0.000333622 -0.00224481 29
8492 36 C 20.2675 29.7971 19.287 0.00247425 0.00160227 0.000920079 29
8493 37 C 19.5891 28.7553 19.9736 0.00458154 -0.00305116 0.000293722 29
8494 38 C 20.7888 31.0915 19.8878 0.000567096 0.000775593 -0.00271811 29
8495 39 C 24.6016 30.7931 19.6684 0.00169006 0.00137125 0.00472182 29
8496 40 C 24.797 30.8029 18.2852 0.000424598 -0.000741407 0.00210655 29
8497 41 C 23.6946 30.9798 17.4182 -0.00288481 0.00529158 -0.000534825 29
8498 42 C 22.4382 31.0289 18.0075 0.00258534 0.000969107 0.00327743 29
8499 43 C 22.2706 31.1036 19.4123 0.000637137 -0.000109223 -0.000529514 29
8500 44 C 23.3317 31.0549 20.2637 0.000539309 0.00353933 0.00291138 29
8501 45 C 18.886 34.3293 18.7515 -0.00208248 0.000798996 0.000201624 29
8502 46 C 19.1264 34.2173 17.3662 -0.00216654 -0.000921791 0.00214277 29
8503 47 C 19.9046 33.1724 16.839 -0.00205695 0.00133635 -0.00236002 29
8504 48 C 20.3127 32.1436 17.7047 -0.0017287 -0.000690511 -0.00154549 29
8505 49 C 21.1309 30.9248 17.2558 0.00572401 0.000486507 -0.0035265 29
8506 50 C 20.119 32.2573 19.0927 0.00333033 0.000685351 -0.00541471 29
8507 51 C 19.4212 33.3539 19.6101 0.00175304 0.0024132 -0.00211381 29
8508 52 O 23.9034 31.1096 16.0621 -0.00102451 -0.00306985 0.000765207 29
8509 53 O 20.4994 28.349 15.9188 0.000100417 0.00423087 -0.00482513 29
8510 54 O 20.0938 33.0281 15.476 -0.00228879 0.000423201 0.00075513 29
8511 55 C 15.5556 30.3189 31.9864 -0.00224951 -0.0026819 -0.00259526 29
8512 56 C 16.2946 29.0722 31.5131 -0.00137566 0.000958726 0.00326823 29
8513 57 C 23.5251 30.1098 15.1219 0.00192164 0.0023582 -0.00215847 29
8514 58 C 23.3744 30.8131 13.7571 -5.3342e-05 -0.00360189 0.000394262 29
8515 59 C 22.7211 29.9259 12.662 -0.00154786 -0.00234093 0.0033504 29
8516 60 C 22.6395 30.6931 11.3062 0.00252341 -0.000398528 0.000297224 29
8517 61 C 22.0867 29.8811 10.1013 -0.00134489 0.00361104 0.00200559 29
8518 62 C 21.9354 30.8857 8.95452 0.00178456 0.00251035 0.000834528 29
8519 63 C 21.6426 30.3328 7.55156 -0.00480648 -0.000875221 0.00381125 29
8520 64 C 22.9312 30.0147 6.79734 -0.000169556 -0.00398348 0.00340763 29
8521 65 C 22.8462 30.3551 5.26175 -0.00153507 -0.00095001 -0.00017305 29
8522 66 C 21.6336 29.8776 4.43798 0.00191299 -0.0022885 0.0021311 29
8523 67 C 21.8829 30.2574 2.96076 0.00107989 -0.00403306 -0.0020931 29
8524 68 C 20.7874 29.728 2.03359 0.000580629 -0.00146271 -0.00156382 29
8525 69 F 18.1594 33.0112 22.9829 -0.0049791 0.000243757 -0.00206901 29
8526 70 C 20.9669 27.0508 15.4936 0.00263334 -0.00134226 0.00166499 29
8527 71 C 21.6258 27.1063 14.1416 -0.00314625 -0.00137391 0.000783468 29
8528 72 C 21.9747 25.6554 13.6528 -0.000704531 -0.0014929 0.0033228 29
8529 73 C 22.5055 25.4359 12.1811 0.000821299 -0.00170263 0.00558719 29
8530 74 C 21.7479 26.1224 11.0488 -0.00135494 -0.000653624 0.00670146 29
8531 75 C 22.3442 25.5808 9.70592 -9.99021e-05 -0.00342623 0.000820432 29
8532 76 C 21.7481 26.2731 8.42475 -0.00160941 0.00300675 -0.000173949 29
8533 77 C 22.2969 25.5777 7.15919 -0.000842454 0.00151115 0.00247107 29
8534 78 C 21.8862 26.2517 5.78713 -0.000972571 -0.00072472 -0.00115289 29
8535 79 C 22.5956 25.6179 4.58712 0.00406048 0.000865549 -0.005636 29
8536 80 C 22.3835 26.3521 3.24968 -0.00417014 0.00441424 0.00169101 29
8537 81 C 23.1192 25.67 2.10328 0.00392796 0.00164297 -0.00428435 29
8538 82 C 19.1125 32.2124 14.8676 -0.00278183 0.000189132 -0.000311687 29
8539 83 C 19.5873 31.8008 13.4294 0.00288834 -0.000110855 -8.5719e-05 29
8540 84 C 19.1577 32.6944 12.2665 -0.00151054 0.000185733 0.00530476 29
8541 85 C 18.767 31.976 10.9421 -0.00265755 0.000105379 0.00131254 29
8542 86 C 18.7462 32.9626 9.73282 0.00270598 -0.00390659 0.000965484 29
8543 87 C 18.5607 32.3014 8.34914 -0.00295212 -0.000380244 0.000597903 29
8544 88 C 18.6378 33.3679 7.23859 0.000570793 -0.00454742 9.3395e-05 29
8545 89 C 18.8966 32.9269 5.76357 -0.000577165 -0.00177353 2.1589e-06 29
8546 90 C 17.8289 32.0555 5.01223 0.00244833 -0.00246158 0.000965699 29
8547 91 C 18.1423 32.2409 3.49517 -0.00531207 0.00104511 -0.00268171 29
8548 92 C 17.2474 31.4047 2.57543 -0.00157381 0.000431647 -0.00164572 29
8549 93 C 15.9727 32.1645 2.24324 -0.00360382 -0.00527479 0.00232208 29
8550 94 C 11.357 29.9449 33.5966 0.00108933 0.000102251 -0.00174299 29
8551 95 C 11.1986 30.0375 35.1216 3.90653e-05 -0.00715761 -0.00386736 29
8552 96 C 9.81662 30.5511 35.5663 -0.00355942 0.00200003 0.00641955 29
8553 97 C 9.72257 31.2588 36.942 -0.00219271 -0.00234504 0.00125275 29
8554 98 C 10.0122 30.3814 38.1429 0.00130167 0.00324918 -0.00607229 29
8555 99 C 10.2459 31.2428 39.4268 -0.00102524 -0.00430587 -0.00238576 29
8556 100 C 10.2809 30.4044 40.7595 -0.000542191 -0.00135793 -5.91226e-05 29
8557 101 C 10.4825 31.2476 42.0369 0.00334062 -0.00262076 0.00100502 29
8558 102 C 10.5357 30.4716 43.3448 -0.00259726 0.00169745 0.00148123 29
8559 103 C 10.4551 31.4549 44.5163 0.00107393 -0.00146033 0.00287211 29
8560 104 C 10.4851 30.81 45.9275 0.00100476 -0.00331299 -0.00268095 29
8561 105 C 10.1068 31.7997 47.0448 0.00316702 -0.00295246 -0.00466096 29
8562 106 C 17.402 33.9933 34.0804 0.00171672 -0.00152549 0.0021512 29
8563 107 C 17.3305 34.0452 35.6194 0.00171673 -0.000790255 -0.00192583 29
8564 108 C 18.1524 35.1852 36.2665 0.00522057 -0.00372341 -0.00257075 29
8565 109 C 17.6733 35.354 37.7289 0.000300367 -0.00294246 -0.00259847 29
8566 110 C 18.7599 35.9868 38.5869 0.00230719 -0.000534433 0.00205365 29
8567 111 C 18.2447 36.3713 39.9495 -0.000219745 0.00152606 0.00348955 29
8568 112 C 18.0864 35.2089 40.94 -0.00276758 0.00419831 0.00355502 29
8569 113 C 18.058 35.6602 42.3942 -0.00250023 0.000298922 0.000131279 29
8570 114 C 18.2401 34.519 43.3735 0.00160078 0.00382018 -0.00131292 29
8571 115 C 18.3547 35.0705 44.7988 -0.00183863 -6.16736e-05 -0.00231164 29
8572 116 C 18.5408 33.8901 45.7873 -0.000769783 0.00273054 -0.000105424 29
8573 117 C 18.5492 34.4114 47.2059 -0.0019371 -0.00139586 0.00362365 29
8574 118 C 17.0975 26.6237 34.3824 0.00275111 0.00216942 -0.000216472 29
8575 119 C 17.114 26.7641 35.8884 0.00078694 -0.000741213 0.00131474 29
8576 120 C 17.906 25.6219 36.6108 -0.00235856 -0.00186704 0.00177423 29
8577 121 C 17.793 25.5631 38.1638 0.00369071 0.00132787 -0.00153387 29
8578 122 C 17.713 26.9203 38.9115 0.00271931 0.00119206 -0.00230324 29
8579 123 C 17.4312 26.8601 40.4527 0.00225834 -0.00353515 -0.000267028 29
8580 124 C 18.3666 25.8866 41.1978 0.00312341 0.00025857 -0.00589809 29
8581 125 C 18.6589 26.3263 42.6561 0.000501399 0.0010117 -0.0030569 29
8582 126 C 17.6597 25.9219 43.7011 -0.000799372 -0.00102513 0.00270428 29
8583 127 C 18.3567 26.0675 45.0909 -0.00436023 -0.00285882 0.00313808 29
8584 128 C 17.5803 25.4753 46.2866 0.00254148 -0.0014206 -0.00168353 29
8585 129 C 16.5841 26.4964 46.7775 -0.000339355 0.00337217 -0.000412589 29
8586 130 F 16.283 32.5575 25.024 -0.00121945 0.00249673 0.000130445 29
8587 131 H 17.722 34.6255 31.8148 0.00625407 0.000399277 -0.0106599 29
8588 132 H 18.0215 34.5036 29.4217 0.00303828 -0.0049097 -4.04096e-05 29
8589 133 H 17.1907 32.4976 28.1568 0.00102458 -0.00802137 0.00326862 29
8590 134 H 10.848 29.9985 31.1569 0.00256439 -0.00160981 0.00405411 29
8591 135 H 11.2514 29.9267 28.6963 -0.00105114 0.0110488 0.00167277 29
8592 136 H 13.5117 30.2317 27.7854 -0.00665782 -0.00482686 0.000200266 29
8593 137 H 17.5715 25.9413 32.1363 0.00356016 0.000328618 0.000325338 29
8594 138 H 17.8279 25.9717 29.723 0.00181939 -0.00423169 0.00913039 29
8595 139 H 17.115 27.8006 28.3565 -0.00593079 -0.00507427 0.000524034 29
8596 140 H 20.2917 29.1996 24.3442 -0.000755895 -0.00460139 0.00388551 29
8597 141 H 18.6515 28.8058 26.145 0.0154117 -0.0014729 -0.00932985 29
8598 142 H 18.6416 26.7854 19.6885 0.00319782 -0.00295706 -0.00249102 29
8599 143 H 19.158 26.6292 17.3885 0.00836527 -0.000218114 -0.00281198 29
8600 144 H 19.401 28.7303 21.0429 0.00278623 0.00560177 0.000158455 29
8601 145 H 25.4761 30.6992 20.3055 0.00364095 -0.00799199 0.000649872 29
8602 146 H 25.7851 30.6411 17.8646 -0.0030189 -0.000539293 -0.00606352 29
8603 147 H 23.1963 31.0901 21.3406 0.0120858 -0.00997226 0.00480747 29
8604 148 H 18.2948 35.1482 19.1506 -0.00545373 0.00209379 -0.00742451 29
8605 149 H 18.7104 34.9867 16.7225 0.0111902 0.00537959 0.0010393 29
8606 150 H 21.1861 30.8434 16.1632 -0.00650538 0.0152043 -0.00525024 29
8607 151 H 19.3033 33.4412 20.6861 0.00141291 0.0136153 -0.00306932 29
8608 152 H 15.4157 30.325 33.0744 0.00447382 -0.00622743 -0.00170512 29
8609 153 H 24.3089 29.3436 15.0766 0.00150432 0.00121507 0.00980212 29
8610 154 H 22.5949 29.6106 15.42 0.00425218 0.00291631 0.00606334 29
8611 155 H 24.333 31.2512 13.4526 -0.00517478 0.00289266 -0.00642444 29
8612 156 H 22.7663 31.7196 13.8653 0.00681815 0.000982987 0.000684699 29
8613 157 H 21.7127 29.7211 13.0422 0.000909611 -0.00720489 0.00724791 29
8614 158 H 23.2531 28.9727 12.5539 -0.00548993 -0.00530634 0.0100785 29
8615 159 H 23.6564 31.0012 11.0332 -0.00338625 0.0123069 -0.00725359 29
8616 160 H 21.9709 31.5418 11.4961 -0.00724682 -0.00556921 -0.0109731 29
8617 161 H 21.1299 29.4358 10.4011 0.00322742 0.00365452 0.016749 29
8618 162 H 22.7538 29.0339 9.89943 0.00414233 0.00903993 -0.00254987 29
8619 163 H 22.8573 31.4761 8.88423 0.00569738 -0.00253047 0.009885 29
8620 164 H 21.1203 31.5544 9.25752 0.000263125 0.00383901 -0.00620921 29
8621 165 H 21.1398 31.1079 6.96018 -0.000256429 -0.00132207 -0.000662213 29
8622 166 H 21.0346 29.4204 7.58844 -0.00667123 -9.21509e-05 -0.0076037 29
8623 167 H 23.2754 28.9954 7.01195 -0.00112185 -0.00813893 -0.0148943 29
8624 168 H 23.7622 30.6333 7.15813 -0.00485884 0.00685995 -0.00439142 29
8625 169 H 23.7524 30.0203 4.74199 -0.0082726 -1.85672e-05 -0.0125515 29
8626 170 H 22.7929 31.4482 5.1862 -0.00500348 -0.000717195 0.00557992 29
8627 171 H 20.7515 30.3963 4.83331 -0.000223187 -0.00870358 0.00578943 29
8628 172 H 21.396 28.8089 4.50775 0.0181845 -0.006682 -0.010016 29
8629 173 H 22.8454 29.8664 2.60851 0.000246994 -0.00499812 -0.00329923 29
8630 174 H 21.9241 31.3466 2.83717 -0.00377447 -0.00326224 0.00309751 29
8631 175 H 19.7879 30.0992 2.2919 -0.00179887 -0.00257445 -0.00912793 29
8632 176 H 20.7688 28.6313 2.04924 0.00275404 -0.00173693 -0.0175488 29
8633 177 H 20.9695 30.0721 1.00801 0.000325674 0.0143506 0.0036865 29
8634 178 H 21.639 26.6619 16.2684 0.00717759 -0.00323747 -0.00324415 29
8635 179 H 20.1325 26.3429 15.4159 0.00227467 0.000702178 -0.0131398 29
8636 180 H 20.9233 27.5888 13.4508 0.00302924 0.0057805 -0.000492354 29
8637 181 H 22.5324 27.7205 14.2056 -0.000428715 -0.00547874 0.00172796 29
8638 182 H 22.6981 25.2085 14.3459 0.00322514 -0.00164596 -0.000876854 29
8639 183 H 21.1065 24.9879 13.7165 0.00820741 -0.0121903 0.0127607 29
8640 184 H 23.555 25.7519 12.1371 0.00249408 -0.00845486 -0.00281653 29
8641 185 H 22.534 24.3527 12.0098 0.000928423 -0.00254141 0.0108734 29
8642 186 H 20.6761 25.8886 11.0568 -0.00151203 -0.000629958 -0.00993898 29
8643 187 H 21.8693 27.2111 11.1086 -0.00178019 -0.000464553 0.00414822 29
8644 188 H 23.4247 25.7669 9.66925 -0.00236936 0.00814998 -0.00800316 29
8645 189 H 22.1994 24.4974 9.61223 0.0184427 -0.00550866 -0.00387948 29
8646 190 H 20.6581 26.1527 8.45186 -0.000586737 -0.00750725 -0.00559383 29
8647 191 H 22.0042 27.3392 8.39047 0.00489079 0.00108533 -0.0116421 29
8648 192 H 23.3888 25.472 7.15334 -0.00120964 -0.00216749 -0.00529824 29
8649 193 H 22.009 24.5201 7.11302 0.00231867 -4.69758e-06 0.0178643 29
8650 194 H 20.8026 26.1968 5.62521 -0.00120916 0.000761543 -7.71053e-05 29
8651 195 H 22.1489 27.3128 5.87888 0.00589171 -0.00232896 -0.00228892 29
8652 196 H 23.6576 25.4995 4.83527 0.000479648 -0.0159492 0.00177426 29
8653 197 H 22.2281 24.593 4.45406 0.00121965 0.00064262 0.00396059 29
8654 198 H 21.3167 26.3371 2.9943 -0.0104608 -0.00168912 0.0283629 29
8655 199 H 22.7198 27.3943 3.31374 0.0124238 -0.000182516 -0.0106206 29
8656 200 H 22.9856 26.2689 1.19397 0.00481497 0.00644773 -0.00124949 29
8657 201 H 24.1818 25.5764 2.35925 -0.00196473 -0.00212879 0.018912 29
8658 202 H 22.692 24.6801 1.90105 -0.00545764 0.0082264 -0.0167125 29
8659 203 H 19.1032 31.2899 15.4611 -0.00832571 0.00310133 0.00411214 29
8660 204 H 18.103 32.6417 14.8651 -0.000888286 0.00461054 -0.00420494 29
8661 205 H 20.681 31.721 13.4568 0.00266681 -0.00483365 -0.0051915 29
8662 206 H 19.2156 30.789 13.2261 -0.0160551 0.00612599 0.00348922 29
8663 207 H 18.2816 33.2716 12.5869 -0.000309914 0.00627733 -0.00237733 29
8664 208 H 19.9371 33.4354 12.0503 0.0053052 -0.0106901 -0.00735077 29
8665 209 H 19.496 31.1787 10.7514 0.00837121 0.010618 -0.000413562 29
8666 210 H 17.8022 31.47 11.0714 0.00533493 -0.0197983 -0.0169329 29
8667 211 H 17.864 33.59 9.91012 0.0078521 0.00629058 -0.00978726 29
8668 212 H 19.6741 33.5468 9.76704 -0.00811573 0.0134537 -0.00314397 29
8669 213 H 19.3241 31.5346 8.16893 0.00141228 0.00223475 0.00794736 29
8670 214 H 17.5765 31.8215 8.28259 -0.00764468 0.00819223 0.00813972 29
8671 215 H 17.7951 34.0664 7.31147 0.0053594 0.000199515 0.0103011 29
8672 216 H 19.4656 34.0627 7.42711 0.000215997 -0.00480723 0.00258137 29
8673 217 H 19.107 33.8541 5.21644 0.0131996 -0.00284182 0.0034501 29
8674 218 H 19.8422 32.3711 5.74397 0.00659575 0.0101 0.00940242 29
8675 219 H 17.8211 30.9995 5.30913 -0.0172603 -0.00355998 -0.00333424 29
8676 220 H 16.8184 32.409 5.25163 0.00465921 0.00563022 -0.00167996 29
8677 221 H 18.0603 33.3074 3.2516 0.000655855 0.00231458 0.000861653 29
8678 222 H 19.1855 31.9583 3.30739 -0.00395494 0.00760802 -0.00500511 29
8679 223 H 17.7607 31.264 1.61617 0.000198552 0.0181467 -0.00330242 29
8680 224 H 16.9537 30.4156 2.9479 -0.00409284 0.00478546 0.00788794 29
8681 225 H 15.4162 32.2363 3.1859 -0.00577558 -0.00156916 0.000751868 29
8682 226 H 16.261 33.1881 1.97413 8.46078e-05 -0.00906084 -0.00800995 29
8683 227 H 15.3544 31.6437 1.5017 -0.0061575 0.0171632 -0.0112449 29
8684 228 H 10.6718 30.6718 33.1433 0.00765065 0.00599355 -0.00218574 29
8685 229 H 10.9835 28.9637 33.2785 -0.00829471 0.00355464 -0.0013841 29
8686 230 H 11.2943 29.0541 35.5982 -0.00777169 -0.00207957 0.00822669 29
8687 231 H 11.9873 30.686 35.5226 0.0040668 -0.0111402 -0.00534836 29
8688 232 H 9.5242 31.308 34.8281 -0.00135747 -0.00514522 -0.00178139 29
8689 233 H 9.03723 29.7822 35.4972 -0.00815622 0.00712192 0.00123134 29
8690 234 H 10.4211 32.1033 36.8937 -0.00764544 0.00145384 -0.0116801 29
8691 235 H 8.725 31.7124 36.992 0.0040483 0.010348 0.0104236 29
8692 236 H 9.1262 29.7714 38.358 0.00760734 -0.00081339 0.00846231 29
8693 237 H 10.8536 29.712 37.9255 -0.00703059 -0.00828011 -0.00282606 29
8694 238 H 11.1622 31.8173 39.2429 -0.00286075 -0.00224147 -0.00512285 29
8695 239 H 9.43093 31.9727 39.5082 -0.000480509 -0.00338977 -0.00514185 29
8696 240 H 9.3699 29.8021 40.8635 -0.00775214 0.00888576 -0.00399827 29
8697 241 H 11.0933 29.672 40.6753 -0.00383851 -0.00643264 0.0123197 29
8698 242 H 11.3954 31.8403 41.9003 0.00619182 -0.00694209 0.00132356 29
8699 243 H 9.66383 31.9774 42.0613 0.000945862 -0.00582652 0.0156385 29
8700 244 H 9.65208 29.8226 43.3834 0.00236941 -0.00515072 6.97336e-05 29
8701 245 H 11.3803 29.774 43.4022 -0.000735521 0.00220314 -0.0200133 29
8702 246 H 11.2925 32.1634 44.5063 -0.00185765 0.00205112 0.00560331 29
8703 247 H 9.55456 32.0629 44.3653 -0.00366154 -0.012087 -0.0117782 29
8704 248 H 9.87819 29.8969 45.9625 -0.00207873 -0.00128506 -0.00342883 29
8705 249 H 11.4941 30.4743 46.1967 0.00373481 -0.000803886 -0.009839 29
8706 250 H 10.0273 31.2709 48.0027 -0.00367605 -0.000640026 -0.00395357 29
8707 251 H 10.8176 32.6317 47.1223 0.00984802 -0.00914431 0.000312891 29
8708 252 H 9.14832 32.2531 46.7633 0.0109634 0.00578015 -0.0172589 29
8709 253 H 18.4474 34.0516 33.753 -0.00040211 -0.00638547 -0.00547103 29
8710 254 H 16.8553 34.8687 33.7087 -0.010761 -0.0116354 -0.00338202 29
8711 255 H 16.2849 34.2826 35.8513 -0.000148343 -0.00338343 -0.0076939 29
8712 256 H 17.6551 33.1005 36.073 0.0108684 -0.00471207 -0.0166076 29
8713 257 H 19.2275 34.9694 36.2347 0.00681288 0.00422825 -0.00265449 29
8714 258 H 18.0027 36.1086 35.6935 0.00662027 -0.00460308 -0.00435344 29
8715 259 H 16.7883 36.0017 37.7524 0.000910991 -0.00240373 0.00561513 29
8716 260 H 17.3861 34.3968 38.1814 -0.0131578 0.000729294 -0.00336947 29
8717 261 H 19.5375 35.224 38.7175 -0.0077064 -0.0106549 0.00269053 29
8718 262 H 19.2292 36.8393 38.0805 0.0103352 -0.000657273 0.00927154 29
8719 263 H 18.9739 37.0736 40.3718 0.00893137 6.71544e-05 -0.00992089 29
8720 264 H 17.3153 36.953 39.915 0.00330919 0.00626737 -0.0111996 29
8721 265 H 17.1879 34.6526 40.6458 -0.00603291 0.00242861 0.0169431 29
8722 266 H 18.9891 34.6099 40.7675 -0.00196153 0.00496361 0.00511989 29
8723 267 H 18.8435 36.4141 42.5286 -0.00649567 0.00399126 0.00284214 29
8724 268 H 17.152 36.2191 42.6591 -0.00781715 -0.000864081 -0.0157235 29
8725 269 H 17.406 33.8181 43.2454 -0.00455746 0.010261 0.00357216 29
8726 270 H 19.1763 34.0109 43.1113 0.00247488 0.00469221 0.000115281 29
8727 271 H 19.2322 35.7195 44.9095 -0.0044604 0.0016755 0.00844127 29
8728 272 H 17.4784 35.6707 45.0732 0.00713053 0.00711761 0.0107078 29
8729 273 H 17.7773 33.1278 45.5888 0.00482869 -0.00626724 0.0130627 29
8730 274 H 19.4683 33.37 45.5179 -0.00370948 -0.00534138 0.0053719 29
8731 275 H 18.7878 33.5519 47.8444 -0.00344733 -0.00829546 -0.00507073 29
8732 276 H 19.3253 35.1779 47.3222 -0.0106005 0.00889019 -0.00627842 29
8733 277 H 17.5952 34.8731 47.4892 -0.00147352 0.000273659 0.00246722 29
8734 278 H 16.5068 25.7496 34.0817 0.00501477 -0.00334178 0.0113876 29
8735 279 H 18.1358 26.4641 34.0663 0.00383547 0.00939772 -0.000316301 29
8736 280 H 16.0781 26.7706 36.2494 0.00531386 0.00773193 0.0141796 29
8737 281 H 17.5746 27.7166 36.1779 0.0100807 -0.00798614 0.0104325 29
8738 282 H 18.9778 25.6471 36.3785 -0.00109106 -0.00587424 0.00715818 29
8739 283 H 17.599 24.6344 36.2447 -0.0084248 0.000238863 0.00120189 29
8740 284 H 18.6054 24.9303 38.542 -0.00526424 -0.00445901 0.00806128 29
8741 285 H 16.9064 24.9858 38.454 0.000572169 0.0019778 -0.00978049 29
8742 286 H 16.9273 27.6069 38.5729 0.0109668 0.0109263 -0.0017926 29
8743 287 H 18.6207 27.5123 38.7409 0.00298679 0.00403233 0.00891595 29
8744 288 H 16.39 26.575 40.6476 0.00344154 -0.00480317 0.00419986 29
8745 289 H 17.6002 27.8673 40.8532 -0.0125908 0.00177734 -0.0074119 29
8746 290 H 19.3124 25.8291 40.6451 -0.00146622 0.0167111 -0.0154491 29
8747 291 H 17.9783 24.8614 41.1602 -0.00065904 0.00109636 0.0105848 29
8748 292 H 18.8513 27.4047 42.7139 0.00610376 0.000989087 -0.0210682 29
8749 293 H 19.6057 25.8294 42.9011 0.00201322 0.00238764 -0.0060957 29
8750 294 H 17.3681 24.8811 43.5136 -0.00176083 -0.000631518 0.00201353 29
8751 295 H 16.7569 26.5451 43.7068 -0.00676733 -0.00963041 -0.00383785 29
8752 296 H 18.6271 27.1122 45.2881 -0.00250336 -0.00385903 0.00588841 29
8753 297 H 19.2897 25.4935 45.0328 -0.00730685 -0.00553331 -0.0183112 29
8754 298 H 18.2594 25.2212 47.1099 0.00244359 0.0131205 0.00288259 29
8755 299 H 17.0149 24.568 46.0406 0.0142581 -0.00814097 -0.00379132 29
8756 300 H 15.9882 26.1299 47.6225 0.00448933 0.0108636 0.00624418 29
8757 301 H 15.8325 26.7353 46.0149 -0.000836467 0.00765185 0.00141466 29
8758 302 H 17.1031 27.4131 47.0833 0.000420307 0.00274483 0.000179468 29
8759 1 C 21.5013 40.4724 31.6394 -0.00110541 0.00016377 -0.00139021 30
8760 2 C 21.768 40.3999 30.2866 -0.00428663 0.00240497 -0.00206631 30
8761 3 C 21.2373 39.3329 29.5879 -0.000278754 0.00135485 -0.00194862 30
8762 4 C 20.5536 38.3126 30.2405 -0.000571952 -0.000346596 0.00214659 30
8763 5 C 20.3074 38.3661 31.6454 -0.00357301 0.00162546 0.00446583 30
8764 6 C 20.8075 39.496 32.3618 0.0018402 0.0013212 -0.000800575 30
8765 7 C 15.8599 37.2614 30.7744 0.00209611 -0.00486395 0.00249735 30
8766 8 C 16.1134 37.302 29.4043 0.000786513 -0.00164221 -0.00040126 30
8767 9 C 17.4484 37.2162 28.95 0.00171117 0.00225078 0.0025352 30
8768 10 C 18.4958 37.1195 29.921 0.000248322 0.00248924 0.00122817 30
8769 11 C 18.2245 37.1634 31.3339 -0.000963559 -0.00113724 -0.000372047 30
8770 12 C 16.8812 37.2201 31.7838 0.00445428 0.00132026 -0.00381494 30
8771 13 C 21.5748 33.7739 31.7683 -0.00130167 0.00170601 0.00143724 30
8772 14 C 21.658 33.7798 30.3929 -0.00568357 0.000210651 -0.00729425 30
8773 15 C 21.0977 34.8273 29.645 -0.00034116 0.0049933 0.00204015 30
8774 16 C 20.4886 35.9067 30.2952 -0.00286502 -0.000221816 0.00147364 30
8775 17 C 19.9443 37.1158 29.5393 0.000648192 0.00214875 -0.00333979 30
8776 18 O 20.8649 34.7375 33.8617 -0.00204062 -0.000791803 0.000833155 30
8777 19 O 16.6131 37.1906 33.169 -0.00272635 -0.000506143 -0.00453856 30
8778 20 O 20.687 39.6598 33.751 -0.000123872 -0.000562727 0.00285792 30
8779 21 C 20.9159 34.8187 32.4784 0.00236745 0.000409455 0.00274902 30
8780 22 C 20.3043 37.0974 28.0814 0.00487769 0.00436598 -0.00302963 30
8781 23 C 20.8146 37.132 26.9543 -0.000938998 -0.00796222 -0.00166079 30
8782 24 C 21.6175 37.2384 25.7573 0.00100752 -0.00322038 0.00049552 30
8783 25 C 21.2447 38.1458 24.7718 0.00279555 -0.00207872 -0.00268278 30
8784 26 C 22.0001 38.2238 23.591 0.00117727 0.00179445 -0.00650781 30
8785 27 C 23.183 37.5179 23.4942 0.00405785 0.00209336 -0.00506032 30
8786 28 C 23.6116 36.6443 24.525 0.00309316 -0.00111317 -4.47962e-05 30
8787 29 C 22.7877 36.4817 25.6167 -0.00159806 -0.000397931 -0.00227537 30
8788 30 C 23.8912 37.5258 22.2187 0.00345616 -0.00299569 -0.000727036 30
8789 31 C 24.3456 37.5741 21.095 0.00356277 -0.000752743 0.00418821 30
8790 32 C 22.7283 34.4208 18.6824 0.000743299 0.00145298 0.00273398 30
8791 33 C 22.9565 34.4263 17.3112 -0.00453213 0.00352608 -0.000921433 30
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8793 35 C 24.059 36.5766 17.5287 -0.00085989 -0.00138262 0.00318496 30
8794 36 C 23.8423 36.5344 18.9148 -0.00294244 -0.000699245 -0.00199402 30
8795 37 C 23.2141 35.4352 19.5263 -0.00026695 0.000651422 -0.000179571 30
8796 38 C 24.5804 37.645 19.6321 -0.00256082 0.00221699 -7.89116e-05 30
8797 39 C 28.473 37.3393 19.4759 -0.0056946 0.000555522 0.00322488 30
8798 40 C 28.6232 37.3982 18.0685 -0.00148859 -0.000490665 0.000344447 30
8799 41 C 27.5024 37.4601 17.2299 0.00176186 0.00209377 -0.00169163 30
8800 42 C 26.2465 37.6228 17.8032 0.00219696 0.0012508 -0.000788519 30
8801 43 C 26.0246 37.5382 19.1916 0.000271868 0.00299084 0.00374105 30
8802 44 C 27.1611 37.3496 20.0147 -0.00262924 -0.00259959 0.00381702 30
8803 45 C 23.0755 41.1198 18.9134 0.000636124 -0.00520644 -0.00225864 30
8804 46 C 23.2137 41.1706 17.5339 -0.000466756 -0.00349026 0.000417139 30
8805 47 C 23.9119 40.1455 16.8483 0.00143162 -0.00211131 -0.00146874 30
8806 48 C 24.2568 39 17.5825 -0.00307932 -0.00127316 0.00492056 30
8807 49 C 24.9231 37.7448 17.0072 0.00361582 -0.00376783 0.00203501 30
8808 50 C 24.0955 38.9497 18.9962 0.000789552 0.00229773 -0.000803006 30
8809 51 C 23.5142 40.0388 19.6316 0.00188698 -0.000704064 0.000296301 30
8810 52 O 27.5948 37.5236 15.8531 -0.00144514 -0.000891495 0.00569554 30
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8813 55 C 19.5313 37.1268 32.1624 0.00157745 0.00303457 -0.000128984 30
8814 56 C 20.3373 35.8852 31.7074 0.00143089 -0.00249272 0.000692612 30
8815 57 C 28.1739 36.3808 15.1758 0.000224725 0.00103164 0.00249339 30
8816 58 C 27.1617 35.9901 14.0214 0.00118738 0.00161685 0.00507231 30
8817 59 C 27.1271 37.0905 12.9465 -0.00152361 0.000839657 0.0021195 30
8818 60 C 26.5275 36.6682 11.6089 0.00247208 -0.000229894 -0.000551669 30
8819 61 C 26.5838 37.6652 10.4264 0.00109261 -0.00482387 -0.00211694 30
8820 62 C 26.3717 36.9476 9.1048 -0.00291976 0.000656992 0.00115841 30
8821 63 C 26.3476 37.9387 7.9205 -0.00113946 -0.00239048 -0.0029691 30
8822 64 C 26.3084 37.1064 6.65027 0.00148369 -8.94407e-05 0.00165861 30
8823 65 C 26.0248 37.9597 5.42703 -0.00282193 0.00208118 0.00128457 30
8824 66 C 25.863 37.0605 4.18233 0.00184236 -0.00032763 -0.00100358 30
8825 67 C 25.5482 37.8694 2.87203 -0.000615868 0.00211911 -0.0051375 30
8826 68 C 24.9736 36.9813 1.74768 -0.00412943 0.00135546 -0.000290441 30
8827 69 F 21.6187 39.0634 22.5902 0.000509548 0.000106212 0.00143316 30
8828 70 C 23.4013 34.5475 14.5226 -0.00353362 -0.00123155 -0.0028912 30
8829 71 C 23.7905 35.0305 13.1143 -0.0035083 -0.000642376 -0.000543964 30
8830 72 C 22.8387 34.5052 12.0565 -0.000272286 0.00106412 0.00105531 30
8831 73 C 23.2789 34.7953 10.6125 0.00154753 -0.00202659 0.000703865 30
8832 74 C 22.1577 34.3167 9.6522 0.000354217 0.00103062 0.000993274 30
8833 75 C 22.493 34.0947 8.17144 0.00303772 0.000335998 -0.00306338 30
8834 76 C 22.7956 35.4312 7.47769 -0.00159075 -0.00032994 -0.0030242 30
8835 77 C 23.0756 35.3347 5.97115 0.0017591 -0.000347185 -0.00104205 30
8836 78 C 21.9425 34.6494 5.15412 -0.00299245 0.00354795 -0.000563557 30
8837 79 C 22.054 35.0914 3.68223 0.00327116 0.000761686 -0.00251403 30
8838 80 C 21.0289 34.4332 2.73023 -0.00159296 0.00316434 0.000416464 30
8839 81 C 21.1295 35.0121 1.34384 -0.00232984 0.000630407 -0.00103652 30
8840 82 C 25.184 40.4949 14.7496 0.00165656 0.00115954 0.00457162 30
8841 83 C 24.8438 40.5613 13.2354 0.00097745 -3.73764e-05 -0.000595028 30
8842 84 C 25.9526 41.0544 12.2869 0.00157443 -0.00449523 0.00343505 30
8843 85 C 25.3092 41.5881 10.9647 -0.00261561 0.001338 -0.00127835 30
8844 86 C 26.3044 41.6448 9.77392 0.00408953 -0.000696658 0.00100854 30
8845 87 C 25.6356 42.4714 8.66141 -0.000445007 -0.00125606 -0.00622094 30
8846 88 C 26.3684 42.6176 7.27085 0.00474129 0.00209044 0.00207997 30
8847 89 C 26.2051 41.3206 6.43417 0.00353666 -0.00472206 0.000947295 30
8848 90 C 25.7209 41.5503 4.95901 -0.00449817 -0.00398039 -0.00242891 30
8849 91 C 26.8445 42.1609 4.08503 0.00154518 -0.00599017 0.00419134 30
8850 92 C 26.476 42.4619 2.59022 -0.000681025 0.00211267 -0.000588977 30
8851 93 C 26.1556 41.2321 1.74201 -0.000315267 -0.000598242 0.000507492 30
8852 94 C 15.2922 36.8328 33.6164 0.00189015 0.00212502 0.00188984 30
8853 95 C 15.1633 36.9172 35.1395 0.00299945 0.00421134 0.000266389 30
8854 96 C 13.8011 36.466 35.7071 -0.00607711 0.000213836 0.00234079 30
8855 97 C 13.8382 36.1676 37.1882 -0.00114873 -0.00338714 0.000554743 30
8856 98 C 13.9603 37.3841 38.1715 0.00266216 0.00033774 0.00433796 30
8857 99 C 14.0474 36.8286 39.5939 -0.000515005 -0.00165177 -0.00618153 30
8858 100 C 14.0346 37.9353 40.6568 -0.00121285 -0.00316337 -0.000483214 30
8859 101 C 14.0623 37.3424 42.0791 0.000290561 2.18199e-05 6.22223e-05 30
8860 102 C 14.1172 38.4088 43.1672 -2.5945e-05 -8.51389e-05 5.69995e-05 30
8861 103 C 14.2669 37.8303 44.5684 0.00113755 0.00394377 -0.00136617 30
8862 104 C 14.3626 38.9314 45.6243 -0.00303542 0.00252716 -0.00126276 30
8863 105 C 14.7716 38.3374 46.9789 0.000548352 -0.00153343 -0.00429446 30
8864 106 C 21.5862 40.5383 34.4388 0.00302985 -0.00119472 0.00322053 30
8865 107 C 21.3256 40.7671 35.9574 0.000490542 -0.00205823 0.000344909 30
8866 108 C 22.1787 41.9144 36.5212 0.0058955 0.00091579 0.000912882 30
8867 109 C 21.7077 42.3966 37.8995 -0.00405278 0.00278462 0.00122093 30
8868 110 C 21.9782 41.4154 39.075 0.00326905 0.00236368 -0.00283368 30
8869 111 C 21.9297 42.1711 40.4092 0.00146059 -0.000295121 -0.00102313 30
8870 112 C 21.9296 41.1715 41.6127 -0.00237383 -0.0026821 -0.00105975 30
8871 113 C 21.9933 41.9752 42.9421 0.000152269 -0.00134139 -0.00332652 30
8872 114 C 21.8305 41.1144 44.2129 -0.00249176 0.00331575 0.00287011 30
8873 115 C 21.9468 41.9643 45.4934 0.0026095 0.000858384 -0.00297325 30
8874 116 C 21.8612 41.1486 46.8158 -0.00351256 -0.00434361 -0.00110544 30
8875 117 C 21.978 42.0194 48.0642 -3.73372e-05 -0.000580686 0.00470532 30
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8877 119 C 21.8669 33.3601 35.7517 0.000259847 0.00126403 0.00137358 30
8878 120 C 21.2551 32.8709 37.0658 0.000846312 0.00100514 -0.00392113 30
8879 121 C 22.1983 32.9094 38.2833 -0.000377186 0.00203747 -0.00111001 30
8880 122 C 21.3683 32.6315 39.5566 0.00313256 0.00169457 0.000664719 30
8881 123 C 22.2526 32.2088 40.7223 1.58197e-05 -9.64011e-05 0.00308289 30
8882 124 C 22.9514 33.2931 41.5152 -0.00116158 0.00256473 0.00190239 30
8883 125 C 22.4619 33.3787 42.9893 0.00034938 -0.00116866 0.00268481 30
8884 126 C 22.9665 32.1777 43.7926 0.00225359 -0.00172566 -0.00309547 30
8885 127 C 22.2357 31.9179 45.0959 0.0020475 0.00136565 0.00283196 30
8886 128 C 22.3319 33.0561 46.1167 -0.00192754 -0.000926727 -0.00425915 30
8887 129 C 21.7688 32.53 47.4523 0.000704716 0.00233794 0.00184552 30
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8900 142 H 22.1954 33.5974 19.1486 0.00721641 -0.00346749 0.00143358 30
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8904 146 H 29.6115 37.3771 17.6188 0.00128512 0.00184917 0.00633285 30
8905 147 H 27.0126 37.3005 21.0893 0.000692321 -0.017785 0.0035704 30
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8910 152 H 19.3896 37.1356 33.2501 0.0105205 0.00722663 0.00100825 30
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8921 163 H 25.4214 36.3996 9.11218 -0.00594547 0.00555937 -0.020274 30
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8926 168 H 27.2823 36.6195 6.51651 0.00160363 -0.00402417 0.0168594 30
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8934 176 H 25.0056 37.5426 0.805681 0.00552333 2.84228e-05 -0.000752505 30
8935 177 H 23.9326 36.7451 2.00017 -0.00488177 0.00616909 0.00111926 30
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9012 254 H 21.4557 41.5452 34.0234 0.0101008 0.00433001 0.0143678 30
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9062 2 C 25.7181 33.5609 29.8486 0.00346908 0.00321897 0.000646256 31
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9065 5 C 24.199 31.637 31.2424 0.00125344 0.000805688 -0.000683171 31
9066 6 C 24.7927 32.7328 31.9451 0.00088097 -0.000271509 -0.00382235 31
9067 7 C 19.6418 30.3334 30.6623 -0.000744352 0.00179741 -0.00114747 31
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9070 10 C 22.2116 30.4119 29.6677 -0.00189265 0.000345056 0.00370695 31
9071 11 C 22.0298 30.4112 31.096 0.00453865 0.00184469 -0.00308842 31
9072 12 C 20.7059 30.3985 31.5981 0.000113454 -0.000760271 -0.00452331 31
9073 13 C 25.3228 27.1544 31.6151 -0.000818959 0.000908718 -0.00244182 31
9074 14 C 25.5293 27.1253 30.2336 -0.0033973 0.000970475 -0.00065226 31
9075 15 C 25.0403 28.1094 29.3905 -0.00310231 0.00111676 -0.00109752 31
9076 16 C 24.3186 29.1442 29.999 -0.00310739 -0.00221627 -0.00660057 31
9077 17 C 23.7048 30.3243 29.2311 0.00228254 0.00399286 0.00114914 31
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9081 21 C 24.6016 28.2057 32.1897 0.00536702 0.00108624 0.000142942 31
9082 22 C 23.9404 30.2693 27.7848 0.00240649 -0.00271197 0.00103473 31
9083 23 C 24.4703 30.3357 26.6908 0.00237083 0.00201958 -0.00239527 31
9084 24 C 25.1985 30.497 25.4871 0.0021662 -0.000786833 -0.0012734 31
9085 25 C 25.4108 31.7882 24.9477 0.000655019 -0.00391074 0.00409097 31
9086 26 C 26.2586 31.9788 23.8383 -0.00533153 0.00382043 0.00232321 31
9087 27 C 26.9906 30.8598 23.3437 -0.00244262 0.00179814 0.000970873 31
9088 28 C 26.853 29.5971 23.9282 0.00091287 0.00079814 -0.000904736 31
9089 29 C 25.9677 29.434 25.0006 0.00120905 0.00232707 -0.00176226 31
9090 30 C 27.7483 30.9805 22.1214 -0.00209167 0.00189822 0.00294822 31
9091 31 C 28.2421 30.9904 21.0166 0.00299407 0.00315144 0.00127665 31
9092 32 C 27.2539 27.2879 19.0963 -0.00303737 -0.000986601 -0.00115602 31
9093 33 C 27.6856 27.111 17.7863 0.000351826 0.00100554 -0.00186741 31
9094 34 C 28.196 28.1696 17.0223 0.000955408 -0.00156506 0.00036313 31
9095 35 C 28.3212 29.4319 17.6524 0.000358716 0.00455812 0.00251566 31
9096 36 C 28.0696 29.5413 19.0261 -0.000706965 -0.00207228 -0.00201339 31
9097 37 C 27.4898 28.4797 19.7495 -0.0040827 0.00383281 0.00614177 31
9098 38 C 28.5238 30.8679 19.5863 0.0032772 0.00454263 -0.00030846 31
9099 39 C 32.4185 30.9594 19.4521 0.00120761 0.00148664 -0.00184055 31
9100 40 C 32.5508 31.1075 18.054 0.000233084 -0.000488743 0.000486426 31
9101 41 C 31.4626 31.1324 17.2101 -0.00267292 0.00337382 0.00355315 31
9102 42 C 30.1874 30.9469 17.764 -0.00443901 0.0023402 0.0032571 31
9103 43 C 30.0192 30.9446 19.1646 0.00424642 -0.00043459 -0.00689131 31
9104 44 C 31.1016 30.8581 20.0409 -0.00249639 0.00113829 -0.000429933 31
9105 45 C 26.4782 33.9809 18.4194 -0.00169587 2.09465e-05 0.00136107 31
9106 46 C 26.7115 33.9117 17.025 -0.000473335 -0.00351436 0.00577304 31
9107 47 C 27.4655 32.8494 16.5087 -0.0010492 -7.353e-05 0.00171846 31
9108 48 C 27.9991 31.88 17.3901 -0.00515628 -0.00233022 0.00287813 31
9109 49 C 28.8932 30.6949 16.9904 0.000223025 0.000328069 -1.78627e-05 31
9110 50 C 27.7852 31.962 18.7778 0.000845845 -0.00181977 -0.00210149 31
9111 51 C 27.0259 33.0264 19.2794 -0.00215182 -0.000492574 8.85759e-06 31
9112 52 O 31.5967 31.5519 15.8756 0.00375125 -0.00207927 -0.00322973 31
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9114 54 O 27.7104 32.793 15.1837 -2.32179e-05 -0.00194115 -0.00407796 31
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9116 56 C 24.1312 29.2422 31.3837 0.00219767 -0.00306308 -0.000753444 31
9117 57 C 31.4268 30.6802 14.7183 0.00159684 -0.000352388 0.00385024 31
9118 58 C 30.7094 31.5126 13.6752 0.00095585 0.00257092 -0.00645829 31
9119 59 C 30.6703 31.0814 12.191 3.60067e-05 -0.000283856 0.00198151 31
9120 60 C 30.0899 29.6857 11.8629 -0.000559863 0.00401202 -0.00271189 31
9121 61 C 29.6333 29.537 10.3698 -0.000472265 -0.00221717 -0.000257814 31
9122 62 C 30.4822 30.1252 9.22422 -0.00132322 -0.00095451 -0.00539766 31
9123 63 C 29.7643 29.819 7.89639 -0.00480817 -0.00246892 0.00644244 31
9124 64 C 30.5309 30.3465 6.68833 -0.00257533 -8.13448e-05 -0.000243601 31
9125 65 C 29.7161 30.1812 5.38466 -0.00594891 0.00205516 -0.000387735 31
9126 66 C 30.537 30.3457 4.10622 -0.0012047 0.000718112 0.00447469 31
9127 67 C 29.7381 30.2041 2.80817 -0.00108872 0.000979411 0.00306019 31
9128 68 C 30.6745 30.3524 1.62457 0.000731699 0.000509822 -0.000600246 31
9129 69 F 26.3131 33.199 23.2601 0.00219749 -0.000703362 0.00103824 31
9130 70 C 29.0051 26.6896 15.2088 -0.00199739 -0.000572224 0.00016746 31
9131 71 C 29.4577 26.7076 13.7464 0.00313523 -0.00181995 -0.00061775 31
9132 72 C 30.1998 25.425 13.4557 -0.00225224 -0.000583303 -0.00366038 31
9133 73 C 30.1584 24.9763 11.9911 -0.000698984 0.00345236 0.00512347 31
9134 74 C 30.2464 25.9846 10.8634 -0.00124172 0.00299927 0.00337435 31
9135 75 C 30.3042 25.239 9.49571 -0.000364937 -0.00199617 -0.00210177 31
9136 76 C 30.0564 26.1941 8.32268 -0.000987362 0.000673529 0.00236296 31
9137 77 C 30.3252 25.4913 6.96632 0.000497169 -2.50065e-05 -0.00343741 31
9138 78 C 30.1534 26.4006 5.70754 -0.00383068 -0.000890378 -0.00188876 31
9139 79 C 30.6157 25.6778 4.4261 -0.00202052 -0.00325976 0.00124941 31
9140 80 C 30.3456 26.5172 3.14578 0.0024646 -0.00363396 0.00141142 31
9141 81 C 30.9174 25.8358 1.89056 0.00518673 0.000584614 0.00162242 31
9142 82 C 26.6177 32.347 14.3644 0.000372852 -0.0061285 -0.000966752 31
9143 83 C 27.2218 32.0802 12.939 -0.00500897 0.00140922 -0.00207679 31
9144 84 C 26.4276 32.6745 11.7572 0.00361034 0.00250113 -0.000284937 31
9145 85 C 26.9667 32.2185 10.433 0.0013278 0.000694486 -0.00296828 31
9146 86 C 26.2887 32.9343 9.24658 -0.000651613 0.00445686 -0.00227046 31
9147 87 C 26.8002 32.3993 7.91178 -0.000820512 -0.000609957 0.00302164 31
9148 88 C 26.4606 33.4493 6.83101 0.00550218 0.000449322 -0.00127591 31
9149 89 C 26.7059 33.0268 5.37364 0.00496569 -0.00102757 -0.000600028 31
9150 90 C 25.7187 32.0095 4.86246 0.00151607 0.0011936 0.00336374 31
9151 91 C 25.68 31.9171 3.30114 0.000113686 0.00199996 0.00192954 31
9152 92 C 24.8097 33.0787 2.70361 0.0039583 0.00413947 -0.0001723 31
9153 93 C 25.012 33.2837 1.2103 -0.00338987 0.000371846 0.00556257 31
9154 94 C 19.0832 30.6662 33.4752 0.00295618 0.00185991 0.0038302 31
9155 95 C 18.9577 30.5356 35.0245 -0.00226867 -0.00353115 0.0011726 31
9156 96 C 17.5274 30.5185 35.6246 -0.00483382 0.00213828 -0.00305826 31
9157 97 C 17.5867 30.1976 37.1274 0.00697885 0.000926039 -0.00341262 31
9158 98 C 17.9415 31.2651 38.1923 0.00382883 -0.00431798 0.00169461 31
9159 99 C 18.0309 30.5114 39.5308 -0.00485306 0.00298812 -0.00259145 31
9160 100 C 18.1396 31.3655 40.8336 -0.00122053 -0.00103561 -0.00120226 31
9161 101 C 18.1689 30.3626 42.0213 -0.00130642 0.00116646 -0.00203538 31
9162 102 C 18.1961 30.9503 43.4459 -0.000802313 -0.00313112 0.00077791 31
9163 103 C 18.2645 29.7693 44.4692 -0.000171029 -0.000450654 -0.00317723 31
9164 104 C 18.3705 30.2766 45.9504 0.00292297 0.000638789 0.0003795 31
9165 105 C 17.0651 30.6581 46.65 0.000965496 0.00513844 0.00337185 31
9166 106 C 24.4101 34.231 33.7821 -0.00320892 -0.000985877 -0.00109823 31
9167 107 C 25.5946 34.5757 34.6852 -0.0029277 -0.00332868 -0.00513986 31
9168 108 C 25.2156 34.3333 36.15 -0.000770416 -0.00137961 -0.00017199 31
9169 109 C 26.0192 35.1207 37.1607 -0.00265881 -0.0006821 -0.00168997 31
9170 110 C 25.6704 34.7375 38.6273 -0.0014038 -0.00140091 0.00270984 31
9171 111 C 26.3676 35.695 39.6124 -0.00377244 4.38604e-05 -0.00253768 31
9172 112 C 25.9339 35.6 41.0891 0.00286206 0.00417615 -0.00255595 31
9173 113 C 26.5469 34.4387 41.8552 -0.00132931 -0.00448504 0.000109752 31
9174 114 C 26.0509 34.2799 43.2953 -0.00255773 0.000593087 0.00218373 31
9175 115 C 26.5107 35.4653 44.2658 0.000227385 -0.00040236 0.000392281 31
9176 116 C 26.2983 35.1663 45.7519 0.00258046 0.0038515 -0.00118683 31
9177 117 C 26.6001 36.3504 46.6546 0.0011963 0.000333103 0.00235058 31
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9179 119 C 25.0849 26.5492 35.1661 0.00334146 -0.000587456 0.00148658 31
9180 120 C 24.6063 26.5644 36.6399 0.00201782 -0.00211052 2.97561e-05 31
9181 121 C 25.5262 25.9361 37.7272 0.00626087 -0.000880507 -0.00119322 31
9182 122 C 24.8907 26.0388 39.1409 0.00127115 -0.00207186 5.67636e-05 31
9183 123 C 25.7944 25.6089 40.3221 0.00208306 8.28031e-05 -0.00019956 31
9184 124 C 25.1327 25.8662 41.7158 0.00412355 0.000485546 0.00171599 31
9185 125 C 26.0066 25.4071 42.8888 -0.00129383 -0.00163509 -0.00143928 31
9186 126 C 25.3553 25.7757 44.251 -0.00441351 -0.00426995 0.00278164 31
9187 127 C 26.2021 25.3883 45.4381 -0.00215514 -0.00359446 0.00345282 31
9188 128 C 25.5731 25.5987 46.8461 -0.000107553 0.00110678 -0.00602657 31
9189 129 C 25.5543 27.0339 47.3334 0.00131921 0.00705676 -0.00140185 31
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9209 149 H 26.2925 34.6065 16.3031 0.00326837 -0.00890428 -0.00162798 31
9210 150 H 29.0149 30.559 15.9087 0.000757646 0.0188722 -0.00227488 31
9211 151 H 26.8881 33.1086 20.3535 0.00110778 -0.00258849 0.000593684 31
9212 152 H 23.1991 30.6539 32.918 0.0058681 -0.00330271 0.00326881 31
9213 153 H 32.4459 30.3865 14.4378 -0.00648037 -0.0101248 -0.0151386 31
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9216 156 H 29.6642 31.5843 14.0006 0.00628048 -0.00995652 0.0133413 31
9217 157 H 31.6735 31.048 11.7484 0.00153949 -0.0109522 0.00615619 31
9218 158 H 30.0814 31.8461 11.6695 -0.00904508 -0.00242059 0.00908033 31
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9230 170 H 29.3532 29.1484 5.45597 -0.00392269 0.00114559 -0.00329287 31
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9232 172 H 31.0458 31.3176 4.11349 0.0188315 -0.00972345 -0.000264609 31
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9236 176 H 30.2079 30.0633 0.674782 -0.00712962 -0.00133549 0.00383497 31
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9241 181 H 30.1258 27.5559 13.5529 -0.0059084 0.00364744 -0.00795015 31
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9243 183 H 29.8358 24.5739 14.0445 0.00385512 0.00281862 0.00502737 31
9244 184 H 30.9857 24.2722 11.8387 -0.00445325 -0.000304951 0.00212369 31
9245 185 H 29.2022 24.4667 11.8193 0.00160409 -0.00205201 0.00867151 31
9246 186 H 29.3191 26.5699 10.8945 -0.00055435 0.0039318 0.00628691 31
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9248 188 H 31.2507 24.687 9.44168 0.000844196 -0.00308903 0.0292871 31
9249 189 H 29.5447 24.4564 9.37701 0.0046302 -0.00629227 -0.00584871 31
9250 190 H 29.0112 26.5265 8.34694 0.000184005 0.00304274 0.0201665 31
9251 191 H 30.7022 27.0638 8.49546 0.00705262 -0.00534102 0.00257207 31
9252 192 H 31.3422 25.0803 6.97897 -0.00211183 -0.00630416 0.00214628 31
9253 193 H 29.6353 24.6462 6.85109 -0.0104298 0.00955596 -0.00837485 31
9254 194 H 29.084 26.6328 5.62959 -0.00804837 -0.0150537 0.0133919 31
9255 195 H 30.6776 27.3578 5.81902 -0.00293033 -0.000648172 -0.00818457 31
9256 196 H 31.6743 25.4307 4.57321 0.00200302 0.0103026 -0.00502433 31
9257 197 H 30.047 24.7412 4.37434 -0.00214935 -0.00303031 -0.00143414 31
9258 198 H 29.2836 26.7532 3.00446 0.0024232 0.00345023 0.0135179 31
9259 199 H 30.8824 27.4686 3.24646 -0.00732641 0.00189058 0.00131479 31
9260 200 H 31.9235 25.4312 2.05651 0.00717226 0.00405074 -0.00199857 31
9261 201 H 30.2858 24.9773 1.63077 0.00585605 0.00189997 -0.00435641 31
9262 202 H 30.8965 26.4975 1.01583 -0.0186435 -0.00940644 -0.00541766 31
9263 203 H 26.1817 31.421 14.7594 -0.00387113 -0.00460897 -0.00209248 31
9264 204 H 25.8648 33.1437 14.3228 4.84203e-06 -0.00675536 -0.00633273 31
9265 205 H 28.1969 32.5693 12.8231 -0.00862058 0.00914712 0.000208734 31
9266 206 H 27.414 31.0006 12.9066 0.0147037 0.00472676 0.0032745 31
9267 207 H 25.3447 32.5094 11.8165 0.00404036 0.00233072 0.0070317 31
9268 208 H 26.5455 33.7651 11.7688 0.0078587 0.00236404 -0.0283876 31
9269 209 H 28.0437 32.4057 10.3414 0.0012667 0.000652957 -0.00378797 31
9270 210 H 26.7744 31.1404 10.3689 0.00991971 -0.00158061 0.00961009 31
9271 211 H 25.2216 32.6854 9.29919 0.00376421 -0.0109586 0.014987 31
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9273 213 H 27.8945 32.3348 7.9551 0.00018593 0.0136802 -0.000782556 31
9274 214 H 26.4181 31.398 7.67772 0.0115014 -0.00634687 0.00738674 31
9275 215 H 25.4079 33.7375 6.94179 0.00645232 0.0050799 -0.00426348 31
9276 216 H 27.0012 34.3549 7.13256 -0.00243275 0.00655638 -0.00541263 31
9277 217 H 26.6618 33.9263 4.74717 0.00171022 0.00349065 0.00613281 31
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9279 219 H 25.9632 31.0161 5.25848 -0.008287 -0.00310983 -0.00134306 31
9280 220 H 24.7342 32.2531 5.28062 0.00229833 0.00592241 0.00243824 31
9281 221 H 26.6821 31.9737 2.85853 0.00470679 0.00319184 0.0125091 31
9282 222 H 25.2944 30.9321 3.0104 0.0143951 0.00121666 -0.0143786 31
9283 223 H 23.7687 32.8006 2.90932 0.0037935 0.000319527 -0.00613075 31
9284 224 H 25.0924 34.0271 3.17682 0.0133246 0.0026657 -0.00277765 31
9285 225 H 24.3577 34.09 0.856475 -0.00951622 -0.00845764 -0.00322589 31
9286 226 H 26.049 33.6058 1.05462 -0.00341721 -0.00677074 -0.0092221 31
9287 227 H 24.78 32.3815 0.630988 0.00668012 -0.0104838 0.0184685 31
9288 228 H 18.746 31.6551 33.1411 0.00248823 -0.0023695 -0.00824042 31
9289 229 H 18.422 29.9312 32.9997 -0.00152001 0.00214638 0.00963675 31
9290 230 H 19.3831 29.5651 35.3081 0.00805727 -0.00314846 -0.0130084 31
9291 231 H 19.4839 31.366 35.5113 0.00973107 -0.0134706 0.0050906 31
9292 232 H 16.9292 31.4019 35.3696 0.0101131 0.0131774 6.33733e-05 31
9293 233 H 16.9707 29.6858 35.1773 -0.00692612 0.00376748 -0.00348441 31
9294 234 H 16.6398 29.7203 37.4085 0.0168682 -0.0170073 -0.000487206 31
9295 235 H 18.3466 29.424 37.2938 0.0044412 -0.00191768 -0.00508651 31
9296 236 H 18.8392 31.8342 37.9209 -0.00425768 0.00905227 0.00292462 31
9297 237 H 17.1126 31.9733 38.314 0.00910408 0.00443214 -0.0135411 31
9298 238 H 17.1244 29.8941 39.5549 0.000968566 -0.00522411 0.00537904 31
9299 239 H 18.8437 29.7779 39.4621 -0.00787762 -0.000539456 -0.000751564 31
9300 240 H 19.0426 31.9884 40.8446 -0.00144337 -0.000763352 0.00173328 31
9301 241 H 17.2869 32.0513 40.9104 -0.00519926 -0.00748508 0.0121176 31
9302 242 H 17.2607 29.7648 41.8756 -0.0022581 0.000917311 0.0050277 31
9303 243 H 19.0701 29.7469 41.9108 0.000937853 0.00492544 -0.00475148 31
9304 244 H 19.0932 31.5629 43.5986 0.0042058 -0.00852155 -0.00702498 31
9305 245 H 17.3007 31.5695 43.5814 -0.00036066 -0.00455721 0.010136 31
9306 246 H 17.3657 29.152 44.3484 -0.00399349 0.00410302 0.00199571 31
9307 247 H 19.0868 29.0912 44.2096 0.00374216 0.00726952 -0.0109159 31
9308 248 H 18.8395 29.5074 46.5763 0.00267768 0.00121894 0.00127722 31
9309 249 H 19.0564 31.1324 45.9751 0.0139618 -0.008343 0.00491968 31
9310 250 H 16.4856 31.3777 46.0586 -0.00337813 0.00556619 0.00814932 31
9311 251 H 16.4775 29.7417 46.7857 0.00106442 0.00546283 0.00596992 31
9312 252 H 17.2829 31.121 47.6204 0.00688671 0.00057913 0.00421663 31
9313 253 H 24.3711 34.9446 32.9498 -0.00256854 0.0123947 0.0103406 31
9314 254 H 23.4619 34.404 34.3059 0.00608881 0.00927856 0.0123685 31
9315 255 H 26.4047 33.9166 34.3494 -0.0104324 -0.0162323 0.00203634 31
9316 256 H 25.8693 35.6268 34.5329 -0.00892647 -0.000720955 0.00199411 31
9317 257 H 24.1777 34.6592 36.2916 -0.00532047 -0.0164049 0.00110177 31
9318 258 H 25.2078 33.2593 36.373 0.0036513 0.0013103 0.0129332 31
9319 259 H 27.0973 34.9926 37.0036 -0.00370072 -0.00190069 -0.0078433 31
9320 260 H 25.7786 36.1836 37.0349 -0.00538714 -0.000646622 0.00376624 31
9321 261 H 24.5832 34.7649 38.7707 -0.00244196 -0.00990338 -0.00346077 31
9322 262 H 25.9628 33.7097 38.8752 0.0124933 0.000126577 -0.00743558 31
9323 263 H 27.4537 35.5738 39.5164 -0.00512991 -0.0108319 -0.00407846 31
9324 264 H 26.1865 36.731 39.3005 -0.00657566 -0.0032818 -0.0119237 31
9325 265 H 26.1734 36.5698 41.5424 0.00630854 0.00160455 0.00110514 31
9326 266 H 24.8452 35.4752 41.138 0.00420508 -0.00261174 0.0101993 31
9327 267 H 26.2811 33.5289 41.3029 -0.0211152 -0.00379789 0.00846187 31
9328 268 H 27.6395 34.5158 41.9156 -0.0017682 -0.00423416 0.00784189 31
9329 269 H 24.9558 34.2493 43.3534 -0.00323639 0.00481143 -0.00862943 31
9330 270 H 26.4157 33.3081 43.6502 -0.00491262 0.00160819 0.00737669 31
9331 271 H 27.5523 35.7612 44.09 0.00169107 0.000987923 0.011399 31
9332 272 H 25.9224 36.3771 44.1054 0.0138157 0.00717476 -0.00632617 31
9333 273 H 25.2578 34.8616 45.9187 0.00415732 -0.00309917 -0.00403199 31
9334 274 H 26.905 34.2948 46.0273 0.0120006 0.0108131 4.60688e-05 31
9335 275 H 26.569 36.0427 47.7071 -0.00124583 -0.0154157 -0.00232045 31
9336 276 H 27.5843 36.7796 46.4295 0.00185189 0.00165614 0.00774983 31
9337 277 H 25.8546 37.1437 46.5193 0.00386459 0.000505048 -0.0113269 31
9338 278 H 23.104 27.0895 34.6829 0.00775454 0.00221406 0.0135631 31
9339 279 H 23.8041 26.2068 33.3605 -0.00850743 -0.00014759 -0.00116226 31
9340 280 H 25.94 27.2107 34.9804 0.0130871 -0.0111105 0.00893346 31
9341 281 H 25.4292 25.5385 34.9145 -0.00926387 -0.00222818 -0.00920531 31
9342 282 H 23.6071 26.1155 36.6999 -0.0005704 0.00378316 0.0013167 31
9343 283 H 24.3818 27.5818 36.9831 0.0150888 -0.00296488 0.0110939 31
9344 284 H 26.4554 26.5153 37.7939 0.00455194 0.00245613 -0.0063676 31
9345 285 H 25.7737 24.8933 37.4931 -0.00548022 -0.00555019 0.00718159 31
9346 286 H 23.9448 25.4856 39.1923 0.0024926 -0.00511443 -0.0103569 31
9347 287 H 24.6559 27.0943 39.3262 0.00362438 6.55684e-05 -0.00918039 31
9348 288 H 26.7545 26.1391 40.3421 0.00122533 0.00152044 0.00322447 31
9349 289 H 26.0345 24.54 40.2654 0.00883893 0.00119522 0.00720411 31
9350 290 H 24.227 25.2511 41.7849 -2.43579e-05 0.00749574 0.00967819 31
9351 291 H 24.8161 26.9095 41.8371 -0.0022381 -0.00135891 0.00103325 31
9352 292 H 26.9553 25.9554 42.838 -0.00476996 0.00431205 -0.00240654 31
9353 293 H 26.1847 24.3277 42.8074 -0.0145891 -0.00408119 0.00159424 31
9354 294 H 24.3659 25.3219 44.3873 0.00106218 -0.0185129 -0.00490134 31
9355 295 H 25.2731 26.8688 44.209 0.001544 -0.00401346 -0.0028623 31
9356 296 H 27.1564 25.9293 45.4284 0.00245752 -0.0120037 -0.0093002 31
9357 297 H 26.391 24.3126 45.3358 -0.00180797 -0.00402629 0.00865657 31
9358 298 H 26.1308 25.0423 47.6094 -0.0152436 -0.00903119 -0.00238324 31
9359 299 H 24.5275 25.269 46.8082 -0.00110075 0.00358874 -0.000100563 31
9360 300 H 26.5799 27.4011 47.4623 0.00227518 0.00296741 0.00266006 31
9361 301 H 25.0112 27.0616 48.2861 0.00260812 -0.00142514 -0.000423385 31
9362 302 H 24.9856 27.6695 46.6434 0.00173506 -0.00133282 -0.00947226 31
9363 1 C 29.4734 40.5246 31.3444 -0.000758566 0.000616504 -0.00120974 32
9364 2 C 29.6171 40.4512 29.9652 -0.00251965 -0.000766096 -0.00139716 32
9365 3 C 28.9747 39.4281 29.2827 0.00185162 0.00223612 -0.00185945 32
9366 4 C 28.2608 38.4701 30.0035 0.001316 0.00333948 0.000279948 32
9367 5 C 28.1625 38.4953 31.4238 -0.00293972 -0.00041038 -0.00603893 32
9368 6 C 28.7618 39.5868 32.1105 -0.00200418 0.00135364 0.00186827 32
9369 7 C 23.6201 37.1778 31.0178 0.000637446 -0.000586523 -0.00210376 32
9370 8 C 23.7515 37.1338 29.646 -0.00345351 0.000724252 0.00273437 32
9371 9 C 25.0192 37.175 29.0309 0.00396935 -0.00109701 -0.000249074 32
9372 10 C 26.1606 37.2341 29.8889 -0.00539492 -0.00329628 0.00340198 32
9373 11 C 26.009 37.2373 31.2797 0.00237955 -0.00195409 0.00190533 32
9374 12 C 24.7264 37.2416 31.8922 0.000203738 0.00379683 0.00258524 32
9375 13 C 29.2799 33.9169 31.4503 -0.000113924 -0.00185415 0.00224662 32
9376 14 C 29.3887 33.9474 30.0655 -0.000631079 0.00208389 3.50657e-05 32
9377 15 C 28.8896 35.0233 29.3526 0.00073049 -0.000568194 0.00329823 32
9378 16 C 28.2333 36.0633 30.0455 -0.00117298 0.00146002 0.00130468 32
9379 17 C 27.6011 37.2574 29.3499 0.00629851 0.00167154 0.00105356 32
9380 18 O 28.5631 34.8357 33.5382 0.00229536 -0.00231071 0.000259747 32
9381 19 O 24.5539 37.3488 33.2795 -0.00285437 -0.00335799 -0.000163808 32
9382 20 O 28.7296 39.7213 33.5194 -0.00228047 0.00261691 0.00076622 32
9383 21 C 28.6654 34.9358 32.1544 0.00560436 -0.00438263 -0.000824491 32
9384 22 C 27.7918 37.2352 27.8915 0.000218921 0.00417452 -0.00142236 32
9385 23 C 28.2553 37.2069 26.753 0.00170499 -0.000547898 0.00464977 32
9386 24 C 29.0047 37.261 25.5065 -0.0011847 -0.00232752 -0.000599042 32
9387 25 C 29.3797 38.5243 24.9558 0.00382014 0.00317754 -0.00195342 32
9388 26 C 30.2675 38.6088 23.8699 -0.00149038 0.00020905 0.0013969 32
9389 27 C 30.7588 37.4234 23.2948 0.00131572 0.00279704 -0.00300003 32
9390 28 C 30.4513 36.1934 23.8777 -0.00352006 0.00488902 -0.00205646 32
9391 29 C 29.4992 36.0778 24.9306 0.000705591 0.00348525 -0.00443662 32
9392 30 C 31.5319 37.4675 22.099 -0.00380819 -0.00131387 -0.00343116 32
9393 31 C 32.0554 37.446 21.0187 0.000410518 0.0010259 0.00159378 32
9394 32 C 30.5127 34.3968 18.2833 -0.00151509 -0.00302404 -0.00217763 32
9395 33 C 30.7845 34.5291 16.9116 -0.00137778 -0.00263528 -0.00191015 32
9396 34 C 31.5023 35.6175 16.4313 -0.0019273 -0.00134219 -0.00154227 32
9397 35 C 32.018 36.5337 17.3535 0.00290649 0.00234312 0.000112839 32
9398 36 C 31.8031 36.4109 18.742 -0.0015778 0.000794079 -0.000126938 32
9399 37 C 31.0397 35.3186 19.2043 0.00357706 -0.00176031 0.000316404 32
9400 38 C 32.4609 37.522 19.6112 -0.000216851 -0.00619505 0.00230987 32
9401 39 C 36.3389 37.4288 19.5153 0.00141414 -7.85092e-06 0.00288204 32
9402 40 C 36.5175 37.6192 18.1149 -0.000635363 -0.00183174 0.00236651 32
9403 41 C 35.4386 37.5841 17.2406 -0.000386539 0.00140222 -0.000187682 32
9404 42 C 34.1627 37.5489 17.8057 -0.000354787 0.00064254 0.00130143 32
9405 43 C 33.9582 37.4329 19.2186 0.00170083 -0.00463316 0.00338922 32
9406 44 C 35.0536 37.3701 20.1122 -0.000864698 -0.000620399 0.00187364 32
9407 45 C 30.9948 41.0635 18.953 0.00143119 0.00113969 7.90166e-05 32
9408 46 C 31.0313 41.0321 17.5533 -0.00042456 -0.000117945 0.00183405 32
9409 47 C 31.6614 39.9843 16.8998 0.0008369 -0.00119359 0.00506753 32
9410 48 C 32.1965 38.9063 17.5974 -0.00104259 0.000441935 0.000811753 32
9411 49 C 32.891 37.696 16.9732 -0.000795264 -0.00239006 -0.00102193 32
9412 50 C 32.0023 38.8266 18.9922 0.00330107 -0.00150881 0.00130005 32
9413 51 C 31.4315 39.9342 19.6627 -0.0030158 0.000105244 -0.00127808 32
9414 52 O 35.6615 37.5498 15.8835 -0.000749312 -0.000439315 0.0020655 32
9415 53 O 31.5897 35.9376 15.076 0.000683096 0.00126174 0.00154582 32
9416 54 O 31.5478 39.971 15.5562 -0.00114197 0.000560815 -0.00377091 32
9417 55 C 27.3775 37.2875 32.0166 -0.000278837 -0.00462551 0.00253788 32
9418 56 C 28.1011 36.0411 31.4517 0.0039457 -0.000462731 0.00237099 32
9419 57 C 35.6838 36.2743 15.2308 -0.0014097 -0.00297716 0.00306055 32
9420 58 C 36.2981 36.3807 13.7998 -0.00386309 0.00525692 0.000294559 32
9421 59 C 35.3234 36.8652 12.7175 0.00435412 -0.00151542 0.00170905 32
9422 60 C 35.8015 36.3867 11.3377 -0.00233779 -0.00234554 -0.000959688 32
9423 61 C 34.8182 36.819 10.2524 0.00121519 0.00103936 0.00126808 32
9424 62 C 35.2821 36.3802 8.81172 -0.00125791 0.00328411 -0.000408225 32
9425 63 C 34.2308 36.746 7.74335 0.000721875 -0.000546039 0.00162707 32
9426 64 C 34.7034 36.6006 6.25848 0.00562835 0.00470641 0.000310902 32
9427 65 C 33.475 36.6546 5.31431 0.00057676 -0.00263399 0.00131553 32
9428 66 C 33.6756 37.204 3.85916 -0.00313501 0.000206097 0.00431908 32
9429 67 C 34.2059 36.2303 2.78611 0.000499638 0.00401095 -0.00339685 32
9430 68 C 34.2862 36.9118 1.38212 0.00289571 0.000118795 -0.00320907 32
9431 69 F 30.5356 39.8324 23.3151 -0.000488738 -0.00241889 0.00158188 32
9432 70 C 31.2617 35.0846 13.9917 0.00206521 0.00246952 -0.00554299 32
9433 71 C 31.2763 35.9655 12.7526 -0.000351299 -0.00258564 0.00262106 32
9434 72 C 31.2368 35.2209 11.3943 0.000123689 0.000848979 0.00200923 32
9435 73 C 29.8284 35.0192 10.7898 -3.47342e-05 0.00166267 0.00451794 32
9436 74 C 29.8102 34.665 9.30479 0.000532467 -0.00260386 -0.00280561 32
9437 75 C 30.1438 35.838 8.40197 -0.00190778 -0.00109633 -0.000188124 32
9438 76 C 30.5927 35.4343 6.95804 -0.000159873 0.00615789 -0.000659462 32
9439 77 C 29.6634 34.4738 6.22503 -0.00299426 0.0034546 0.0032012 32
9440 78 C 30.4031 33.798 5.02844 -0.00075222 -0.00242316 0.00391428 32
9441 79 C 30.6601 34.7731 3.8643 0.00517752 -0.000912666 0.000227068 32
9442 80 C 29.4534 35.136 3.03407 0.00257398 0.000540464 3.6857e-05 32
9443 81 C 28.8875 33.9223 2.26954 8.01801e-06 -0.00238552 0.00163298 32
9444 82 C 32.4667 40.6282 14.6791 -0.00188782 -0.000894568 -0.000928184 32
9445 83 C 33.0449 39.6064 13.6889 -0.00352587 0.000275024 0.00320715 32
9446 84 C 33.2948 40.1884 12.2982 -0.000290643 -0.00251385 -0.00346512 32
9447 85 C 34.2462 41.3601 12.2143 -0.00114875 -0.00133307 0.00211144 32
9448 86 C 34.2334 42.0015 10.8209 -8.24286e-05 0.000415658 0.00459674 32
9449 87 C 34.4774 41.035 9.63795 0.00306886 -0.000209814 -0.00441259 32
9450 88 C 34.2816 41.7895 8.29379 -0.00141065 -0.00385458 -0.000924607 32
9451 89 C 34.4225 40.8377 7.09336 0.00429377 -0.00140052 0.00189463 32
9452 90 C 34.2004 41.5749 5.75255 -0.00292231 -0.000507757 -0.000917363 32
9453 91 C 34.1472 40.6731 4.52874 -0.000628862 0.00207284 0.00201923 32
9454 92 C 34.1005 41.4976 3.22059 -0.0027362 0.00177463 -0.000926687 32
9455 93 C 33.6995 40.6119 2.04334 0.00223023 -0.00137647 0.000822546 32
9456 94 C 23.2178 37.4261 33.8302 0.000971161 0.00189404 -0.000484472 32
9457 95 C 23.2211 37.4348 35.3834 8.88331e-05 -0.000262261 -0.00388081 32
9458 96 C 21.8858 37.0941 36.1401 0.00284386 0.0036497 0.0036437 32
9459 97 C 22.2073 36.784 37.6347 0.00164584 0.00392059 0.00131662 32
9460 98 C 22.1572 38.0145 38.5569 0.00176949 -0.00241325 -0.00151417 32
9461 99 C 22.838 37.8414 39.9611 0.00428038 -0.00064225 0.00124793 32
9462 100 C 21.8998 37.3886 41.0758 0.00239167 0.0024703 -0.0062599 32
9463 101 C 22.5873 37.4023 42.4377 -0.00366904 -0.00114158 0.00361305 32
9464 102 C 21.7287 36.9481 43.6233 0.00251843 0.00427554 -0.000937597 32
9465 103 C 22.5876 36.9165 44.9256 -0.00204551 -0.0021665 0.000268541 32
9466 104 C 21.7755 36.7393 46.2144 0.000500287 -0.00193618 -0.000645672 32
9467 105 C 22.7389 36.4279 47.369 -3.69665e-05 0.00353396 0.00460356 32
9468 106 C 29.2385 40.9826 34.0536 0.00165379 -0.00246327 -0.000785394 32
9469 107 C 28.9959 41.1014 35.5965 -0.00297626 -0.00155311 0.00311701 32
9470 108 C 29.5121 42.41 36.1952 0.0018217 0.0054877 0.00011423 32
9471 109 C 29.1615 42.6711 37.6962 -0.00265587 -0.00488703 -0.00558676 32
9472 110 C 30.0247 41.7649 38.6294 -0.00232794 -0.00393844 -0.000403727 32
9473 111 C 29.5306 41.7587 40.0928 0.000810141 0.00309631 0.00115313 32
9474 112 C 29.4709 43.0983 40.8197 -0.000642106 -0.00432533 -7.28453e-06 32
9475 113 C 29.1961 42.935 42.3543 -0.00118484 0.00447857 0.00449743 32
9476 114 C 30.3385 42.1258 43.0763 0.00467436 0.00195313 0.00241519 32
9477 115 C 30.3677 42.3521 44.6135 -0.00128335 0.00363151 0.00162882 32
9478 116 C 29.1395 41.7596 45.3497 -0.00352611 0.00160071 -0.00176293 32
9479 117 C 29.2392 41.999 46.8711 0.000593485 0.00160468 -0.00176664 32
9480 118 C 29.2248 33.7235 34.1958 -0.00372459 0.00260509 0.0013621 32
9481 119 C 28.9086 33.5532 35.6842 0.00131863 -0.00171552 -0.00323138 32
9482 120 C 29.7148 32.3915 36.3615 -0.00220881 0.00173974 0.0041525 32
9483 121 C 29.4092 32.1072 37.8582 0.000946057 0.00588073 -0.00550896 32
9484 122 C 29.4615 33.3536 38.7232 0.00263499 0.00221223 -0.00150669 32
9485 123 C 29.2767 33.1768 40.2199 0.00249921 -0.00200911 0.00176155 32
9486 124 C 30.4682 32.5159 40.9539 0.00420883 0.000204905 -0.00371012 32
9487 125 C 30.5144 32.966 42.4435 -0.000484585 0.00019284 -0.000392779 32
9488 126 C 29.393 32.3616 43.3393 8.36694e-06 -0.00159786 0.00435221 32
9489 127 C 29.2998 33.033 44.7199 0.000220179 0.000972754 0.00628245 32
9490 128 C 30.6401 33.1719 45.4911 -0.00131954 0.000831315 -0.000653606 32
9491 129 C 30.345 33.598 46.9367 -0.00100314 -0.000361637 -0.000909542 32
9492 130 F 28.8568 39.6698 25.4891 -0.00377483 -0.00206817 0.000358209 32
9493 131 H 30.0487 41.3219 31.8056 -0.00172064 -0.000468812 0.00186167 32
9494 132 H 30.2075 41.1201 29.346 0.00248176 -0.00606993 -0.00237663 32
9495 133 H 29.0461 39.4199 28.1991 0.0071499 -0.00663882 -0.00143521 32
9496 134 H 22.6414 37.2098 31.4875 0.000323014 0.00342196 -0.00303223 32
9497 135 H 22.8652 37.0375 29.0259 0.00147059 0.0103105 -0.00577741 32
9498 136 H 25.1399 37.253 27.9544 0.021516 0.000172393 0.0017818 32
9499 137 H 29.7771 33.0943 31.9559 -0.0039763 -0.00398986 0.0025625 32
9500 138 H 29.9212 33.1837 29.5064 0.00920801 0.00885458 0.000140004 32
9501 139 H 29.0452 35.0203 28.2778 0.00498181 0.00149685 0.00390599 32
9502 140 H 30.865 35.262 23.5024 0.00769715 0.0135333 -0.0110387 32
9503 141 H 29.2533 35.1068 25.3501 0.00914067 0.00159342 -0.00386472 32
9504 142 H 29.9223 33.5651 18.6562 -0.0104178 0.00760752 0.0074281 32
9505 143 H 30.3585 33.8233 16.2048 -0.00402712 0.00127352 -0.00421988 32
9506 144 H 30.8416 35.2529 20.27 0.0168353 0.00332226 0.00311724 32
9507 145 H 37.2434 37.3172 20.1059 -0.00137149 0.00104506 0.00732841 32
9508 146 H 37.5032 37.6932 17.6653 -3.06628e-05 0.00307733 0.00450632 32
9509 147 H 34.9886 37.3459 21.196 0.0167839 -0.0158967 0.00261905 32
9510 148 H 30.4991 41.9088 19.4211 -0.00510018 0.000790413 -0.00616475 32
9511 149 H 30.5878 41.8348 16.9717 0.00442681 0.00247437 0.00171379 32
9512 150 H 33.0758 37.7991 15.8968 0.00178259 -0.00667115 -0.000988426 32
9513 151 H 31.2679 39.9286 20.7363 -0.00866592 -0.00369976 -0.00215564 32
9514 152 H 27.2969 37.2927 33.1107 -0.0159584 -0.00219113 0.00137019 32
9515 153 H 36.3279 35.5907 15.7977 0.00265277 -0.00133296 0.00043346 32
9516 154 H 34.6891 35.8199 15.145 0.00154581 -0.00906496 0.000939566 32
9517 155 H 36.6337 35.3674 13.5468 -0.0144531 -0.00030465 0.00854681 32
9518 156 H 37.2052 36.9897 13.7018 -0.00484763 0.0106425 0.0255042 32
9519 157 H 35.2747 37.9596 12.7743 0.00942298 -0.000837134 -0.00717798 32
9520 158 H 34.3057 36.4904 12.8824 0.00170886 0.00355163 -0.00305106 32
9521 159 H 35.8644 35.2926 11.2889 -5.10739e-05 -0.0022975 0.000978273 32
9522 160 H 36.817 36.7443 11.1274 -0.00261726 0.00456801 0.00949382 32
9523 161 H 34.7009 37.9097 10.2608 0.00844578 0.00190319 -0.00985363 32
9524 162 H 33.8245 36.4287 10.5046 0.00108124 0.00144618 0.00137167 32
9525 163 H 35.4488 35.2965 8.84684 0.00460731 0.00449474 0.00968068 32
9526 164 H 36.2565 36.8435 8.61351 -0.00849631 0.0141533 -0.0105163 32
9527 165 H 33.9742 37.7918 7.95253 -0.00298713 -0.00403542 0.0145835 32
9528 166 H 33.3249 36.1371 7.8525 0.00577556 -0.00793012 0.00238731 32
9529 167 H 35.285 35.6792 6.13112 -0.00681145 -0.00321909 0.000989718 32
9530 168 H 35.3775 37.4293 6.00907 0.0110289 0.00387938 0.012167 32
9531 169 H 32.7442 37.3163 5.79537 -0.00251253 -0.0126763 0.0104275 32
9532 170 H 33.0151 35.6604 5.25497 0.00124104 -0.00231103 -0.00938761 32
9533 171 H 34.3145 38.0956 3.84596 0.00361329 -0.0046449 0.00413676 32
9534 172 H 32.7215 37.6114 3.50248 -0.00523328 -0.00198565 0.00744048 32
9535 173 H 33.5372 35.3662 2.68877 0.00486471 0.00108991 -0.00749353 32
9536 174 H 35.1999 35.8663 3.07417 -0.00288877 0.00532726 0.00995868 32
9537 175 H 35.044 37.7041 1.34622 -0.00136654 0.00398324 -0.0079285 32
9538 176 H 33.3271 37.3362 1.06034 0.00198401 0.002427 0.00256898 32
9539 177 H 34.5752 36.1725 0.625011 0.00741966 -0.00101354 -0.000377868 32
9540 178 H 31.9892 34.2731 13.8664 -0.00294383 -0.00295865 0.000450378 32
9541 179 H 30.2582 34.6523 14.0894 0.0012624 0.00348893 -0.0092455 32
9542 180 H 30.459 36.6941 12.8201 -0.00280153 -0.00379241 -0.014101 32
9543 181 H 32.2111 36.5387 12.784 0.0026804 -0.00731308 -0.00124168 32
9544 182 H 31.8128 35.8472 10.702 0.00883296 -0.019178 -0.00886999 32
9545 183 H 31.7634 34.2585 11.3916 -0.00154009 -6.15754e-05 0.00200786 32
9546 184 H 29.2926 34.247 11.3557 -0.0187666 0.00571452 -0.00767593 32
9547 185 H 29.2541 35.9472 10.9009 -0.00273636 0.00126661 -0.00610541 32
9548 186 H 30.5679 33.8928 9.12314 0.00180511 -0.00743811 0.0231731 32
9549 187 H 28.854 34.2036 9.02865 0.00290086 -0.00412541 -0.00848206 32
9550 188 H 29.2506 36.4629 8.2795 -0.00341199 -0.00283848 0.0018996 32
9551 189 H 30.9977 36.3761 8.83185 -0.00927847 -0.0014757 0.0148905 32
9552 190 H 30.6671 36.3727 6.3949 0.000978114 -0.00291721 -0.0155935 32
9553 191 H 31.6126 35.0332 7.00678 -0.00266275 -0.00181243 -0.0141887 32
9554 192 H 29.368 33.6528 6.88994 0.00389397 0.00114358 0.00342138 32
9555 193 H 28.7865 35.008 5.83913 -0.00483699 0.00214566 0.00559202 32
9556 194 H 31.399 33.4789 5.35957 0.00353146 0.0103189 0.00342113 32
9557 195 H 29.8307 32.9308 4.67674 0.00524117 0.000991421 -0.0142578 32
9558 196 H 31.1334 35.6824 4.25482 -0.0163714 0.0131414 -0.00650204 32
9559 197 H 31.4137 34.3513 3.18794 0.00217547 0.00378002 -0.00604763 32
9560 198 H 28.6657 35.558 3.67031 0.00937141 0.0195167 -0.00414659 32
9561 199 H 29.7082 35.8929 2.28201 0.0039275 0.00496199 0.00495673 32
9562 200 H 28.1739 34.2121 1.48849 0.00555086 0.00132866 -0.00205435 32
9563 201 H 29.6994 33.399 1.74935 -0.00655095 -0.00667651 -0.00428907 32
9564 202 H 28.3831 33.2268 2.9517 -0.00703259 0.0097298 0.00878017 32
9565 203 H 31.9635 41.359 14.034 0.00249296 -0.00246655 -0.00614823 32
9566 204 H 33.2051 41.2213 15.2326 -0.000452852 0.00196594 -0.00590367 32
9567 205 H 33.9968 39.2223 14.0758 0.000672959 0.00123084 -0.00614321 32
9568 206 H 32.3934 38.7295 13.5896 0.00555672 -0.00637401 0.00223048 32
9569 207 H 33.684 39.3573 11.6971 0.00565471 -0.0117553 0.0131228 32
9570 208 H 32.3309 40.5048 11.8808 -0.00491733 0.00540955 0.013204 32
9571 209 H 33.9981 42.1449 12.9395 -0.00196875 0.00365024 -0.00355296 32
9572 210 H 35.2921 41.103 12.4227 -0.00322645 -0.00192817 0.0117688 32
9573 211 H 33.2821 42.5351 10.7034 0.00245951 0.00435887 0.00191192 32
9574 212 H 35.0114 42.7696 10.7315 0.00303607 -0.00116037 0.0185938 32
9575 213 H 35.4864 40.6071 9.68497 0.00570766 0.00796948 0.0133013 32
9576 214 H 33.7586 40.2066 9.61856 0.0111344 -0.00697645 -0.0149466 32
9577 215 H 33.2689 42.2106 8.31279 -0.00355763 -0.00900171 -0.00101047 32
9578 216 H 34.9922 42.6143 8.15912 -0.0123826 0.00322618 -0.0156754 32
9579 217 H 35.389 40.3192 7.07515 0.00829891 0.00598202 0.00500604 32
9580 218 H 33.6737 40.0379 7.14855 -0.00363834 0.00499562 -0.0125951 32
9581 219 H 33.3086 42.2133 5.77476 -0.00358026 -0.00152315 0.00174116 32
9582 220 H 35.0483 42.2558 5.60769 -0.00866606 0.00841411 0.00746095 32
9583 221 H 35.0139 40.0007 4.51845 -0.00102939 0.00144852 0.00919499 32
9584 222 H 33.2638 40.0268 4.60205 -0.00476032 0.00749359 -2.68236e-05 32
9585 223 H 33.3422 42.2883 3.27725 0.0045483 0.00872191 -0.000481753 32
9586 224 H 35.0772 41.9741 3.07121 0.000274138 -0.00414125 -0.000110814 32
9587 225 H 34.4438 39.8206 1.89069 0.000988693 -0.00278554 0.00208561 32
9588 226 H 32.7267 40.1389 2.22589 0.00102416 -0.00136159 -0.00558359 32
9589 227 H 33.681 41.1763 1.10284 -0.00104729 0.00869867 0.00694838 32
9590 228 H 22.6773 38.293 33.4304 0.00204944 -0.00293062 -0.0124088 32
9591 229 H 22.6642 36.5362 33.5062 -3.91378e-05 0.00257588 -0.000632026 32
9592 230 H 24.0402 36.7861 35.7175 0.00148214 -0.00183593 -0.0103602 32
9593 231 H 23.5281 38.4169 35.7636 0.0144629 -0.000436434 -0.0150449 32
9594 232 H 21.1356 37.8942 36.1166 -0.0062841 -0.00478123 0.0073996 32
9595 233 H 21.3563 36.2399 35.7004 -0.000598036 0.00219942 0.0105898 32
9596 234 H 21.4666 36.0601 37.9961 -0.00264942 0.00658083 -0.00216632 32
9597 235 H 23.1309 36.1993 37.7261 -0.00282852 -0.00210114 0.00822039 32
9598 236 H 22.7081 38.8673 38.1412 0.00473484 -0.00676281 -0.00646381 32
9599 237 H 21.1163 38.3296 38.7002 0.000445084 -0.00725412 -0.000482439 32
9600 238 H 23.6276 37.0835 39.8868 0.00175488 -0.0037232 0.00574611 32
9601 239 H 23.2964 38.7894 40.2686 0.00800093 -0.00208873 0.000165901 32
9602 240 H 21.0272 38.0523 41.1138 0.00998959 0.0123392 -0.00435443 32
9603 241 H 21.5161 36.3885 40.8392 0.00658194 0.000689031 -0.00551501 32
9604 242 H 23.5403 36.8597 42.4091 -0.00109867 0.0035005 0.00105521 32
9605 243 H 22.8156 38.4532 42.6542 -0.00931025 -0.00263345 0.0168162 32
9606 244 H 20.9005 37.6633 43.6998 -0.00424973 -0.00402097 0.00313043 32
9607 245 H 21.3514 35.9515 43.3628 0.0008214 0.00222475 0.00944367 32
9608 246 H 23.2486 36.0468 44.8243 0.00313214 0.00221044 -0.00345224 32
9609 247 H 23.2257 37.8072 44.9788 0.00106104 -0.00469314 0.00524695 32
9610 248 H 21.2812 37.6894 46.452 0.00890038 0.00112407 0.00465336 32
9611 249 H 21.0232 35.9555 46.0624 -0.0016386 0.00228487 -0.0119368 32
9612 250 H 23.3717 37.2537 47.7169 0.00558316 -0.00316516 0.0103469 32
9613 251 H 22.1306 36.1597 48.2416 -0.0051492 -0.00438431 -0.00140262 32
9614 252 H 23.3904 35.593 47.0829 0.0170896 0.0123962 0.0178034 32
9615 253 H 30.3202 41.0801 33.8992 0.00119039 -0.000134913 -0.00255685 32
9616 254 H 28.7654 41.853 33.5825 -0.00597317 -0.00206269 0.00759766 32
9617 255 H 27.911 41.1783 35.7395 -0.00377825 0.00581531 -0.00669572 32
9618 256 H 29.453 40.2454 36.1081 -0.0179583 -0.00841164 0.00496456 32
9619 257 H 30.6044 42.4432 36.0992 0.00299407 0.0136732 0.016196 32
9620 258 H 29.0942 43.1832 35.5388 0.00903886 -0.00543989 -0.0173905 32
9621 259 H 29.3036 43.7256 37.9632 -0.00400824 -0.00546212 -0.00258593 32
9622 260 H 28.0896 42.4871 37.8393 -0.00345744 0.000554707 -0.00458292 32
9623 261 H 29.997 40.7291 38.2693 0.00471644 -0.00717541 0.00837676 32
9624 262 H 31.0515 42.151 38.6188 -0.000619671 -0.00832906 0.00538561 32
9625 263 H 28.5859 41.2023 40.1302 -0.00540156 0.0128593 -0.0112818 32
9626 264 H 30.1865 41.0639 40.6317 -0.00406032 0.00411887 0.00840361 32
9627 265 H 30.4087 43.6365 40.6343 -0.00466888 0.00288185 0.000488166 32
9628 266 H 28.6979 43.7511 40.3959 -0.00128819 -0.00603069 -0.00144798 32
9629 267 H 29.0344 43.9292 42.7887 -0.00615033 0.0163684 -0.0244766 32
9630 268 H 28.2404 42.4076 42.4641 -0.00335602 0.00776606 0.00142459 32
9631 269 H 30.2379 41.0532 42.8698 -0.00020857 0.00437483 -0.00778058 32
9632 270 H 31.329 42.4221 42.7096 0.00774651 -0.00294543 0.00673816 32
9633 271 H 31.2841 41.9233 45.0374 -0.0032316 0.00733688 0.00961584 32
9634 272 H 30.4355 43.4127 44.8854 -0.0103539 0.00662923 -0.00789596 32
9635 273 H 28.2338 42.2446 44.9651 -0.00456101 0.00237935 0.00165799 32
9636 274 H 29.0317 40.6859 45.1523 0.00342182 -0.00356475 0.0225384 32
9637 275 H 29.1595 43.0691 47.0988 0.00518647 0.0047507 -0.0149298 32
9638 276 H 28.3934 41.462 47.3178 -0.0110022 0.0185072 -0.00338342 32
9639 277 H 30.2038 41.6332 47.244 0.0013148 -0.0111786 -0.0161469 32
9640 278 H 28.9058 32.7947 33.707 1.6045e-06 0.00432532 -0.00434558 32
9641 279 H 30.3114 33.8473 34.1096 -0.00437718 0.0134693 0.00864298 32
9642 280 H 27.8214 33.4757 35.8079 0.00138433 0.00277921 0.000208754 32
9643 281 H 29.2026 34.4906 36.1724 0.0122316 -0.00872261 0.00365931 32
9644 282 H 30.7769 32.6369 36.2382 -0.00255617 -0.00406864 -0.0103213 32
9645 283 H 29.4457 31.4592 35.8498 0.00484594 -0.00814615 0.0184588 32
9646 284 H 30.0954 31.3462 38.2499 0.0035044 0.00686494 -0.00807159 32
9647 285 H 28.3999 31.6785 37.889 -0.00303065 0.0161482 0.00665485 32
9648 286 H 28.654 34.0218 38.3995 0.0149536 0.0199654 0.00437954 32
9649 287 H 30.3893 33.891 38.491 0.0025251 -0.00205246 -0.0118746 32
9650 288 H 28.3106 32.6927 40.4088 -0.000798091 0.00500075 0.00288081 32
9651 289 H 29.2418 34.2079 40.5926 -0.00137325 -0.00228951 0.00215938 32
9652 290 H 31.4005 32.9039 40.5254 0.00693676 -0.00889687 -0.00601313 32
9653 291 H 30.4953 31.4284 40.8119 -0.0108653 -0.00454855 0.0302398 32
9654 292 H 30.5179 34.0564 42.5639 -0.00946323 3.42579e-05 0.00124108 32
9655 293 H 31.4638 32.7183 42.934 0.00629997 0.0062879 -0.0104926 32
9656 294 H 29.6056 31.3101 43.5683 -0.0019177 -0.00475285 -0.00849103 32
9657 295 H 28.4205 32.4242 42.8357 -0.00566892 -0.0117927 0.0140622 32
9658 296 H 28.5966 32.4384 45.3161 -0.000304399 0.000393977 0.00508786 32
9659 297 H 28.8609 34.0265 44.5662 -0.012971 -0.00426627 0.0101052 32
9660 298 H 31.2808 33.9266 45.0186 0.00114203 -0.00107105 -0.000359034 32
9661 299 H 31.2286 32.2461 45.4911 0.00589482 0.00540884 0.00266955 32
9662 300 H 29.9279 32.7413 47.4803 -0.00690665 0.00560958 0.00396027 32
9663 301 H 29.6145 34.4151 46.8904 -0.0026934 -0.00231436 -0.00905058 32
9664 302 H 31.2373 33.9281 47.4828 0.000871773 -0.00601369 -0.000551365 32
9665 1 C 33.1439 33.9395 31.2871 -0.00290313 0.00425433 -0.00179582 33
9666 2 C 33.3104 33.8575 29.9043 -0.00140866 -0.00155971 -0.00230577 33
9667 3 C 32.7995 32.7862 29.2198 0.00382795 -0.000815478 -0.000903731 33
9668 4 C 32.1213 31.7619 29.9291 -0.00191063 -0.00380996 0.00402811 33
9669 5 C 31.9847 31.8267 31.3333 0.000733472 0.000368886 0.0032513 33
9670 6 C 32.5107 32.9411 32.0608 -2.64449e-05 0.000679735 0.00149717 33
9671 7 C 27.5499 30.3474 30.6924 2.05655e-05 9.46011e-05 -0.000943978 33
9672 8 C 27.7338 30.3212 29.299 0.000319487 -0.000588417 -0.0020615 33
9673 9 C 29.0072 30.3702 28.7996 0.000516751 0.00450897 0.000454502 33
9674 10 C 30.1163 30.4137 29.6664 0.00486387 0.000209709 -0.00200263 33
9675 11 C 29.9402 30.5047 31.0551 0.0020646 -0.00582657 -0.00069844 33
9676 12 C 28.6263 30.4761 31.6074 -0.00674577 0.00130979 0.00125097 33
9677 13 C 33.1028 27.145 31.2717 -0.00285996 -0.00304711 0.00473692 33
9678 14 C 33.3211 27.1675 29.9035 -0.00334327 -0.000297099 -0.000232829 33
9679 15 C 32.8105 28.2788 29.204 -0.0016282 -0.00214717 -0.00289241 33
9680 16 C 32.2365 29.349 29.9194 -0.000208252 0.000155235 0.000442459 33
9681 17 C 31.554 30.5129 29.2515 0.000290785 -0.00333191 -5.47948e-05 33
9682 18 O 32.3121 28.1215 33.3248 0.000634718 -0.000645848 0.00149438 33
9683 19 O 28.3745 30.5554 32.997 -0.00138579 0.00518043 0.000286137 33
9684 20 O 32.4708 33.1169 33.4511 -0.000705412 -0.000343733 0.00248968 33
9685 21 C 32.4781 28.1782 31.9678 -0.00176619 6.04337e-05 0.000848736 33
9686 22 C 31.8242 30.4911 27.8274 0.00282639 0.00384209 0.00262812 33
9687 23 C 32.3311 30.5463 26.7266 0.00197401 0.00570997 -0.003567 33
9688 24 C 33.1031 30.5887 25.5367 0.00370833 0.00116573 -0.00103372 33
9689 25 C 32.7242 31.3826 24.4388 -0.00184202 -0.00239069 0.00283092 33
9690 26 C 33.5752 31.4213 23.3418 0.001184 0.00071319 0.00588023 33
9691 27 C 34.8093 30.7425 23.3293 0.00270413 -3.57648e-05 -0.00391253 33
9692 28 C 35.1761 29.9376 24.4195 -0.000568217 0.000326947 0.000226188 33
9693 29 C 34.3052 29.848 25.5213 0.00329788 0.000955735 0.000724913 33
9694 30 C 35.6247 30.6767 22.1407 -0.00174635 0.000655871 -0.00140599 33
9695 31 C 36.1397 30.6972 21.0599 0.000134103 -0.00182297 -0.00338721 33
9696 32 C 34.7847 27.3286 18.832 -0.00270298 -0.00210706 8.65564e-05 33
9697 33 C 35.0518 27.2429 17.4637 0.000760181 -0.000645528 -0.00128675 33
9698 34 C 35.6673 28.3331 16.8197 0.00321379 -0.00292004 -0.00159623 33
9699 35 C 35.9988 29.5138 17.5403 -0.00125912 -0.00217087 0.00166136 33
9700 36 C 35.8002 29.5211 18.9389 -0.000907945 0.00346201 -0.00072569 33
9701 37 C 35.1694 28.4443 19.5888 -0.000553257 0.00243754 -0.00336109 33
9702 38 C 36.4471 30.7257 19.6498 -0.00394021 0.00461972 0.0018038 33
9703 39 C 40.3016 30.5388 19.3254 0.000736861 -0.00206384 0.00241432 33
9704 40 C 40.3794 30.6897 17.9233 -0.00110272 0.00248914 -0.00127737 33
9705 41 C 39.2475 30.8077 17.1164 0.00137975 -0.000201935 -0.00261128 33
9706 42 C 38.0098 30.8349 17.7614 -0.00163523 -0.000691845 -5.22588e-05 33
9707 43 C 37.897 30.7473 19.1786 -0.00168213 -0.00210146 0.0045234 33
9708 44 C 39.0531 30.6219 19.9619 -0.00186821 -0.00221604 0.000476646 33
9709 45 C 34.4659 33.9715 18.8919 -0.000565967 -0.0010039 0.000953348 33
9710 46 C 34.6046 34.0444 17.497 -0.000874387 -0.000307761 0.00101226 33
9711 47 C 35.3262 33.0414 16.8208 -3.11661e-07 -0.00198964 0.00332991 33
9712 48 C 35.9404 31.9939 17.5557 -0.00100796 -0.00342091 0.00016158 33
9713 49 C 36.6875 30.7783 16.9851 0.00242124 0.00487541 0.00234002 33
9714 50 C 35.8024 31.963 18.9587 0.00172249 -0.00453864 0.00429828 33
9715 51 C 35.1335 33.0101 19.6242 -0.00118003 0.0010301 -0.0016693 33
9716 52 O 39.3612 31.0256 15.7843 0.00526999 0.00269743 0.00166994 33
9717 53 O 36.0589 28.2025 15.483 -0.00147198 0.00297396 -0.00107342 33
9718 54 O 35.5135 33.1522 15.4621 0.00428101 0.000574994 2.60577e-05 33
9719 55 C 31.2463 30.5679 31.8454 -0.000396985 0.00361507 -0.000943581 33
9720 56 C 32.0402 29.3424 31.296 0.000413233 0.00407971 -0.000664147 33
9721 57 C 39.6788 29.9596 14.8664 0.00261574 0.000848316 0.00211493 33
9722 58 C 39.3022 30.4301 13.4699 9.42523e-05 -0.00126705 -0.00249825 33
9723 59 C 37.7819 30.6358 13.3011 -0.00457132 -0.000522256 -0.00235998 33
9724 60 C 37.1817 30.5597 11.8725 -0.00112536 0.000818092 0.00513757 33
9725 61 C 38.0274 30.1534 10.7048 -0.00233954 0.00275835 0.00130189 33
9726 62 C 37.3409 30.4771 9.36177 -0.00160131 0.000937705 -0.000428131 33
9727 63 C 38.3046 30.2575 8.21125 0.00175634 0.00313962 -0.000749511 33
9728 64 C 37.683 30.5567 6.84426 -0.00135486 -0.000532543 -0.00107298 33
9729 65 C 38.5991 30.2026 5.6541 0.00155211 -0.00519499 -0.000712054 33
9730 66 C 37.8665 30.4301 4.34192 0.00104987 -0.00024608 -0.0023598 33
9731 67 C 38.7378 30.0416 3.1609 -0.00132584 -0.00351412 0.00124341 33
9732 68 C 38.086 30.3729 1.81026 0.00197939 0.00226733 0.00223786 33
9733 69 F 33.1487 32.1348 22.296 0.000252076 0.00186615 -0.000317286 33
9734 70 C 36.4149 26.9298 14.8913 0.000150121 -0.00178008 0.003606 33
9735 71 C 37.0257 27.1136 13.5135 0.00334933 -0.000361058 -0.00226755 33
9736 72 C 37.4022 25.7695 12.842 0.000419821 0.00195688 -0.00331266 33
9737 73 C 37.7899 25.9293 11.346 -0.000118319 -0.000127062 -0.00111462 33
9738 74 C 38.349 24.6114 10.7798 -0.00501605 -0.00108538 0.00162601 33
9739 75 C 39.2516 24.7239 9.54491 -0.000532828 0.00178657 -0.00197497 33
9740 76 C 38.5312 24.9254 8.19984 0.00431776 -0.00220327 0.000582495 33
9741 77 C 38.2813 26.3776 7.8142 -0.000837095 0.00180507 0.00134421 33
9742 78 C 37.679 26.6301 6.39918 0.00146353 -0.00069922 0.00143957 33
9743 79 C 38.6264 26.2455 5.2262 0.00214178 -0.000942206 -0.000848839 33
9744 80 C 37.9106 26.2796 3.86988 0.000906164 0.00110228 -0.00449257 33
9745 81 C 38.8339 25.7416 2.74764 0.000311221 0.0013974 0.00369525 33
9746 82 C 34.553 32.5675 14.5755 -0.00089955 -0.000205008 -0.000900266 33
9747 83 C 34.8222 33.1456 13.1668 0.00172251 -0.000465488 0.00350913 33
9748 84 C 34.1164 32.3932 12.0681 0.00163948 0.00158184 0.00085789 33
9749 85 C 34.2728 33.0547 10.71 -0.000276045 -0.00113405 -0.000325291 33
9750 86 C 33.5917 32.2491 9.59986 0.00190767 0.00146759 -0.00584508 33
9751 87 C 33.1166 33.0809 8.42839 0.00285645 -0.00181567 0.000743848 33
9752 88 C 34.0585 33.1461 7.22774 -0.00381434 0.00500006 0.000233702 33
9753 89 C 34.0659 31.9041 6.34675 -0.00241463 0.00131697 0.0048635 33
9754 90 C 34.7974 32.0192 5.01108 -0.00263473 -0.000213105 -0.00195124 33
9755 91 C 34.1622 33.0184 3.99332 0.00206009 -0.001298 -0.000385215 33
9756 92 C 33.7143 32.4019 2.65747 -0.000302546 -0.000205518 -0.00267776 33
9757 93 C 34.7639 32.2785 1.55428 -0.000413549 -0.00129504 0.000670155 33
9758 94 C 27.0454 30.3361 33.4872 0.00118691 -0.000633935 -0.00346052 33
9759 95 C 27.0192 30.5626 34.998 -0.000435302 0.00495839 -0.000670428 33
9760 96 C 25.6271 30.2929 35.6369 -0.00355103 -0.00674419 -9.59465e-06 33
9761 97 C 25.5108 30.8646 37.0762 0.000291254 -0.00305381 -0.000987252 33
9762 98 C 25.551 29.8906 38.235 -0.00227432 -0.00337726 -0.00222509 33
9763 99 C 25.9671 30.5904 39.5404 -0.000942668 -0.00144043 -5.16461e-05 33
9764 100 C 25.7722 29.6657 40.7843 0.00179308 -0.00182303 0.000640953 33
9765 101 C 26.3566 30.2635 42.1127 0.0029302 -0.000446003 0.00226202 33
9766 102 C 26.0653 29.3031 43.2581 0.00114178 0.00149187 0.000561428 33
9767 103 C 26.7322 29.6377 44.6395 -0.00252583 0.00644693 0.00564904 33
9768 104 C 25.8896 30.6236 45.4686 -0.000975602 -0.000283676 0.00374034 33
9769 105 C 26.3336 30.7853 46.936 -0.00134588 1.0876e-05 -0.00192666 33
9770 106 C 33.2094 34.2338 34.0869 -0.00044889 0.00450063 -0.0010227 33
9771 107 C 33.0713 34.425 35.5957 0.00154421 -0.000779048 0.00232551 33
9772 108 C 33.9743 35.5684 36.1249 -0.000203456 0.00224352 6.19838e-05 33
9773 109 C 33.6322 36.048 37.5595 -0.00187758 -0.000643135 -0.00750369 33
9774 110 C 33.4509 35.0416 38.7172 -0.00128647 -0.00111337 -0.00173231 33
9775 111 C 33.8898 35.6554 40.0737 0.00152503 -0.00452802 -0.00316814 33
9776 112 C 33.4944 34.8423 41.3364 -0.00210555 0.00248458 -0.000839791 33
9777 113 C 34.1434 35.5455 42.5698 -0.00426708 -0.00416737 -0.00159524 33
9778 114 C 33.6405 35.1446 43.9387 0.00176829 0.00404745 0.00148332 33
9779 115 C 34.4114 35.8226 45.0648 -0.00221781 -0.000333979 -0.00141768 33
9780 116 C 33.8183 35.6829 46.4863 -0.00144048 -0.000343585 0.00151126 33
9781 117 C 34.0319 34.3372 47.1734 0.0019796 0.0026729 -0.00167363 33
9782 118 C 32.5248 26.9103 34.1162 0.00307022 -0.00128722 -0.000381021 33
9783 119 C 32.8285 27.3034 35.541 0.00107879 0.00519359 0.00114746 33
9784 120 C 33.0859 26.0872 36.4909 0.000479769 0.000837971 0.00334626 33
9785 121 C 33.7368 26.4397 37.8422 -0.000175241 -0.000395803 -0.000720138 33
9786 122 C 33.4195 25.4512 38.944 -0.00266656 0.000192341 -0.00106113 33
9787 123 C 34.0853 25.9199 40.2313 -0.00177293 -0.00068687 0.00342877 33
9788 124 C 33.534 25.2095 41.5017 0.00289054 -0.00294699 0.00248212 33
9789 125 C 34.0424 25.7626 42.8319 0.000704195 0.00293561 -0.00121163 33
9790 126 C 33.3771 25.0263 44.0046 0.000172773 -0.00510647 -7.11958e-05 33
9791 127 C 34.0289 25.3335 45.354 -0.00120012 -0.000131034 -0.00454695 33
9792 128 C 33.5303 26.5648 46.0609 0.00172714 0.00237528 0.0021292 33
9793 129 C 34.4992 26.9903 47.1823 0.000596134 -0.00295971 -0.00236978 33
9794 130 F 31.5507 32.0999 24.4483 0.00354498 -0.00112114 0.00203668 33
9795 131 H 33.6413 34.8025 31.7196 -0.00368376 0.000912284 0.00574436 33
9796 132 H 33.8859 34.6115 29.3753 0.00907085 -0.00851114 -0.000826445 33
9797 133 H 33.0027 32.7352 28.1542 -0.00626528 -0.00349532 -0.00269388 33
9798 134 H 26.5305 30.2709 31.059 0.00465149 -0.00575721 0.0107351 33
9799 135 H 26.8733 30.2108 28.6459 -0.00668607 0.00793962 0.00571435 33
9800 136 H 29.1438 30.3208 27.7233 -0.00149323 0.00443525 0.000203092 33
9801 137 H 33.5606 26.287 31.755 0.0130757 0.00265776 -0.000132384 33
9802 138 H 33.8386 26.3394 29.4283 0.0132864 0.0113526 -0.00240251 33
9803 139 H 33.0311 28.2879 28.1407 0.0114154 -0.00848682 -0.000283262 33
9804 140 H 36.0838 29.3447 24.4823 0.00505689 0.0078318 -0.0110378 33
9805 141 H 34.6808 29.2846 26.3704 0.00373058 0.00847367 0.00552114 33
9806 142 H 34.309 26.5048 19.3559 0.000499373 -0.00609716 -0.00328779 33
9807 143 H 34.7644 26.3403 16.9325 -0.00468827 0.00346275 -0.00531924 33
9808 144 H 35.0558 28.3779 20.6668 0.0106722 -0.00473775 -0.00260489 33
9809 145 H 41.2273 30.4272 19.8822 -0.0010569 -0.00713495 0.00436649 33
9810 146 H 41.3332 30.5825 17.4152 0.00590747 0.0118658 0.00996018 33
9811 147 H 39.0035 30.5861 21.0462 -0.00621778 -0.0114168 -3.40694e-05 33
9812 148 H 33.8385 34.6864 19.4161 -0.00437633 -0.00359113 -7.18613e-05 33
9813 149 H 34.0873 34.8126 16.9298 -0.00361659 -0.00277161 0.000171656 33
9814 150 H 36.7612 30.7502 15.891 -0.0028192 -0.00678002 0.00227099 33
9815 151 H 35.0386 33.0593 20.7049 -0.00140939 0.0171924 -0.00241143 33
9816 152 H 31.035 30.5997 32.9214 0.00953317 -0.00294482 0.00117633 33
9817 153 H 40.7451 29.7071 14.9177 0.00432005 0.00858955 0.00480041 33
9818 154 H 39.0785 29.0779 15.1229 0.0117136 -0.00722078 -0.00437876 33
9819 155 H 39.7159 29.6907 12.7731 0.00965883 -0.00436282 0.00643013 33
9820 156 H 39.8566 31.3555 13.2705 0.00359219 -0.00463015 -0.00840345 33
9821 157 H 37.4076 31.5632 13.752 -0.00365011 -0.0073279 0.0123725 33
9822 158 H 37.3035 29.8488 13.8969 0.0061401 1.55495e-05 0.00696967 33
9823 159 H 36.734 31.5324 11.6344 -0.00844309 -0.00380734 -7.83447e-05 33
9824 160 H 36.2759 29.9424 11.9162 0.00174992 -0.00389083 -0.00224933 33
9825 161 H 38.2264 29.0766 10.7696 -0.00048744 0.00280082 -0.0036624 33
9826 162 H 39.0142 30.6275 10.7756 0.000578724 -0.00596747 0.0194834 33
9827 163 H 36.9235 31.4911 9.39322 0.00140194 0.00199899 0.00524437 33
9828 164 H 36.4489 29.8574 9.2082 0.00649326 -0.00481672 -0.0241952 33
9829 165 H 38.6613 29.227 8.3313 -0.00173478 0.00284824 0.0073074 33
9830 166 H 39.19 30.8938 8.33176 0.00675344 -0.00299647 -0.00502802 33
9831 167 H 37.41 31.6187 6.81306 -0.00341291 -0.00115763 -0.00427631 33
9832 168 H 36.7699 29.963 6.7129 -0.00425677 0.000475136 0.0147217 33
9833 169 H 38.89 29.1461 5.7053 0.00224954 -0.00542512 -0.00937918 33
9834 170 H 39.531 30.7813 5.66744 0.000599623 -0.00369294 0.000522698 33
9835 171 H 37.5793 31.4864 4.27015 -0.0138231 -0.00427341 -0.00205363 33
9836 172 H 36.9712 29.7988 4.39921 0.00131493 -8.39408e-05 0.00381956 33
9837 173 H 39.0901 29.005 3.22993 0.0117462 -0.000130425 -0.0143738 33
9838 174 H 39.6569 30.6402 3.17767 -0.000486326 -0.00484944 0.00281997 33
9839 175 H 37.7922 31.4296 1.82881 -0.00282544 0.000985902 -0.000775192 33
9840 176 H 37.1644 29.8097 1.61861 -0.000196401 0.00748656 -0.00266854 33
9841 177 H 38.8696 30.1605 1.07247 0.00216529 -0.00287127 0.00389906 33
9842 178 H 37.1373 26.4753 15.5805 -0.00316672 -0.0222727 -0.00649446 33
9843 179 H 35.5385 26.2703 14.871 -0.00446214 0.00460851 -0.00406417 33
9844 180 H 36.3002 27.6445 12.8849 0.00179963 0.00219377 0.00167731 33
9845 181 H 37.9156 27.7548 13.4933 -0.000623061 0.00565066 0.0163449 33
9846 182 H 38.3028 25.3949 13.344 0.00328025 0.0148735 0.00123097 33
9847 183 H 36.5891 25.0376 12.9239 -0.00285783 0.00367486 -0.0202827 33
9848 184 H 36.9228 26.2133 10.737 0.00620128 -0.00327694 -0.0115789 33
9849 185 H 38.5354 26.7316 11.2844 0.00911166 -0.00805467 0.00722359 33
9850 186 H 38.9838 24.118 11.5261 -0.00441936 0.00168271 0.0029445 33
9851 187 H 37.5012 23.9403 10.5945 -0.00548602 0.00214869 -0.00793121 33
9852 188 H 39.9796 25.5368 9.65755 -0.00490242 0.0084281 -0.0214489 33
9853 189 H 39.8593 23.8119 9.49722 0.00454551 0.0047176 0.00647395 33
9854 190 H 39.169 24.5016 7.41429 0.00546022 -0.00634564 0.00374886 33
9855 191 H 37.5735 24.3906 8.21265 -0.000202337 0.0059098 0.00170319 33
9856 192 H 37.6609 26.8284 8.59862 0.00498514 -0.00485778 0.00979618 33
9857 193 H 39.237 26.9162 7.81877 0.00628285 -0.0106777 -0.0136694 33
9858 194 H 36.7196 26.1092 6.2919 0.0033807 -0.00284666 -0.0052927 33
9859 195 H 37.4545 27.7039 6.39829 -0.00986611 -0.0030346 0.014843 33
9860 196 H 39.4425 26.9779 5.19407 0.00691168 -0.00646487 -0.00527975 33
9861 197 H 39.0567 25.2501 5.39204 0.00157613 0.000842976 0.0113495 33
9862 198 H 36.972 25.7157 3.9368 0.0043113 -0.00306191 0.00825915 33
9863 199 H 37.6236 27.3143 3.64502 -0.00427679 0.00212017 0.00679564 33
9864 200 H 38.2263 25.4983 1.86724 -0.00734553 0.0160134 0.00491616 33
9865 201 H 39.5293 26.4882 2.34471 0.00365074 -0.00416944 -0.000887107 33
9866 202 H 39.3673 24.8425 3.07995 -0.00589296 -0.00386591 -0.000576978 33
9867 203 H 34.668 31.4766 14.5722 -0.0114794 -0.00129857 -0.00576508 33
9868 204 H 33.544 32.8703 14.8814 -0.00164349 -0.0107429 0.00702318 33
9869 205 H 34.4418 34.1743 13.1468 0.00749768 0.00131857 -0.0145771 33
9870 206 H 35.9041 33.1761 12.9877 0.00207636 0.00137092 0.00594864 33
9871 207 H 34.4417 31.3459 12.0399 0.00393495 0.00225643 0.00223946 33
9872 208 H 33.058 32.4906 12.3395 0.00427454 0.0102198 0.00810854 33
9873 209 H 33.9812 34.1107 10.7671 -0.00330071 -0.001274 -0.013429 33
9874 210 H 35.3378 33.0752 10.4479 0.00406909 0.0102446 0.0182808 33
9875 211 H 34.2237 31.4233 9.25054 -0.0118029 -0.00979424 -0.00406657 33
9876 212 H 32.7012 31.767 10.0218 -0.000324906 0.00942897 -0.00146962 33
9877 213 H 32.1863 32.6433 8.04574 -0.00330322 -0.00135469 0.0152445 33
9878 214 H 32.9008 34.1079 8.74801 0.00764791 -0.000345747 -0.000730028 33
9879 215 H 33.7539 33.9923 6.59965 -0.00534349 0.00261917 -0.0022317 33
9880 216 H 35.0857 33.3839 7.5307 0.000601953 -0.00476837 -0.00706175 33
9881 217 H 34.5492 31.1065 6.92444 -0.00801713 -0.000626727 0.00686727 33
9882 218 H 33.0471 31.555 6.13791 0.00073394 -0.00676137 0.00295817 33
9883 219 H 35.8065 32.3593 5.27497 1.54617e-05 -0.00708381 -0.00326529 33
9884 220 H 34.8822 31.03 4.54442 0.00473857 0.00857426 -0.0192555 33
9885 221 H 33.3409 33.5491 4.49057 -0.000186384 -0.00817374 0.0032373 33
9886 222 H 34.8811 33.8178 3.77545 0.00315604 -0.00395318 -0.00650306 33
9887 223 H 33.2574 31.4249 2.85818 0.00298241 0.00127917 0.0120494 33
9888 224 H 32.9562 33.0288 2.17221 -0.00279841 0.000783817 0.00252954 33
9889 225 H 34.289 31.8099 0.68345 0.00960015 -0.00615874 -0.00214782 33
9890 226 H 35.1385 33.2742 1.28649 0.00290032 -0.00251404 0.000765917 33
9891 227 H 35.6297 31.7185 1.92863 0.00300642 -0.00106166 -0.0069049 33
9892 228 H 26.3804 31.0607 33.0012 0.00521466 0.00187477 -0.00524079 33
9893 229 H 26.6743 29.3167 33.3242 -0.0177885 0.00651084 -0.00510698 33
9894 230 H 27.8157 29.9419 35.4266 0.0119754 0.0185974 -0.00399321 33
9895 231 H 27.2422 31.6301 35.1164 0.0129747 0.000931145 0.0102107 33
9896 232 H 24.8682 30.7269 34.9741 -0.010322 -0.013832 0.00310131 33
9897 233 H 25.4033 29.219 35.6349 -0.00759459 -0.0058881 -0.0127453 33
9898 234 H 26.3009 31.6117 37.2209 -0.00350548 0.000633151 0.000679082 33
9899 235 H 24.5366 31.3681 37.104 -0.000596872 -0.00544151 0.0108042 33
9900 236 H 24.5253 29.5086 38.309 0.000110765 -0.00824445 0.00540893 33
9901 237 H 26.2797 29.0983 38.0239 -0.0130157 -0.014879 0.00397488 33
9902 238 H 27.0134 30.9072 39.4495 -0.000954637 -0.00167819 -0.00102573 33
9903 239 H 25.355 31.4916 39.6687 -0.0142198 -0.00952977 -0.00649643 33
9904 240 H 24.6971 29.495 40.9199 -0.000629106 0.00842938 -0.00563364 33
9905 241 H 26.2298 28.6832 40.6149 0.0152572 0.00717826 -0.0151252 33
9906 242 H 27.4302 30.4819 42.0581 0.00202883 0.00142234 -0.0078329 33
9907 243 H 25.854 31.2089 42.3514 -0.00350715 -0.00369358 0.00158102 33
9908 244 H 24.9751 29.2776 43.3777 0.00114562 0.0116486 0.00294071 33
9909 245 H 26.4491 28.3152 42.9748 -0.00516693 -0.00383233 0.0105831 33
9910 246 H 26.8067 28.672 45.1545 -0.00627768 0.00123407 -0.00354194 33
9911 247 H 27.7736 29.9546 44.5038 0.00308564 -0.0169532 -0.00627451 33
9912 248 H 25.8567 31.6001 44.9698 -0.00416794 -0.00475946 -0.00482109 33
9913 249 H 24.8537 30.2744 45.5605 -0.0033808 0.00273256 -0.012254 33
9914 250 H 27.3936 31.0677 46.9404 -0.00258034 0.00457749 0.000230854 33
9915 251 H 25.7477 31.4949 47.533 -0.00275257 0.000876199 -0.00434507 33
9916 252 H 26.2582 29.8244 47.4598 -0.0095235 0.000473855 -0.00225648 33
9917 253 H 34.2788 34.1645 33.8521 -0.000827225 0.000677359 -0.00160594 33
9918 254 H 32.8454 35.1585 33.6224 0.0128493 0.0075515 -0.00532138 33
9919 255 H 32.0118 34.614 35.8082 0.00357992 0.00484455 0.00743756 33
9920 256 H 33.3348 33.4965 36.1171 -0.00754951 -0.0033461 0.00236147 33
9921 257 H 35.0289 35.2677 36.1548 -0.000610111 -0.000477019 -0.0131859 33
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10152 186 H 37.6003 35.2008 9.72238 0.0171328 0.0270042 0.00589299 34
10153 187 H 39.1522 35.7326 8.97263 0.000705565 0.00445081 -0.000209161 34
10154 188 H 38.674 33.4121 7.58297 0.0192226 0.013229 -0.00833412 34
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10156 190 H 37.3351 36.0708 6.85696 -0.00605857 -0.00815104 0.0147536 34
10157 191 H 39.0584 35.7593 6.65832 0.000735034 0.00289648 0.00336156 34
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10159 193 H 36.7438 34.2116 5.32707 -0.00971376 0.0232762 -0.00387634 34
10160 194 H 37.3599 36.0815 3.80127 0.00375207 0.0100293 0.0177519 34
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10162 196 H 38.6524 33.4496 3.08135 0.0111747 0.00177849 -0.0189438 34
10163 197 H 37.0099 33.9468 2.73973 0.00573587 -0.0122689 0.00123686 34
10164 198 H 37.7382 35.6941 1.279 -0.00392617 -0.002759 0.0136584 34
10165 199 H 39.4683 35.3328 1.54218 0.00285017 -0.00473534 0.00559998 34
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10171 205 H 42.5092 40.1047 12.6522 -0.00218278 0.00173152 0.0129553 34
10172 206 H 40.8501 40.0026 12.0315 0.00428532 -0.00460195 0.00107732 34
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10175 209 H 42.2886 40.4004 10.067 0.0139365 -0.000427205 0.0094739 34
10176 210 H 40.9838 41.4801 9.77871 0.00260179 0.00882735 0.00158949 34
10177 211 H 42.8393 43.3182 9.33567 0.000611323 -0.000349594 -0.0103268 34
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10179 213 H 43.7201 42.2136 7.225 -0.00121849 0.00063558 -0.00403146 34
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10181 215 H 40.7247 41.9633 6.97791 0.00608653 -0.0126037 -0.00282935 34
10182 216 H 41.2262 43.4559 7.76261 -0.00434158 0.000379456 -0.00673008 34
10183 217 H 41.1138 44.0262 5.46973 0.00489613 0.0122567 0.00341345 34
10184 218 H 42.7673 43.9655 5.7494 -0.00392801 0.00211847 -0.00506284 34
10185 219 H 43.1166 41.8505 4.67312 -0.00416687 -0.00430565 -0.00487508 34
10186 220 H 41.4637 41.4807 4.5154 -0.00746182 0.00668643 -0.00404831 34
10187 221 H 41.219 43.5482 3.07172 0.00467883 -0.000975064 -0.0130912 34
10188 222 H 42.9167 43.8802 3.24765 0.00150443 0.00275333 -0.00854196 34
10189 223 H 42.7073 42.7739 1.17052 -0.0100613 -0.00247878 0.00807804 34
10190 224 H 43.2769 41.4633 2.25139 0.00244533 0.00250418 0.00170946 34
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10192 226 H 41.4557 40.6983 0.715225 0.00940876 -0.0100403 0.0136394 34
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10198 232 H 29.1003 37.0649 34.5875 -7.79838e-05 0.00741169 0.00194906 34
10199 233 H 30.4127 35.9766 35.1524 0.00873353 0.00477069 -0.00592122 34
10200 234 H 30.9285 38.2226 36.6685 0.00109731 0.00573094 -0.00626505 34
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10212 246 H 30.0156 35.8785 43.875 0.0054095 -0.000361237 0.00517502 34
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10215 249 H 28.6678 37.7651 44.5293 0.000709512 0.00323697 0.00425551 34
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10217 251 H 30.1022 36.926 46.4006 0.0105932 0.00567533 0.00540631 34
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10222 256 H 37.6683 40.1006 35.2152 -0.00255822 0.00599641 0.00160394 34
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10224 258 H 36.5055 42.9427 34.9582 -0.00601484 -0.00180595 0.00415608 34
10225 259 H 36.469 43.3232 37.2895 -0.00396865 -0.00560664 0.0091577 34
10226 260 H 35.7444 41.7365 37.0689 0.00296426 -0.00752447 0.0106758 34
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10228 262 H 38.7002 42.1831 37.6819 0.00143803 0.00257109 0.000834608 34
10229 263 H 37.5394 43.4622 39.4594 0.00272682 -0.00108114 0.00463648 34
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10231 265 H 38.3773 40.703 40.4855 0.0132587 -0.00203167 -0.00291908 34
10232 266 H 39.4077 42.1176 40.2411 -0.00184654 -0.00324365 0.00324495 34
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10235 269 H 35.9473 42.2864 41.9831 -0.00552066 -0.00782907 0.0107154 34
10236 270 H 36.7207 40.752 42.5758 0.000771074 -0.00194452 -0.0030525 34
10237 271 H 36.9583 43.4296 44.1008 -0.00137824 -5.93413e-05 0.0057716 34
10238 272 H 35.5953 42.3242 44.3459 0.000908775 0.00139623 -0.00134394 34
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10240 274 H 38.5459 41.7034 44.9779 0.000112967 -0.00557316 0.00292314 34
10241 275 H 37.6422 41.2916 47.2164 -0.00290451 0.00427912 0.010003 34
10242 276 H 37.35 43.0023 46.7361 -0.0093391 0.000346194 -0.00214669 34
10243 277 H 36.023 41.8322 46.721 4.05482e-05 -0.00496843 0.00793924 34
10244 278 H 36.8358 32.9014 33.1965 0.00171349 -0.00727552 0.0113952 34
10245 279 H 38.1883 34.1093 33.4677 -0.00225226 0.0101866 -3.1104e-05 34
10246 280 H 35.8617 33.5189 35.2932 -0.0012492 -0.00677359 -0.00703324 34
10247 281 H 37.1716 34.7216 35.5699 0.00239525 0.00732986 -0.0131868 34
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10251 285 H 38.4354 31.9023 37.6585 -0.0222844 -0.00160118 0.0241464 34
10252 286 H 36.1357 32.1483 38.0582 0.00198905 -0.00501722 -0.00363021 34
10253 287 H 36.1693 33.8705 37.7831 0.00562327 0.00478504 -0.00117247 34
10254 288 H 36.2314 33.8465 40.1399 -0.00148703 -0.00519617 0.00193454 34
10255 289 H 37.988 33.8683 39.8471 -0.00420899 -0.0018241 0.0116465 34
10256 290 H 37.5817 31.1673 39.893 -0.00133283 0.0148145 -0.0163522 34
10257 291 H 36.0867 31.6039 40.7215 0.0013385 -0.0050845 0.00665551 34
10258 292 H 38.7601 32.5929 41.65 0.000248011 -0.00212851 -0.0072974 34
10259 293 H 38.0817 31.0906 42.2474 0.0112732 -0.0030068 -0.00966629 34
10260 294 H 36.0082 32.6458 43.0019 -0.0012931 -0.00140543 0.0216588 34
10261 295 H 37.1756 33.9157 42.8028 0.0118926 -0.00292446 -0.00401333 34
10262 296 H 38.857 32.7435 44.1618 -0.00537775 0.00633627 -0.0132579 34
10263 297 H 37.6911 31.4805 44.5683 -0.000867946 -0.00144884 -0.00194192 34
10264 298 H 36.1627 33.2617 45.4507 0.00285678 -0.0219159 0.00530579 34
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10267 301 H 38.6923 32.684 47.0809 0.00300629 -0.00671427 -0.00691709 34
10268 302 H 37.3075 31.6326 46.9285 -0.00435753 0.00113057 -0.00682864 34
10269 1 C 40.8059 33.8048 31.0451 -0.000564209 -0.00120067 -0.00475581 35
10270 2 C 40.8554 33.7047 29.6528 -0.000120704 -0.0011374 -0.000688354 35
10271 3 C 40.4838 32.5036 29.0244 -1.42901e-06 -0.00189204 0.00292975 35
10272 4 C 39.8889 31.4664 29.815 0.00104304 -0.00270513 -0.00272464 35
10273 5 C 39.7772 31.5724 31.2114 0.00475072 -0.000566141 -0.00205388 35
10274 6 C 40.301 32.7343 31.8411 -5.21746e-05 0.000288599 0.000835866 35
10275 7 C 35.2991 30.6468 30.7775 0.00365915 0.00271208 -0.00171792 35
10276 8 C 35.4149 30.5326 29.3912 0.00352198 -0.00215538 -0.000776217 35
10277 9 C 36.6946 30.3215 28.8498 -0.000416255 0.00435768 0.00111676 35
10278 10 C 37.7811 30.3071 29.7158 0.00171366 0.00688279 -0.00178995 35
10279 11 C 37.6534 30.4067 31.1254 0.000912455 -0.00405084 -0.00452718 35
10280 12 C 36.3761 30.5865 31.6931 -0.000455286 0.00617108 -0.000567162 35
10281 13 C 40.6855 26.8561 31.5272 0.000615795 0.000923523 -0.00361772 35
10282 14 C 40.8293 26.8289 30.1535 3.59456e-05 -0.00192241 0.00149729 35
10283 15 C 40.3589 27.8643 29.3594 0.000911514 0.00377968 -0.00437277 35
10284 16 C 39.8272 29.0075 30.0033 -0.000416939 0.000544101 0.00175509 35
10285 17 C 39.2276 30.1829 29.2489 0.00385004 -0.00231995 0.00108155 35
10286 18 O 40.0803 27.9303 33.5907 -0.000305261 3.78678e-05 0.00119144 35
10287 19 O 36.1305 30.6242 33.0572 -0.00352503 0.000141441 0.00341151 35
10288 20 O 40.2635 32.8825 33.2549 -0.00463836 -0.00394726 0.000666157 35
10289 21 C 40.1295 27.9568 32.2073 -0.000921671 0.000147338 -0.00324817 35
10290 22 C 39.455 30.0755 27.7749 -0.0030322 0.00138398 -0.00180063 35
10291 23 C 39.9083 30.0826 26.631 -0.00672234 0.00381028 0.00197967 35
10292 24 C 40.6565 30.2148 25.4324 -0.000140335 0.00150571 -0.000598559 35
10293 25 C 40.3411 31.1913 24.4482 0.00260435 0.000532308 -0.00113789 35
10294 26 C 41.2264 31.4049 23.384 -0.000113289 -0.00268519 -0.00375421 35
10295 27 C 42.3828 30.5801 23.2208 -0.00188158 -0.00214849 0.00185526 35
10296 28 C 42.6469 29.5991 24.2215 8.73894e-05 -0.00213082 0.00348402 35
10297 29 C 41.7717 29.3883 25.2922 0.0024263 0.00278372 -0.00107527 35
10298 30 C 43.2513 30.6963 22.0852 0.000539417 -7.02871e-05 0.00142358 35
10299 31 C 43.7646 30.7416 20.9919 -0.00345144 7.7926e-05 -0.000904215 35
10300 32 C 42.8163 27.1514 18.7344 0.00133685 -0.00269532 -0.00531931 35
10301 33 C 43.0369 27.2066 17.3493 -0.00154379 -0.00257768 -0.000897266 35
10302 34 C 43.6428 28.2917 16.7264 0.000662908 -0.000910505 0.00438401 35
10303 35 C 43.9248 29.4352 17.4854 -0.00214147 -0.0011493 0.00320059 35
10304 36 C 43.6693 29.4301 18.8967 -0.00267783 -0.0010091 -0.000964037 35
10305 37 C 43.1247 28.2755 19.5167 9.45744e-05 0.00131312 0.000175375 35
10306 38 C 44.1268 30.7569 19.5638 0.00194742 0.00556267 -0.00247123 35
10307 39 C 48.0122 31.0151 19.389 -0.00318382 0.0034549 -0.00248471 35
10308 40 C 48.1582 31.1712 17.9627 0.00207514 0.000692547 0.0042625 35
10309 41 C 47.0859 31.121 17.1138 0.0040635 0.00304599 -0.00479984 35
10310 42 C 45.7867 30.9312 17.6936 -0.000508779 -0.00270147 -0.000548564 35
10311 43 C 45.6079 30.8714 19.1134 7.93989e-05 -0.000173594 0.00124142 35
10312 44 C 46.743 30.8936 19.937 -0.0046993 0.000197946 -0.000359915 35
10313 45 C 42.1811 33.9643 18.6583 8.42016e-05 0.00232265 -0.00225599 35
10314 46 C 42.4061 33.9721 17.2782 0.00133054 -0.00490091 0.00420334 35
10315 47 C 43.1592 32.9464 16.6471 0.000950098 -0.00189065 -0.00206364 35
10316 48 C 43.6767 31.9368 17.4379 -0.000991368 -0.00303483 -0.00106682 35
10317 49 C 44.4818 30.7655 16.9413 0.000394281 -0.00447046 -0.00063695 35
10318 50 C 43.4595 31.9266 18.8352 0.002553 0.00192183 -0.0012792 35
10319 51 C 42.7089 32.9405 19.4651 0.0016644 -0.00343056 0.00200853 35
10320 52 O 47.2548 31.5359 15.7862 -0.0022209 0.000668266 -0.00386408 35
10321 53 O 43.8015 28.2839 15.3701 -0.000894725 -8.15427e-06 0.000203671 35
10322 54 O 43.4055 33.0154 15.2851 -0.000133242 0.000349873 -0.0013419 35
10323 55 C 39.0119 30.4084 31.8655 -0.00320173 -0.0046825 -0.000771479 35
10324 56 C 39.7306 29.0894 31.426 -0.00171888 -0.00299576 0.00263824 35
10325 57 C 47.1375 30.6558 14.6619 7.03411e-05 -0.00212008 -0.000927034 35
10326 58 C 46.8864 31.5259 13.4149 -0.00215689 -0.000937544 -0.0029154 35
10327 59 C 46.7821 30.6802 12.1318 -0.000178887 -0.000479347 0.00534702 35
10328 60 C 46.5733 31.4464 10.8208 -0.00310953 0.00148201 0.00109958 35
10329 61 C 46.3907 30.5191 9.63552 -0.000731928 0.0015579 -0.00224897 35
10330 62 C 46.2772 31.288 8.3083 -0.000695133 0.0016065 0.00241333 35
10331 63 C 46.3825 30.2889 7.10368 0.00550101 0.00109483 -0.00235009 35
10332 64 C 46.1227 30.9215 5.69901 -0.00354875 0.000361631 0.00583536 35
10333 65 C 46.2717 29.8645 4.60491 -0.00352212 -0.000416449 -0.00329081 35
10334 66 C 45.8698 30.2573 3.14511 0.0050241 -0.000546338 -0.000664415 35
10335 67 C 46.8561 31.1246 2.37153 -0.001828 -0.000555886 -0.000529016 35
10336 68 C 46.4205 31.4003 0.902462 0.00213793 -0.00289312 0.00169982 35
10337 69 F 40.8178 32.2462 22.4594 0.00281024 0.00207862 0.00203741 35
10338 70 C 44.2392 27.1909 14.5202 0.000650575 -0.00264913 -0.00169301 35
10339 71 C 45.0275 27.9333 13.4526 0.0019739 -0.000928227 -0.0041503 35
10340 72 C 45.2271 27.3082 12.0697 9.22552e-05 0.00301638 -0.000945862 35
10341 73 C 45.511 25.7689 12.0243 -0.00261824 0.00176174 0.000577596 35
10342 74 C 46.3842 25.3878 10.8012 -0.00233496 -0.00324839 0.00294569 35
10343 75 C 45.9791 26.0558 9.419 -0.00305057 0.00182427 0.000307833 35
10344 76 C 46.4786 25.3739 8.1198 -0.00101451 -0.000987981 0.00479916 35
10345 77 C 46.1608 26.1573 6.84069 -0.00245853 -3.07981e-05 -0.00320851 35
10346 78 C 46.615 25.4475 5.53131 0.00163326 -0.00141412 -0.00143343 35
10347 79 C 46.506 26.4163 4.34347 0.00442205 0.0027922 0.00176881 35
10348 80 C 47.2079 25.8521 3.04212 0.00230993 -0.00122772 -0.00108421 35
10349 81 C 46.8451 26.676 1.78971 0.00401835 0.00155847 -0.00211584 35
10350 82 C 42.4113 32.4859 14.4149 0.00253494 -0.00271115 -0.000165945 35
10351 83 C 42.9382 31.2963 13.5945 -0.00162259 -0.00152452 0.00138163 35
10352 84 C 42.5791 31.2506 12.0616 -0.00131225 -0.00104319 0.00662025 35
10353 85 C 42.7458 32.558 11.2611 0.00278687 -0.000327176 -0.00118272 35
10354 86 C 42.4588 32.3599 9.76223 0.00197174 -0.00202232 -0.000679133 35
10355 87 C 42.791 33.5593 8.90887 -0.00363365 -0.00259143 0.00144411 35
10356 88 C 41.9044 34.0163 7.71809 0.00176424 -0.00111285 -0.000209092 35
10357 89 C 41.3149 32.8556 6.88459 0.00213643 -0.000843013 0.00186332 35
10358 90 C 42.3491 32.1402 6.03925 -0.00283615 -0.000279947 -0.0044897 35
10359 91 C 42.7549 32.8194 4.7233 -0.00508506 -0.00160843 -0.000719081 35
10360 92 C 41.6688 33.0289 3.68347 -0.00149069 -0.000484423 0.000879784 35
10361 93 C 42.255 32.9443 2.24675 0.000949537 0.00173856 0.00183334 35
10362 94 C 34.7916 30.8591 33.5625 0.00296106 -0.00493848 -0.00255111 35
10363 95 C 34.5964 30.6439 35.0853 0.000200567 0.00326092 0.00260803 35
10364 96 C 33.1084 30.6847 35.5183 -0.00192039 -0.00525423 0.0028422 35
10365 97 C 32.8083 30.3828 37.0219 -0.00128312 0.000687358 0.00084174 35
10366 98 C 33.719 31.1375 38.0072 -0.00357252 0.00273731 0.000703396 35
10367 99 C 33.229 31.0931 39.4518 -0.000456313 -0.000817527 0.00411082 35
10368 100 C 33.6198 29.8617 40.1907 0.00145662 -0.00311733 -0.00159099 35
10369 101 C 33.1072 29.7678 41.6079 -0.00175083 0.00317351 -0.00124673 35
10370 102 C 33.7921 30.7333 42.5862 0.000443081 0.000750054 -0.00130837 35
10371 103 C 33.3149 30.4194 44.0218 0.00109632 0.0018413 0.0022333 35
10372 104 C 34.2093 31.0849 45.0522 0.00474765 0.00355439 0.00470071 35
10373 105 C 33.8281 30.8374 46.5111 -0.00417588 -0.00122098 0.00136048 35
10374 106 C 40.8477 34.091 33.7244 0.00123714 -0.00109637 0.00120813 35
10375 107 C 40.9032 34.3435 35.2416 0.0035066 -0.000778463 -0.0019947 35
10376 108 C 41.5973 35.7131 35.5264 0.00552198 -0.00539478 0.000987409 35
10377 109 C 41.5294 36.1299 37.0064 -0.00157763 0.00312973 0.00455218 35
10378 110 C 42.3322 35.2011 37.9601 -0.00105553 -0.000510638 -0.00120931 35
10379 111 C 42.1822 35.4866 39.4553 -0.00126896 0.00235196 0.000969884 35
10380 112 C 40.7937 35.2651 40.02 -0.00136702 0.00201294 -0.000407335 35
10381 113 C 40.7249 34.5894 41.4123 -0.000846205 -0.00345806 0.00204305 35
10382 114 C 41.3383 35.3632 42.6012 0.000115768 -0.000134684 0.00054587 35
10383 115 C 40.8169 34.7702 43.9144 -0.00417758 -0.00550652 -0.00207941 35
10384 116 C 41.4058 35.4213 45.18 -0.0028732 -0.00315556 0.000674856 35
10385 117 C 40.8975 34.8605 46.491 0.0028335 0.00427553 0.000851184 35
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10387 119 C 40.2493 26.877 35.8381 0.00323815 -0.00150803 0.00141897 35
10388 120 C 41.3566 26.2533 36.7213 -0.00186167 -0.00187383 0.00119329 35
10389 121 C 41.1142 26.2992 38.2568 -0.00176767 -0.00166126 0.00371345 35
10390 122 C 42.3011 25.6625 39.0023 0.00106866 0.00470219 -0.00431705 35
10391 123 C 42.2549 25.843 40.5179 0.00542365 0.00340101 0.00233101 35
10392 124 C 41.1381 25.1366 41.3081 -0.0030295 -0.000380993 0.00342977 35
10393 125 C 41.3962 25.1082 42.8036 0.000299714 0.0013469 0.00139093 35
10394 126 C 41.5025 26.4818 43.5093 0.000272205 0.00179588 -0.00324256 35
10395 127 C 41.3802 26.4795 45.0651 -0.00207551 0.00122763 -0.000603304 35
10396 128 C 42.1995 25.3513 45.7241 -0.000959669 -0.000407221 -0.000892574 35
10397 129 C 42.2052 25.4674 47.2498 -0.00309286 0.00173837 -6.84329e-05 35
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10430 162 H 47.2872 29.8887 9.58658 0.00213646 0.00537816 0.000918828 35
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10447 179 H 43.3768 26.7032 14.0492 0.00121583 -0.0141477 0.00920456 35
10448 180 H 44.5657 28.9069 13.2469 0.00796524 0.00391753 0.00542271 35
10449 181 H 46.0013 28.0634 13.9406 -0.00705538 0.020288 0.00817558 35
10450 182 H 44.4015 27.6043 11.4108 -0.00351746 0.0110047 0.00715313 35
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10456 188 H 44.8845 26.0898 9.35523 -0.00244236 0.000783942 -0.0106677 35
10457 189 H 46.326 27.0966 9.42104 0.0164005 -0.0046215 -0.0212435 35
10458 190 H 47.5489 25.1455 8.1955 -0.00335038 -0.016263 -0.00800705 35
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10460 192 H 45.076 26.3186 6.81703 -0.00522743 -0.0177484 0.00262654 35
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10462 194 H 47.6737 25.1736 5.61827 0.00430404 0.011009 0.00547666 35
10463 195 H 45.9709 24.5805 5.33943 -0.0115996 0.00932497 -0.00570354 35
10464 196 H 45.4701 26.68 4.09689 0.00397849 0.0032558 0.0041492 35
10465 197 H 47.0603 27.3286 4.59623 0.00681051 0.00529518 -0.0124506 35
10466 198 H 48.2942 25.8672 3.19438 0.00239477 -0.00807647 -0.000974372 35
10467 199 H 46.9937 24.7862 2.89608 0.0127091 -0.00245309 -0.00747324 35
10468 200 H 47.3999 26.2595 0.939964 0.0015903 -0.00230041 -0.00180767 35
10469 201 H 45.7627 26.6125 1.62303 0.00542192 -0.0176463 -0.00402563 35
10470 202 H 47.1856 27.7088 1.93422 0.0101104 0.000224927 -0.00689603 35
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10472 204 H 42.1271 33.3327 13.778 0.00419194 -0.00449996 -0.00328027 35
10473 205 H 44.0349 31.2689 13.5914 -0.00154641 0.00216028 -0.0146208 35
10474 206 H 42.6488 30.3403 14.0479 -0.00259825 -0.00686206 -0.0104588 35
10475 207 H 43.2697 30.531 11.6048 0.000312643 0.00735383 -0.00415168 35
10476 208 H 41.5717 30.8244 11.9782 0.00621446 -0.015129 -0.0120182 35
10477 209 H 42.0533 33.3105 11.6582 0.00875025 0.00539081 -0.00162665 35
10478 210 H 43.7666 32.9275 11.4185 0.00656067 -0.00747549 -0.00886148 35
10479 211 H 43.0255 31.5 9.38432 0.000625235 0.000327112 -0.00804127 35
10480 212 H 41.3991 32.1104 9.62751 0.00169807 0.00365964 -0.00914104 35
10481 213 H 42.8913 34.4363 9.56016 0.0074296 0.00456328 -0.00985606 35
10482 214 H 43.7898 33.4513 8.46812 -0.00561626 -0.00459205 -0.00255006 35
10483 215 H 41.0852 34.6576 8.06579 -0.00591323 -0.0109769 -4.59353e-05 35
10484 216 H 42.621 34.5679 7.09708 0.00501925 0.00441732 0.00845272 35
10485 217 H 40.8121 32.1437 7.55081 -0.000322638 0.00605182 0.00738717 35
10486 218 H 40.4992 33.2171 6.24645 -0.00477944 -0.000951921 0.0106203 35
10487 219 H 43.2252 31.8739 6.64338 -1.6675e-05 0.00315377 -0.0070687 35
10488 220 H 41.8791 31.2047 5.71166 -0.01095 0.000425413 0.00518072 35
10489 221 H 43.1889 33.8057 4.92934 -0.00402626 0.000656364 -0.0137413 35
10490 222 H 43.5531 32.2116 4.27954 -0.00279181 0.0137408 -0.0176153 35
10491 223 H 40.9089 32.2469 3.8035 0.00987227 -0.0105376 0.00723629 35
10492 224 H 41.107 33.9363 3.93718 0.000565975 0.00159424 -0.0020526 35
10493 225 H 42.996 33.728 2.04647 0.00263394 -0.00271875 -0.0094724 35
10494 226 H 42.7581 32.0018 1.99775 -0.0133318 -0.00621681 0.00321844 35
10495 227 H 41.4371 33.1673 1.55055 -0.0132664 -0.0278062 0.00914789 35
10496 228 H 34.5289 31.9034 33.3533 0.000672852 -0.0036549 0.00667181 35
10497 229 H 34.0578 30.1835 33.106 -0.00194298 -0.00104837 -0.00044113 35
10498 230 H 34.9305 29.6369 35.3643 -0.00688681 -0.000149551 -0.00117774 35
10499 231 H 35.1545 31.4078 35.6405 0.0141662 0.0017227 -0.00931585 35
10500 232 H 32.6733 31.6687 35.3039 0.00701967 -0.00163938 0.00129989 35
10501 233 H 32.5135 29.9645 34.9432 -0.00591186 8.02983e-05 0.000300085 35
10502 234 H 31.7732 30.6102 37.3049 0.00377695 0.00837315 0.0133404 35
10503 235 H 32.9749 29.3186 37.2297 -0.0122523 -0.00189131 -0.00363494 35
10504 236 H 34.693 30.6518 37.8699 -0.00583345 0.00187428 -0.0125706 35
10505 237 H 33.7823 32.1791 37.6686 -0.00282557 0.000812725 -0.00510033 35
10506 238 H 33.6013 31.9589 40.0133 0.00424352 -0.00156649 0.00214807 35
10507 239 H 32.1327 31.1093 39.4157 -0.000297389 -0.00363048 -0.0021681 35
10508 240 H 33.2637 28.9957 39.6192 -0.0123181 -0.000107289 0.00246188 35
10509 241 H 34.712 29.7645 40.2236 0.000676868 -0.0122169 -0.00234121 35
10510 242 H 32.0255 29.9462 41.6473 -0.000329963 0.00945045 0.00963594 35
10511 243 H 33.2551 28.7392 41.9594 0.00640519 0.00961961 0.0141894 35
10512 244 H 34.8771 30.6445 42.4506 0.00160674 0.0148703 -0.00130608 35
10513 245 H 33.5419 31.7715 42.3352 -0.00496174 1.53935e-05 0.00104466 35
10514 246 H 32.2849 30.7741 44.1512 0.000234568 0.0021301 -0.00544034 35
10515 247 H 33.2918 29.3438 44.2362 0.00832431 0.000759233 -0.0024736 35
10516 248 H 35.2447 30.7859 44.8475 -0.00192702 -0.0111587 -0.00757594 35
10517 249 H 34.2279 32.1632 44.8514 0.00474871 0.0036842 0.00540133 35
10518 250 H 32.8419 31.2256 46.7943 0.00500822 0.00448098 0.0256068 35
10519 251 H 33.8167 29.7622 46.7281 0.000404351 -0.000655037 0.00443994 35
10520 252 H 34.5839 31.228 47.2036 0.00314463 -0.00568993 -0.00409889 35
10521 253 H 41.9053 34.1069 33.4333 -0.000948435 -0.00828286 -0.00705494 35
10522 254 H 40.3157 34.9442 33.2858 0.00866249 0.00324347 0.00063652 35
10523 255 H 39.9099 34.3943 35.7044 -0.00352915 -0.0109439 -0.0160413 35
10524 256 H 41.4571 33.5434 35.7481 0.0031702 -0.00279456 -0.00481751 35
10525 257 H 42.6457 35.752 35.2059 0.00955076 -0.00649023 0.014021 35
10526 258 H 41.101 36.4967 34.9407 -0.00768387 -0.00985237 0.00620838 35
10527 259 H 41.9167 37.1513 37.1079 -0.00703615 0.00508332 0.00579475 35
10528 260 H 40.4822 36.2134 37.3223 -0.00441492 0.0036738 -0.00500169 35
10529 261 H 42.0615 34.1559 37.7657 -0.00902243 0.00485541 -0.0190033 35
10530 262 H 43.3898 35.2371 37.6713 -0.00506354 -0.00796027 -0.0169324 35
10531 263 H 42.8765 34.8519 40.0198 -0.00560745 -0.00208875 0.00131626 35
10532 264 H 42.4288 36.5286 39.6935 0.00154422 -0.000962013 0.0126572 35
10533 265 H 40.2349 36.209 40.0068 0.00193086 0.00393678 -0.00228312 35
10534 266 H 40.2661 34.6108 39.3151 0.00540368 -0.00030911 -0.00332809 35
10535 267 H 39.6434 34.4883 41.5658 -0.00083567 -0.00623083 0.000313635 35
10536 268 H 41.1054 33.5621 41.3544 0.001358 -0.00264368 0.00213819 35
10537 269 H 42.4341 35.3331 42.5585 0.000688297 0.00971981 0.00848453 35
10538 270 H 40.957 36.3916 42.618 0.00473077 0.00157999 -0.000411556 35
10539 271 H 39.723 34.8393 43.8702 -0.00482048 0.00203 0.02732 35
10540 272 H 41.0637 33.7028 43.8591 -0.00987403 -0.00726772 0.00686606 35
10541 273 H 42.5025 35.4002 45.1894 -0.00288295 -0.00359958 0.000826328 35
10542 274 H 41.0998 36.4747 45.1859 -0.00317244 -0.00329452 0.0103947 35
10543 275 H 39.8024 34.8002 46.5119 0.00326053 -0.00287119 0.00320262 35
10544 276 H 41.247 33.838 46.6799 -0.0139509 -0.000608437 0.00560304 35
10545 277 H 41.262 35.4994 47.3048 0.00506349 -0.00293041 0.00550932 35
10546 278 H 40.1869 25.8751 33.99 0.00935559 0.000716329 -0.00894618 35
10547 279 H 41.7189 26.764 34.2471 0.000559199 0.00941044 -0.00939762 35
10548 280 H 39.2949 26.3662 36.0158 0.00364309 -0.00641036 -0.0105189 35
10549 281 H 40.1178 27.9058 36.1954 -0.00437722 -0.00558168 0.0103688 35
10550 282 H 42.255 26.8573 36.5441 -0.00457852 0.00198672 0.00055729 35
10551 283 H 41.5673 25.2237 36.4065 0.00829473 -0.00260051 0.0103502 35
10552 284 H 40.1778 25.8283 38.5804 -0.00713628 0.00667958 0.000308655 35
10553 285 H 41.0857 27.3409 38.5995 0.0145995 0.00295356 -0.00894086 35
10554 286 H 43.2757 26.0352 38.6636 0.00853652 0.000311905 0.0122339 35
10555 287 H 42.3049 24.5963 38.7441 -0.00731368 0.00263411 0.00410466 35
10556 288 H 42.2326 26.9078 40.7809 -0.0110223 0.00421181 -0.00238424 35
10557 289 H 43.2044 25.4439 40.8958 0.00107383 -0.00401778 0.00543312 35
10558 290 H 41.0332 24.0905 40.995 -0.0184035 0.00256077 -0.00123357 35
10559 291 H 40.1829 25.6498 41.1418 0.000932681 0.0038652 -0.0061986 35
10560 292 H 42.3114 24.5341 42.9942 0.00138402 0.00361423 0.0030225 35
10561 293 H 40.5409 24.5944 43.2594 0.00661066 -0.0079337 0.00274183 35
10562 294 H 40.7222 27.1295 43.0909 -0.00129018 0.00306689 0.0016535 35
10563 295 H 42.4383 26.9674 43.2064 -0.00372248 0.00973897 -0.0028948 35
10564 296 H 40.3185 26.4298 45.337 0.001177 0.0111355 0.0139298 35
10565 297 H 41.7085 27.4447 45.47 -0.000505904 -0.00125626 0.00404566 35
10566 298 H 43.2317 25.3948 45.3553 -0.00328081 0.0110327 -0.00603754 35
10567 299 H 41.8362 24.3542 45.4462 -0.00342606 -0.00226734 0.00900124 35
10568 300 H 42.6771 24.5998 47.7272 -0.0225061 -0.00253645 0.0113464 35
10569 301 H 41.1879 25.5662 47.6484 -0.00431864 0.0197434 -0.00765989 35
10570 302 H 42.8033 26.3147 47.6074 0.000945895 -0.00128457 0.000361735 35
10571 1 C 44.8942 40.5072 31.5224 -0.00270083 -0.00115285 -0.000935931 36
10572 2 C 45.2355 40.4376 30.146 0.00209779 -0.00450036 -0.00343858 36
10573 3 C 44.7922 39.4047 29.3521 -0.00216522 0.000671114 0.00367356 36
10574 4 C 44.0308 38.3527 29.9084 -0.00279033 -0.00265968 0.00339807 36
10575 5 C 43.7307 38.3692 31.3029 0.00331987 -0.00145541 -0.000537449 36
10576 6 C 44.0909 39.4849 32.0957 0.00324355 0.00134948 0.00293666 36
10577 7 C 39.3018 37.3039 30.2383 0.00198704 0.00339931 0.00041451 36
10578 8 C 39.5822 37.2792 28.8681 0.00202263 0.000546432 -0.00331895 36
10579 9 C 40.9097 37.2396 28.4452 -0.00200093 -0.00205758 0.0026961 36
10580 10 C 41.9206 37.2052 29.4459 0.000724032 -0.000645705 0.00358048 36
10581 11 C 41.667 37.1985 30.8544 0.00233237 -0.00237838 -0.00083343 36
10582 12 C 40.3166 37.2635 31.2494 -0.00172781 0.00634936 -0.00601931 36
10583 13 C 45.0171 33.8198 31.3724 0.00140506 0.00158238 0.00302463 36
10584 14 C 45.1683 33.849 29.9762 -0.000250049 -0.00091502 -0.00245031 36
10585 15 C 44.6954 34.9223 29.2495 -0.00155827 -0.002843 0.00187845 36
10586 16 C 43.9941 35.9437 29.9033 0.00278878 -0.00164405 -0.00203638 36
10587 17 C 43.4123 37.1697 29.1733 0.00200586 2.22404e-05 -0.00333974 36
10588 18 O 44.2438 34.7842 33.4282 -0.00160376 4.90925e-05 -0.000682244 36
10589 19 O 39.999 37.2613 32.6146 -0.000218219 0.00105179 -0.00151111 36
10590 20 O 43.6806 39.5734 33.4093 0.00379708 -0.00172808 0.000333973 36
10591 21 C 44.3373 34.8451 32.0598 0.00357809 0.00259125 0.00378259 36
10592 22 C 43.7542 37.188 27.7638 0.00114417 3.99741e-05 0.00140155 36
10593 23 C 44.2562 37.1412 26.6602 0.0060758 -0.000444872 -0.000549195 36
10594 24 C 45.0081 37.1597 25.4509 -0.00302926 -0.00084548 -0.00246076 36
10595 25 C 44.6752 38.0415 24.4157 0.00258289 -0.0013146 -0.00375591 36
10596 26 C 45.4889 38.1458 23.3031 -0.00315695 -0.00126026 -0.000140285 36
10597 27 C 46.6274 37.337 23.1983 -0.00326734 -0.00103466 -0.00176184 36
10598 28 C 46.9323 36.4018 24.1828 0.00113993 -0.0014123 -0.00272959 36
10599 29 C 46.1432 36.319 25.3128 0.00191114 -0.000980327 0.00107345 36
10600 30 C 47.482 37.383 22.0439 -0.00119154 0.00360417 0.00116569 36
10601 31 C 47.9931 37.4357 20.9529 -6.28149e-05 0.00324051 -0.00346896 36
10602 32 C 46.1937 34.3806 18.5329 0.000195455 0.0028865 0.00192351 36
10603 33 C 46.3668 34.3236 17.152 -0.00521944 0.00122189 -0.00260736 36
10604 34 C 47.2341 35.296 16.5999 0.00109541 -0.00281394 0.000515413 36
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10665 95 C 38.4838 37.2219 34.5904 0.000861775 0.000878282 0.000953482 36
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10675 105 C 37.6837 37.5166 45.7559 0.00482625 0.000894659 0.000102254 36
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10699 129 C 45.8203 33.7451 47.4892 0.00293078 -0.000104898 -0.00109516 36
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10795 225 H 50.4373 40.8178 1.06538 0.00755518 0.00523064 0.00650821 36
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10810 240 H 37.2759 39.0447 39.4585 -0.0104088 0.00615665 0.0157403 36
10811 241 H 35.977 37.8251 39.5303 -0.0081289 0.0161758 0.0123716 36
10812 242 H 36.7087 38.7742 41.6841 0.00203553 -0.00380663 0.0047814 36
10813 243 H 36.404 37.0419 41.5655 -0.00438637 0.00681598 0.00616485 36
10814 244 H 38.7486 36.5461 41.7845 0.00774132 0.00408585 0.00618899 36
10815 245 H 39.2261 38.2296 41.3808 -0.00488897 -0.00185991 -0.00836915 36
10816 246 H 39.5181 37.7104 43.8253 -0.000979499 -0.00682089 0.001987 36
10817 247 H 38.3737 39.059 43.4566 -0.000139112 -0.00194207 -0.00151289 36
10818 248 H 36.5367 37.7692 43.8889 0.000849431 0.00390817 -0.00718464 36
10819 249 H 37.4347 36.2507 43.9693 -0.00272632 0.00182002 -0.00309102 36
10820 250 H 38.6744 37.1486 46.05 0.00468627 -0.00454501 -0.00620094 36
10821 251 H 37.5541 38.5667 46.0456 0.00147678 0.00106658 -0.0020031 36
10822 252 H 36.9033 36.9591 46.2884 0.0164603 -0.00680726 0.00904877 36
10823 253 H 43.5717 41.6727 33.3141 0.00123147 0.00451873 0.00656514 36
10824 254 H 42.7173 40.9388 34.6916 -0.00173187 -0.00656852 -0.00186302 36
10825 255 H 45.1926 40.0932 35.3723 0.00912086 0.00312111 -0.00469147 36
10826 256 H 45.6983 41.5318 34.4418 -0.00906958 0.0130321 -0.00613654 36
10827 257 H 44.305 42.9076 35.9595 0.00883595 -0.00111165 -0.00383087 36
10828 258 H 43.5367 41.4384 36.6138 0.00688667 -0.00493815 0.00511068 36
10829 259 H 45.9778 40.729 37.3692 0.00243747 0.00105987 -0.00308456 36
10830 260 H 46.192 42.4852 37.3284 5.55345e-05 0.0101191 0.00622297 36
10831 261 H 44.0559 42.6572 38.7535 0.00518105 0.0035295 -0.000830525 36
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12449 67 C 20.6871 7.24437 49.9379 0.00196992 0.00350872 0.00286645 42
12450 68 C 20.7174 8.29346 48.8332 0.00151188 0.00441362 0.00237787 42
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12456 74 C 16.7178 5.6945 58.323 -0.00395912 -0.000771544 0.00379673 42
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12459 77 C 17.1263 5.82042 54.4378 -0.0038872 0.00176466 0.00266982 42
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12467 85 C 21.4693 13.3566 59.7281 -0.00263177 0.00395075 0.00489127 42
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12470 88 C 20.6385 11.9368 56.1355 -0.00144167 -0.000527342 0.00682737 42
12471 89 C 21.0426 12.5 54.7159 -0.000861063 0.00265584 -0.000209419 42
12472 90 C 20.3853 11.7875 53.5665 -0.000474514 0.00327365 0.000658636 42
12473 91 C 20.9863 12.275 52.2067 0.00690111 -0.000397551 -0.00304191 42
12474 92 C 20.2773 11.6673 50.9933 -0.00175811 0.000726477 -0.000164725 42
12475 93 C 20.8762 12.0849 49.6546 -0.00151115 -0.00190171 0.00135815 42
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12481 99 C 16.5532 12.5801 89.0492 0.00259385 0.000394155 3.2527e-05 42
12482 100 C 17.4406 12.5742 90.3308 0.000468537 -0.00333638 -0.000592784 42
12483 101 C 16.6043 12.3565 91.6273 -0.00171381 -0.00229231 -0.00457472 42
12484 102 C 17.4695 12.5849 92.8837 0.000336116 0.00252641 -0.000351862 42
12485 103 C 16.7003 12.2386 94.1475 0.00308693 -0.000869368 -0.0015064 42
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12487 105 C 16.6495 12.3683 96.7293 0.00230752 0.00128341 0.00254617 42
12488 106 C 23.693 16.1486 82.5955 -0.000560529 8.02533e-05 -0.00201535 42
12489 107 C 24.0711 16.1945 84.091 -0.00379526 -0.000689713 -0.000458102 42
12490 108 C 24.6547 17.5007 84.6865 -0.00045131 -0.00254327 -0.00373931 42
12491 109 C 25.0465 17.4117 86.2036 0.00222672 0.00044355 -0.00109064 42
12492 110 C 23.9168 16.8574 87.1337 -0.00237801 0.000305438 -0.00543811 42
12493 111 C 24.1196 17.2062 88.6375 0.00175674 0.00500178 0.00106145 42
12494 112 C 25.3467 16.6371 89.2734 -0.00347194 -0.00184605 -0.00481433 42
12495 113 C 25.4866 17.0598 90.7479 -0.000707661 0.00223156 -0.000532215 42
12496 114 C 24.4516 16.5735 91.7831 0.00387277 0.00457081 0.00181151 42
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12499 117 C 24.8232 16.57 95.8112 -0.0011688 0.00522823 -0.000292809 42
12500 118 C 24.2274 9.33528 83.4691 0.000729291 0.000679371 0.00194564 42
12501 119 C 23.9126 7.87912 83.8432 0.00486222 -0.00122782 -0.000808555 42
12502 120 C 24.7311 7.33346 85.012 -0.00156912 -0.000221269 -0.00160487 42
12503 121 C 24.1832 7.80334 86.3659 -0.00368083 0.00172214 -0.00239459 42
12504 122 C 24.963 7.2817 87.5244 0.00149074 0.000761136 -0.00134141 42
12505 123 C 24.4007 7.81742 88.8511 0.00121793 -0.00195503 -0.00123931 42
12506 124 C 25.4167 7.57388 89.9919 0.00382927 -0.00105265 3.39784e-05 42
12507 125 C 24.9354 8.21342 91.318 -0.00297229 -0.000156889 0.00465598 42
12508 126 C 25.7684 7.78705 92.5236 0.00328628 0.00193103 0.00201703 42
12509 127 C 25.0804 8.38111 93.7438 0.00128242 -0.000946088 -0.00180819 42
12510 128 C 25.9249 8.09019 95.0203 -0.00221752 0.00217822 0.000301662 42
12511 129 C 25.3167 8.80164 96.2366 -0.000334935 0.00162378 0.00256515 42
12512 130 F 24.0232 10.8363 73.8059 0.00416722 0.00116855 0.00121414 42
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12527 145 H 24.8846 8.96831 67.1743 0.00174702 -0.012874 0.00712234 42
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12530 148 H 17.8134 13.1766 67.6216 0.0073723 0.00200816 0.00140547 42
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12558 176 H 21.4513 9.0879 49.0168 0.00156858 0.00128003 0.015679 42
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12564 182 H 16.4148 5.00458 61.0276 0.00260941 -0.000728402 0.00885322 42
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12619 237 H 17.9345 13.544 87.6673 0.00573435 0.00263463 0.0161967 42
12620 238 H 15.8369 13.4105 89.0776 0.00152024 -0.000848478 0.00918515 42
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12622 240 H 18.2442 11.8294 90.2783 0.00521736 0.00146303 0.00395356 42
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12624 242 H 15.7165 13.0007 91.6421 0.00764712 0.0103582 0.00468807 42
12625 243 H 16.2437 11.3206 91.6152 0.00846557 -0.00592854 0.00367828 42
12626 244 H 18.4345 12.07 92.7994 -0.00749557 -0.0120786 -0.000283973 42
12627 245 H 17.7455 13.6427 92.9755 0.0219972 -0.00405945 0.0106493 42
12628 246 H 15.803 12.8641 94.2318 0.00524392 0.00144898 0.0044074 42
12629 247 H 16.3351 11.2042 94.1459 0.0040323 -0.00122942 0.00673461 42
12630 248 H 18.4195 11.8928 95.5536 0.000199048 0.00638915 0.00728708 42
12631 249 H 17.8263 13.5526 95.4257 -0.00604152 0.000772221 0.0140371 42
12632 250 H 17.2316 12.5104 97.6482 0.000382398 -0.000553593 0.00404997 42
12633 251 H 15.8388 13.1071 96.7466 -0.00358822 -0.00478088 -0.0148376 42
12634 252 H 16.1363 11.3988 96.7361 0.0104731 -0.0029578 0.0116539 42
12635 253 H 24.5353 16.636 82.0892 0.0044126 4.41322e-05 0.00624305 42
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12988 2 C 31.8815 15.2025 78.5341 0.000174894 0.00196989 0.00588564 44
12989 3 C 31.3258 14.0995 77.8478 -0.00193917 -0.00635607 0.00147732 44
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12991 5 C 30.6563 13.1399 80.0147 -0.0012865 0.00171999 0.00191756 44
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12993 7 C 26.0753 12.0891 79.7505 0.000647675 0.00110775 0.000376662 44
12994 8 C 26.1435 12.0541 78.3394 0.00215813 -0.00186854 -0.00259603 44
12995 9 C 27.3752 12.0499 77.6913 -0.000422627 0.00372326 0.00128178 44
12996 10 C 28.5539 11.9921 78.4618 -0.00117912 -0.0023275 0.00221828 44
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12998 12 C 27.2533 12.1004 80.5212 -0.00104148 0.000266967 0.00156627 44
12999 13 C 31.664 8.56092 80.1803 0.00462675 0.00223988 0.00239909 44
13000 14 C 31.7635 8.55049 78.7925 -0.0012829 7.92783e-05 0.00248361 44
13001 15 C 31.1995 9.57694 78.0266 -0.000962071 0.00166938 -0.00137209 44
13002 16 C 30.5715 10.6313 78.6661 -0.00394448 -0.00241888 -0.00322537 44
13003 17 C 30.0131 11.885 77.9585 -0.00293414 0.00146185 0.000583426 44
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13008 22 C 30.0231 11.8054 76.4997 -0.00142891 -0.00575926 0.000222698 44
13009 23 C 29.9318 11.6498 75.3013 0.00199159 -0.00483357 -0.00101355 44
13010 24 C 29.7657 11.2558 73.9359 -0.00062034 0.000343142 -0.00256485 44
13011 25 C 30.6866 10.4097 73.27 -0.00226537 0.00446715 -0.00401434 44
13012 26 C 30.2714 9.7241 72.1192 -0.00423689 0.000254118 -0.00105933 44
13013 27 C 28.977 9.9043 71.6276 -0.00188027 -0.00258827 -0.00247732 44
13014 28 C 28.0842 10.7913 72.2634 -0.000686183 0.000348465 -0.00137209 44
13015 29 C 28.4965 11.4418 73.4022 -0.000975509 0.00618435 0.00168641 44
13016 30 C 28.5377 9.40563 70.3521 0.00289958 -0.0020461 -0.00195155 44
13017 31 C 28.1964 9.04035 69.2478 -0.00131613 -0.0013305 -0.00160013 44
13018 32 C 25.9757 5.61073 67.5924 -0.00262573 -0.00235024 -0.0012444 44
13019 33 C 25.8776 5.4994 66.1919 0.000891223 -0.000934234 0.00512358 44
13020 34 C 26.3648 6.53104 65.3815 0.00128754 -0.00354189 -0.00198969 44
13021 35 C 26.9878 7.66297 65.9484 0.00232975 -0.00177494 -0.00269677 44
13022 36 C 27.1206 7.73745 67.3591 0.000977635 -0.000221777 -0.00069789 44
13023 37 C 26.6195 6.73354 68.1617 -0.00214805 -0.00199426 -0.00443918 44
13024 38 C 27.9331 8.92418 67.8219 0.000639994 -0.00239576 0.00126774 44
13025 39 C 31.6535 8.96247 66.6723 -0.0014721 -0.00573876 -0.00412214 44
13026 40 C 31.5102 8.78695 65.2828 -0.000836962 0.00215086 0.000206694 44
13027 41 C 30.2105 8.69214 64.7752 -7.43337e-05 -1.99934e-05 0.0015427 44
13028 42 C 29.106 8.76441 65.6368 -0.00693984 0.00156094 -0.0028112 44
13029 43 C 29.2477 8.83322 67.0309 -0.00096973 0.00392766 0.00015615 44
13030 44 C 30.5547 8.96233 67.5241 -0.00340229 0.00146502 -0.00311672 44
13031 45 C 26.0329 12.2618 67.302 -0.000319278 0.0053618 0.00199043 44
13032 46 C 26.1327 12.3143 65.8983 0.00278671 -0.00295668 0.00215376 44
13033 47 C 26.703 11.2944 65.1356 -0.00135262 -0.00173314 0.00142349 44
13034 48 C 27.1495 10.1439 65.8117 -0.00286287 -0.00272079 -5.84888e-05 44
13035 49 C 27.6812 8.82874 65.1792 0.00102652 0.000108438 0.00409478 44
13036 50 C 27.1857 10.1396 67.2114 -0.0013398 0.00291444 0.000707029 44
13037 51 C 26.5537 11.1798 67.9456 0.00358786 0.00275659 -0.00439968 44
13038 52 O 30.0758 8.6562 63.4115 -0.0033577 -0.00236107 -0.00205908 44
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13041 55 C 29.8502 11.9475 80.6556 0.00216214 0.000398864 0.000463047 44
13042 56 C 30.4992 10.6449 80.1073 -0.00173678 -0.0037562 0.00224309 44
13043 57 C 29.618 7.43434 62.8487 -0.00367215 0.00272661 -0.00481671 44
13044 58 C 29.8738 7.4232 61.3285 -0.00153404 -0.000275063 0.000945682 44
13045 59 C 28.9684 8.32253 60.4573 0.00236832 0.00590394 0.00318784 44
13046 60 C 29.1155 7.86206 59.0166 0.00164816 0.00316522 -0.000732629 44
13047 61 C 28.3946 8.70695 57.9488 0.00233612 -0.00317258 -0.00174371 44
13048 62 C 28.5542 7.96858 56.6036 -0.00197613 0.00243929 0.00263126 44
13049 63 C 28.3217 8.77261 55.3079 -0.00461325 7.33005e-05 0.000731228 44
13050 64 C 28.384 7.79023 54.1125 -0.00391301 -0.000173627 0.00140689 44
13051 65 C 28.1736 8.4015 52.7549 0.00141337 0.00210824 -0.000680558 44
13052 66 C 28.0427 7.38023 51.5989 -0.00154419 -0.000849986 0.00284402 44
13053 67 C 27.74 7.98375 50.2361 -0.00195543 0.00334169 0.0035501 44
13054 68 C 28.968 8.59838 49.5842 0.00227423 -0.00317849 -0.00381836 44
13055 69 F 31.135 8.90522 71.4448 -0.00100934 -0.0022034 -0.00205485 44
13056 70 C 25.6263 6.91896 63.1325 -0.000203625 -0.0028464 -0.00106306 44
13057 71 C 25.64 6.24512 61.7519 -0.00146715 0.00101833 0.00085578 44
13058 72 C 24.9977 7.18578 60.7397 0.00424494 -0.00138236 -2.78699e-05 44
13059 73 C 24.5844 6.53333 59.3898 8.2486e-05 0.000689169 0.00310563 44
13060 74 C 25.7251 6.10627 58.5123 -0.00505622 0.000534916 8.26375e-05 44
13061 75 C 25.324 5.32823 57.256 0.00379296 0.00255501 0.000329467 44
13062 76 C 24.8792 6.11781 56.0118 0.000289901 -0.00483414 -0.00023539 44
13063 77 C 24.6387 5.145 54.8255 0.00170626 -0.00056356 0.000169055 44
13064 78 C 24.4917 5.90117 53.4843 0.00301194 0.00011209 -0.00135664 44
13065 79 C 24.375 4.941 52.264 0.00304737 0.000859245 -0.00307013 44
13066 80 C 24.5145 5.63712 50.9091 -0.00154434 -0.00316372 0.00204067 44
13067 81 C 24.7439 4.66444 49.7288 0.00236071 0.00307464 -0.00329583 44
13068 82 C 28.197 11.6094 63.3626 0.00481598 0.00455984 0.00135521 44
13069 83 C 28.2917 11.6258 61.8381 -0.000777994 0.00397109 -0.00102106 44
13070 84 C 28.0081 13.0392 61.3326 0.000891894 0.00103535 -0.003176 44
13071 85 C 28.5665 13.3668 59.9453 0.0029952 -0.000731153 -0.0019259 44
13072 86 C 27.9021 12.5908 58.7708 0.000155634 -0.00237569 0.00265551 44
13073 87 C 28.4326 13.1802 57.4317 0.000340031 0.000221247 -0.00289539 44
13074 88 C 27.7932 12.6983 56.0909 5.19521e-05 0.00124039 -0.00161714 44
13075 89 C 28.624 13.2723 54.9203 -0.00427164 0.000470448 0.000123081 44
13076 90 C 27.9596 13.2174 53.5195 -0.000257808 -0.00198207 0.00102826 44
13077 91 C 28.0107 11.8117 52.9357 0.00555563 0.00297263 -0.000288738 44
13078 92 C 27.6044 11.6855 51.4281 0.00267042 -0.00614822 0.00203667 44
13079 93 C 28.5732 12.4363 50.4949 0.00212992 -0.00124244 0.00184227 44
13080 94 C 25.8738 12.4855 82.5174 -0.00119501 -9.4841e-05 0.0045661 44
13081 95 C 25.9098 12.3154 84.0516 -0.00156128 0.00184814 0.00104255 44
13082 96 C 24.5525 12.5051 84.7726 -0.00349874 0.000230965 -0.00365293 44
13083 97 C 24.5126 11.8285 86.1724 -0.00162842 0.00134438 -0.00257961 44
13084 98 C 24.8355 12.6836 87.37 0.000986093 0.000179177 -0.00132753 44
13085 99 C 24.3942 11.9738 88.6483 -0.00158326 -0.00108559 0.00383334 44
13086 100 C 24.5912 12.7339 89.968 -0.000621414 0.000662742 0.00114714 44
13087 101 C 26.0847 12.8499 90.4007 -0.0027556 -0.00430839 0.00047819 44
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13224 238 H 23.3251 11.7337 88.5958 -0.00316446 0.0060634 0.0032451 44
13225 239 H 24.9943 11.056 88.6757 0.0115193 0.00729946 -0.000798442 44
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13230 244 H 27.4184 13.3498 91.9843 -0.00465629 0.00301886 0.0137147 44
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13232 246 H 24.8296 11.8809 92.9315 -0.00201751 0.00360798 0.0010193 44
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13237 251 H 25.8434 14.2544 94.7224 -0.00280467 0.00069887 0.0046062 44
13238 252 H 24.6327 12.9463 95.1532 -0.00192058 0.00524772 -0.00721918 44
13239 253 H 32.01 14.3835 83.9446 -0.00707491 -0.0050844 -0.00258751 44
13240 254 H 33.1575 14.7433 82.6466 -0.000198035 -0.0023034 0.00146508 44
13241 255 H 32.549 16.9721 82.331 0.000188489 -0.00724471 -0.00135194 44
13242 256 H 30.9797 16.7313 83.0314 -0.00440496 -0.00693156 0.00330735 44
13243 257 H 33.6519 17.165 84.4725 -0.00107557 0.00978595 -0.0177264 44
13244 258 H 32.1408 18.0159 84.6007 0.0103065 -0.000685697 -0.00243918 44
13245 259 H 31.0927 16.0966 85.8144 0.00190609 -0.00533584 -0.00986239 44
13246 260 H 32.6319 15.1878 85.6773 -0.00429397 -0.00292939 -0.00486428 44
13247 261 H 32.4888 17.8826 86.9849 0.000663851 0.00142421 -0.00449702 44
13248 262 H 31.9598 16.3664 87.8307 0.00267579 -0.0156616 -0.0110691 44
13249 263 H 34.2389 15.423 87.4342 -0.0103387 -0.00156005 0.0178546 44
13250 264 H 34.7936 16.9381 86.6815 -0.00414262 0.00016437 -0.00483059 44
13251 265 H 35.4794 16.9059 89.1543 0.0063425 0.00341575 -0.0197002 44
13252 266 H 34.3079 18.17 88.7482 -0.0102915 -0.00227705 -0.00881621 44
13253 267 H 32.5849 17.0069 89.9358 0.000926853 0.010578 0.018091 44
13254 268 H 33.3973 15.525 90.0997 0.00455586 0.000176647 0.0109343 44
13255 269 H 35.2346 16.595 91.3875 -0.00229496 -0.00523423 0.00447314 44
13256 270 H 34.4162 18.1333 91.3522 -0.00122002 -0.000547439 0.00273689 44
13257 271 H 32.4547 17.3313 92.5156 -0.00016457 -0.00749966 -0.00767554 44
13258 272 H 33.0887 15.6949 92.5251 -0.0210914 0.00525934 0.00238874 44
13259 273 H 34.907 16.2016 93.917 0.000840841 0.00149988 -0.00125482 44
13260 274 H 34.7265 17.9376 93.933 0.0148912 -0.00736095 -0.00244052 44
13261 275 H 34.0147 16.7956 96.1003 -0.00608639 -0.00901019 3.31614e-05 44
13262 276 H 32.6268 17.6415 95.3103 0.00464438 0.00238723 0.00566516 44
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13264 278 H 31.6266 7.59614 82.5975 0.00813445 -0.00788683 0.00959125 44
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13267 281 H 30.8395 9.48705 84.8119 0.00253294 0.00309797 0.00384256 44
13268 282 H 32.8818 8.64173 85.7902 -0.010812 0.00774159 0.000253177 44
13269 283 H 32.7698 7.10497 84.8986 0.00173119 -0.00142972 0.0079905 44
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13271 285 H 30.6092 7.47116 86.881 0.0079523 0.0215488 0.0166066 44
13272 286 H 33.5142 6.64875 87.5811 2.94705e-05 -0.00685819 0.00695092 44
13273 287 H 32.149 6.17391 88.5 0.010696 -0.00113712 0.00154041 44
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13275 289 H 33.6201 8.62611 88.7792 -0.00435118 0.00374472 0.00850582 44
13276 290 H 30.817 7.98397 89.8622 -0.00844198 0.0197058 0.00604704 44
13277 291 H 31.7898 9.36059 90.3666 0.00109386 -0.00589505 0.00555128 44
13278 292 H 33.6339 7.64955 90.9968 -0.00369301 -0.00756696 -0.0032749 44
13279 293 H 32.3962 6.4535 90.8646 -0.0113835 0.00228234 0.00226142 44
13280 294 H 30.9764 7.9505 92.5048 4.56744e-05 -0.011039 -0.00587165 44
13281 295 H 32.3804 9.00971 92.6183 -0.00597648 0.00721215 -0.00680305 44
13282 296 H 33.8237 6.97634 93.3257 0.000154759 -0.00290445 0.00101569 44
13283 297 H 32.2919 6.16828 93.5405 0.00270558 -0.00405613 0.0101354 44
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13285 299 H 33.0554 8.76613 95.0094 0.0023367 0.000220586 0.00635938 44
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13289 1 C 35.5545 8.55187 79.744 0.00146361 -0.0031849 0.00148035 45
13290 2 C 35.5773 8.50952 78.3371 0.00232195 -0.00461929 -0.00217631 45
13291 3 C 35.0387 7.41872 77.6875 0.000510697 0.000588125 -0.00303333 45
13292 4 C 34.4884 6.35437 78.4135 -0.00191015 -0.00339323 0.00254152 45
13293 5 C 34.4357 6.43047 79.818 0.000618988 -0.00191501 0.0023419 45
13294 6 C 34.8996 7.57007 80.4927 0.00225775 0.000268504 0.000491502 45
13295 7 C 29.9365 5.24931 79.4945 -0.00331794 -0.000849803 -0.00357357 45
13296 8 C 30.0385 5.18932 78.0578 0.00598812 0.00283565 -0.000970551 45
13297 9 C 31.2773 5.17808 77.4846 -0.000220428 -0.000556538 0.000859694 45
13298 10 C 32.4347 5.14081 78.2833 -0.00341259 0.00496688 0.00306532 45
13299 11 C 32.3286 5.19125 79.6928 -0.00122108 0.000758426 -0.00411673 45
13300 12 C 31.0735 5.22499 80.3333 -0.00279699 0.00172726 -0.000613719 45
13301 13 C 35.5482 1.83644 79.9854 -0.00103394 -0.00250788 0.00251529 45
13302 14 C 35.6955 1.84035 78.5983 -0.00103212 0.000745464 -0.00217445 45
13303 15 C 35.115 2.85547 77.8241 -0.000963105 -0.000382257 -0.00272442 45
13304 16 C 34.4858 3.91133 78.5189 0.00117263 -0.000675779 0.00266495 45
13305 17 C 33.8836 5.11392 77.7605 -0.00591834 -0.000358692 -0.00227004 45
13306 18 O 34.996 2.85818 82.0804 0.00191225 -0.000325724 0.00294613 45
13307 19 O 31.0168 5.3215 81.7395 0.00327751 0.00308847 0.000319576 45
13308 20 O 34.6983 7.75201 81.8578 -0.00133322 0.00222826 0.0033437 45
13309 21 C 34.9637 2.90114 80.6898 -0.00024142 -0.00599454 -0.000596657 45
13310 22 C 33.9473 4.94227 76.323 -0.00204339 0.0021346 0.000908321 45
13311 23 C 33.7553 4.65388 75.1472 0.00167233 -0.00400217 0.000339352 45
13312 24 C 33.4148 4.25822 73.8232 0.00384502 -0.00425062 -0.00217004 45
13313 25 C 32.4262 4.95386 73.11 0.00101691 -0.00152943 0.00428864 45
13314 26 C 31.9438 4.3948 71.9089 0.000631439 -0.00368619 0.00181042 45
13315 27 C 32.4917 3.19982 71.4273 0.000230215 -0.00607995 0.00271021 45
13316 28 C 33.4516 2.48697 72.1406 0.00132145 0.0015904 -0.00160404 45
13317 29 C 33.9141 3.02388 73.3728 9.45388e-05 -0.000384905 0.00442976 45
13318 30 C 32.1078 2.67961 70.1098 6.68503e-05 0.000333611 -0.00621847 45
13319 31 C 31.8671 2.37406 68.9574 0.00151458 -0.0043608 0.000692737 45
13320 32 C 29.903 -1.23877 67.0772 -0.000189037 0.00442681 -0.000606667 45
13321 33 C 29.9791 -1.28995 65.6883 4.31958e-05 -0.0039944 -0.00155427 45
13322 34 C 30.5796 -0.312859 64.9151 0.00148516 0.000655902 0.00100776 45
13323 35 C 31.0724 0.826853 65.5885 0.000937932 0.0052768 0.000818327 45
13324 36 C 31.0711 0.884376 66.9955 -0.00265056 -0.00304472 -0.000432661 45
13325 37 C 30.5218 -0.164192 67.7495 -1.02816e-05 -0.000754977 -0.00190118 45
13326 38 C 31.735 2.16835 67.5283 0.00215082 -0.00266746 -0.000998875 45
13327 39 C 35.5689 2.3915 66.7214 7.46935e-05 0.00257306 -0.000125017 45
13328 40 C 35.4891 2.22252 65.3432 -0.00468088 -0.00618717 -0.000747021 45
13329 41 C 34.2827 2.12553 64.6668 0.00211721 -0.000863853 -0.00226113 45
13330 42 C 33.0919 2.18258 65.4266 0.00168268 0.000255942 -0.00054132 45
13331 43 C 33.1086 2.2509 66.8439 0.00163916 0.000434684 -0.000165442 45
13332 44 C 34.3637 2.39942 67.4723 -0.00396501 0.00250645 0.00200599 45
13333 45 C 29.4752 5.21885 66.7635 -0.00482684 0.00170108 -0.000588447 45
13334 46 C 29.481 5.16091 65.351 -0.00409371 -0.00184787 0.00260019 45
13335 47 C 30.2016 4.16299 64.6778 -0.00241137 0.000140215 0.001833 45
13336 48 C 30.8879 3.24827 65.4607 -0.00186545 0.00110301 0.000703564 45
13337 49 C 31.6659 2.04222 64.8655 0.00025367 -0.000322891 -0.00215391 45
13338 50 C 30.9584 3.36254 66.8752 0.0029284 0.00412002 0.00227653 45
13339 51 C 30.186 4.32584 67.5393 0.0042458 -0.00346859 0.00218132 45
13340 52 O 34.2282 1.93757 63.2665 -0.000766932 -0.00461989 -0.00244268 45
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13343 55 C 33.6965 5.21193 80.4085 0.000722178 0.00169837 -0.00353989 45
13344 56 C 34.3909 3.94702 79.9308 0.00203065 0.00104352 0.00127592 45
13345 57 C 34.9796 0.915765 62.642 -0.00113699 -0.000371955 6.45797e-05 45
13346 58 C 35.2008 1.45659 61.2196 0.000325589 -0.00127883 -0.00226287 45
13347 59 C 34.0133 1.27987 60.2717 -0.00368784 -0.00170292 -0.00329761 45
13348 60 C 34.2905 1.82139 58.8642 -0.00172744 -0.000384146 0.00206299 45
13349 61 C 33.2859 1.39774 57.8356 0.000925032 -0.000954963 0.00196025 45
13350 62 C 33.5559 2.05302 56.4731 -0.00117858 0.00101555 -0.00177138 45
13351 63 C 32.6651 1.34304 55.4697 0.00135228 0.00290524 0.00331927 45
13352 64 C 32.66 2.01517 54.1264 0.00121132 0.00060476 -0.00158409 45
13353 65 C 31.6647 1.2531 53.2043 -0.00202038 -0.00256655 -0.000214799 45
13354 66 C 31.6199 1.69189 51.7423 0.00288657 -0.00164419 -0.00288228 45
13355 67 C 32.7618 1.09892 50.8869 0.000979479 -0.00372084 0.000261904 45
13356 68 C 32.5709 1.54757 49.435 -0.00143145 -0.00202596 0.00165927 45
13357 69 F 31.0825 5.12498 71.1545 0.00195248 -0.00092842 0.00287394 45
13358 70 C 30.9221 -1.76362 62.9898 0.00039777 -0.000878554 -0.000323724 45
13359 71 C 31.8432 -1.71354 61.7321 -0.00266033 0.00249071 0.000148405 45
13360 72 C 31.1616 -1.493 60.4034 -0.00179668 -0.00274437 -0.000547926 45
13361 73 C 31.9221 -2.19642 59.225 0.000614857 0.00449304 -0.000682765 45
13362 74 C 31.3711 -2.0609 57.7617 0.00104727 -8.48449e-05 -0.00065524 45
13363 75 C 32.0769 -3.00691 56.7655 0.00424283 -0.0030501 -0.00330665 45
13364 76 C 31.8005 -2.56294 55.2839 0.00199828 0.00121004 -0.00219352 45
13365 77 C 32.5822 -3.40509 54.2308 0.000255134 -0.0013423 0.00223089 45
13366 78 C 32.3922 -2.90569 52.7837 0.000549391 0.00420308 0.000277505 45
13367 79 C 33.2286 -3.72311 51.7585 0.000186865 0.000886108 -0.00286677 45
13368 80 C 33.0941 -3.27695 50.2857 -0.00362501 -0.00567981 -0.000123355 45
13369 81 C 31.7765 -3.68297 49.5923 -0.000985823 0.000968725 0.00360488 45
13370 82 C 29.3059 3.3311 62.6439 0.000511488 0.0029086 -0.00103936 45
13371 83 C 29.9081 2.59855 61.4365 0.000541983 0.00214721 0.00019019 45
13372 84 C 30.269 3.47845 60.2004 -0.00173646 0.000600722 -0.00481373 45
13373 85 C 29.0112 3.8468 59.4149 0.00467243 -0.00219983 -0.00133474 45
13374 86 C 29.3638 4.42773 57.9992 -0.00291467 -0.00149085 0.000851169 45
13375 87 C 29.8814 3.35433 56.9998 -0.00169515 0.000893527 0.00248095 45
13376 88 C 28.9616 3.11523 55.7962 -0.000491812 -0.00105247 -0.00266007 45
13377 89 C 28.6291 4.37024 54.9087 -0.00320307 0.00235796 -0.00244668 45
13378 90 C 27.8764 4.01779 53.6087 0.000100558 0.00107662 0.00265007 45
13379 91 C 28.7922 3.6757 52.4341 -0.00472096 -0.00564558 -0.00324025 45
13380 92 C 28.0254 3.59448 51.0947 0.00495742 0.00218238 0.00202386 45
13381 93 C 28.9056 3.2663 49.8893 0.00290561 0.000268582 0.00221087 45
13382 94 C 29.7344 5.79257 82.3042 -0.00174388 -0.00349108 0.00103256 45
13383 95 C 29.6106 5.26067 83.7278 -0.0019081 0.000151408 -0.00265725 45
13384 96 C 28.3412 5.68093 84.4295 0.00145023 -0.000276552 0.0017051 45
13385 97 C 27.9058 5.03192 85.7788 -0.000821911 0.00176131 -0.00410741 45
13386 98 C 28.4971 5.59497 87.0848 -0.00180427 -0.00147588 -0.00044854 45
13387 99 C 27.9272 5.00619 88.345 0.000881874 0.00406879 0.000400916 45
13388 100 C 28.6176 5.71267 89.5258 -0.00123941 0.00359337 0.0006883 45
13389 101 C 28.2892 5.14112 90.9071 -0.000307406 -0.00294608 -0.000649371 45
13390 102 C 29.059 5.87171 92.0505 0.00147771 0.000204513 0.00106485 45
13391 103 C 28.7077 5.29651 93.426 0.00869088 0.00142236 -0.00243276 45
13392 104 C 29.4533 5.83174 94.6458 0.00162684 -0.00258602 -0.00298174 45
13393 105 C 28.7654 5.45374 95.9486 -0.00466107 -0.000598195 -0.000859989 45
13394 106 C 35.5133 8.6409 82.6022 -0.000239622 0.00448377 -0.0025242 45
13395 107 C 35.1113 8.87976 84.036 -0.00106215 0.000539124 0.00111503 45
13396 108 C 36.299 9.25931 84.9145 -0.00342147 -0.00159538 -0.00202093 45
13397 109 C 35.9248 9.713 86.3177 0.00137043 -0.00168298 0.00156101 45
13398 110 C 37.002 9.55312 87.4465 0.00614257 0.00487354 0.00212508 45
13399 111 C 36.4491 9.99163 88.7917 0.00134234 0.000350755 -0.000564416 45
13400 112 C 37.1983 9.64275 90.0344 0.00125829 -0.00156293 -0.000396373 45
13401 113 C 36.3555 9.95578 91.3069 0.000837187 -0.0010531 -0.00867261 45
13402 114 C 37.0915 9.61714 92.6322 -0.000130257 0.00472683 -0.000549004 45
13403 115 C 36.1955 9.92104 93.8112 -0.00252029 0.00301256 1.87674e-05 45
13404 116 C 36.8359 9.5834 95.1557 -0.000180394 0.00114916 0.00170129 45
13405 117 C 35.9311 10.0547 96.3273 -0.00143334 -0.00686071 0.00106587 45
13406 118 C 35.5915 1.72581 82.798 -0.00471105 0.00163673 -0.000982194 45
13407 119 C 35.928 1.96671 84.264 0.00167656 -0.00453665 -0.000133253 45
13408 120 C 36.4368 0.701919 84.9704 0.00339991 0.00630689 -0.000216641 45
13409 121 C 37.0544 1.057 86.3864 0.00303354 0.00535415 -0.0057745 45
13410 122 C 36.0559 0.791313 87.5241 -0.00103529 -0.00114145 -0.00111864 45
13411 123 C 36.7066 0.841417 88.918 -0.00291497 -0.000675995 -0.00050805 45
13412 124 C 35.7743 0.530371 90.0774 -0.0058792 -0.000366405 0.000374869 45
13413 125 C 36.5368 0.662222 91.453 0.00111963 -0.0019039 0.000998221 45
13414 126 C 35.6653 0.292439 92.6859 0.00248102 -0.00108881 -0.0014783 45
13415 127 C 36.4004 0.60554 94.0055 -0.00253152 -0.00194772 -0.00235393 45
13416 128 C 35.825 -0.0874113 95.2545 0.000864067 0.00170405 0.00219343 45
13417 129 C 36.4462 0.478313 96.5104 0.00223803 -0.00123442 -0.00225017 45
13418 130 F 31.9439 6.08408 73.6777 -0.00108031 -0.00312537 0.0020926 45
13419 131 H 36.0031 9.44499 80.1688 0.0155299 -0.0132487 0.00772604 45
13420 132 H 36.1381 9.25009 77.7746 -0.000731976 0.00222501 0.00380047 45
13421 133 H 35.0118 7.3932 76.6021 -0.0016146 -0.00517671 -0.00285025 45
13422 134 H 28.9382 5.23106 79.9216 0.000967115 -0.00526541 0.0063007 45
13423 135 H 29.1784 5.24335 77.397 0.00243861 -0.0035877 0.00314208 45
13424 136 H 31.393 5.24752 76.407 0.00623379 -0.0184483 0.00039818 45
13425 137 H 36.024 0.996317 80.4826 -0.000800086 0.00573528 0.0162012 45
13426 138 H 36.2249 1.05828 78.0621 0.00849224 0.00570432 3.69852e-07 45
13427 139 H 35.2289 2.84871 76.7441 -0.00202162 0.0078851 -0.0028953 45
13428 140 H 33.8255 1.55379 71.7297 0.0141114 0.00293219 0.00702091 45
13429 141 H 34.5911 2.44624 73.9952 9.06946e-05 -0.0101691 -0.00463876 45
13430 142 H 29.5514 -2.09632 67.6432 0.00910809 0.00245013 0.002202 45
13431 143 H 29.6401 -2.19418 65.1915 -0.0349061 0.0060879 0.00405159 45
13432 144 H 30.5527 -0.0925495 68.8327 0.0132268 -0.00260772 -0.00215186 45
13433 145 H 36.5289 2.52431 67.2114 -0.00239676 0.0101841 0.00266934 45
13434 146 H 36.4211 2.2552 64.7868 -0.00757676 0.00276521 -0.00507993 45
13435 147 H 34.4117 2.41845 68.557 -0.00560217 0.00971475 0.00194409 45
13436 148 H 28.9099 5.99412 67.2722 -0.0036979 0.000611591 0.00232417 45
13437 149 H 28.8553 5.85237 64.7944 -0.00211545 -0.00282857 -0.000839116 45
13438 150 H 31.6742 1.93531 63.7737 0.0106298 -0.0109504 -0.00105165 45
13439 151 H 30.1788 4.39628 68.623 -0.00494544 -0.00319486 0.00209349 45
13440 152 H 33.6309 5.22612 81.5035 0.0103658 0.0108072 -0.00308307 45
13441 153 H 35.9251 0.79273 63.1845 -0.000386494 -0.00157239 -0.0015209 45
13442 154 H 34.4406 -0.0397084 62.6428 0.00231181 -0.00232093 -0.00222735 45
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13444 156 H 35.4108 2.52918 61.3137 -0.00488035 5.67241e-05 -0.00593241 45
13445 157 H 33.1339 1.78994 60.6838 0.00271554 0.00734344 -0.000835144 45
13446 158 H 33.7224 0.227295 60.1674 0.000342798 -0.00312064 -0.000172983 45
13447 159 H 35.2902 1.56405 58.4929 -0.00325943 0.00773359 -0.00772807 45
13448 160 H 34.208 2.91311 58.9332 -0.016305 -0.00247053 0.0181708 45
13449 161 H 32.259 1.62185 58.1497 -0.00072415 -0.00200018 -0.00266511 45
13450 162 H 33.319 0.311312 57.6873 0.000107931 -0.00141681 0.00519106 45
13451 163 H 34.5943 1.92729 56.1425 0.000887294 0.00160563 0.0045171 45
13452 164 H 33.288 3.11673 56.487 0.00628021 0.00265405 0.0150685 45
13453 165 H 31.639 1.30898 55.8562 -0.00548924 0.0128233 -0.0139878 45
13454 166 H 32.9929 0.301111 55.3682 -0.00237023 0.000558111 0.0152695 45
13455 167 H 33.6456 2.07512 53.6485 0.00190581 -0.00992778 -0.00144642 45
13456 168 H 32.3067 3.04492 54.2613 -0.0123809 -0.00436851 0.00080783 45
13457 169 H 30.6543 1.26681 53.6315 -0.00326083 -0.019177 -0.00256117 45
13458 170 H 31.9318 0.189258 53.2206 0.000651799 -0.00185388 0.00251804 45
13459 171 H 31.4945 2.77707 51.6419 0.00647729 -0.000862635 0.00117292 45
13460 172 H 30.6764 1.28868 51.3542 0.00652731 -0.00107147 -0.0123108 45
13461 173 H 32.6986 0.0102613 51.0062 0.00979103 -0.00441015 -0.00151835 45
13462 174 H 33.7552 1.45349 51.1882 0.000223153 0.000692029 -0.00241184 45
13463 175 H 33.4421 1.18567 48.8751 -0.00255813 -0.0136189 0.00739547 45
13464 176 H 32.5605 2.63828 49.3181 -0.0112996 -0.00074264 0.0146853 45
13465 177 H 31.6135 1.19217 49.0343 -0.0059332 0.00973523 0.0019381 45
13466 178 H 31.5193 -2.29382 63.7419 -0.0129003 -0.00422805 0.00784782 45
13467 179 H 29.9807 -2.29947 62.8163 0.00285669 -0.00598041 0.0021079 45
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13485 197 H 32.9393 -4.78116 51.7437 0.0019852 0.000410111 -0.00411191 45
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13490 202 H 31.7216 -4.77859 49.5973 0.0123279 0.000300444 0.00498319 45
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13492 204 H 28.5435 4.0617 62.3465 0.00888988 0.0059838 -0.0149434 45
13493 205 H 30.8369 2.10678 61.7512 -0.00252958 -0.0132163 -0.014784 45
13494 206 H 29.2217 1.81432 61.0942 0.00642547 -0.0022118 -0.00161545 45
13495 207 H 30.718 4.4158 60.5514 0.00951801 -0.00858307 0.00527252 45
13496 208 H 30.9356 2.88636 59.5613 0.0174072 0.00632245 0.0099123 45
13497 209 H 28.3212 2.99965 59.3167 -0.00720599 0.00741137 -0.000875726 45
13498 210 H 28.5023 4.62101 60.0023 0.0150492 -0.00263981 0.00825644 45
13499 211 H 28.4777 4.90677 57.5647 0.00528006 0.00759343 -0.00586547 45
13500 212 H 30.1198 5.2178 58.0867 0.00706923 -0.00955699 -0.0124707 45
13501 213 H 30.8666 3.69013 56.6532 -0.0040752 -0.00905376 -0.0138447 45
13502 214 H 29.9741 2.3896 57.5137 0.00892596 0.00169099 0.00203111 45
13503 215 H 29.413 2.33617 55.1695 -0.00200498 0.00254379 -0.00821668 45
13504 216 H 28.0461 2.63291 56.1604 0.00052477 -0.00528499 -0.00568566 45
13505 217 H 28.0568 5.12355 55.464 -0.00571532 0.00885929 -0.0138537 45
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13508 220 H 27.2573 4.87159 53.3067 -0.0094014 -0.0109837 -0.0120363 45
13509 221 H 29.5989 4.41603 52.3665 -0.0107599 0.00136396 0.00148799 45
13510 222 H 29.2519 2.69722 52.6204 -0.005914 -0.00582106 -0.00122384 45
13511 223 H 27.2423 2.83126 51.1825 0.00487667 0.0017975 -0.00206278 45
13512 224 H 27.5722 4.58231 50.9458 0.00145852 -7.56742e-05 -0.00223595 45
13513 225 H 28.3631 3.35497 48.9399 -0.00834299 0.00302328 0.00890403 45
13514 226 H 29.8266 3.8618 49.9125 0.00272102 0.00112307 -0.0136063 45
13515 227 H 29.156 2.19947 49.94 0.0108796 0.0014846 -0.0117717 45
13516 228 H 29.5915 6.87946 82.2635 -0.00175044 -0.00352006 0.000285054 45
13517 229 H 28.8728 5.35267 81.787 -0.00301764 -0.00888711 0.00776078 45
13518 230 H 29.6345 4.16508 83.6776 0.00534568 0.00121295 -0.0223255 45
13519 231 H 30.4331 5.59358 84.373 -0.00979862 0.00215693 0.00639349 45
13520 232 H 28.3825 6.76427 84.5971 0.00114372 -0.000110051 0.000702197 45
13521 233 H 27.4989 5.5198 83.7454 0.00868829 -0.0130632 -0.00419407 45
13522 234 H 26.8128 5.11713 85.8179 -0.00137293 -0.00442463 -0.00591762 45
13523 235 H 28.1052 3.95336 85.7973 0.00538925 0.00317478 0.0121044 45
13524 236 H 29.589 5.49367 87.1166 -0.00209283 -0.00718278 -0.00924666 45
13525 237 H 28.298 6.67145 87.155 -0.0156223 -0.00463937 0.0090284 45
13526 238 H 26.8352 5.1077 88.3681 -0.00116734 -0.0195946 0.00751354 45
13527 239 H 28.2017 3.94407 88.344 0.00462525 0.00503303 -0.0131726 45
13528 240 H 29.7087 5.68829 89.4149 -0.00201571 -0.0153612 -0.00282437 45
13529 241 H 28.306 6.76226 89.5942 -0.00390496 0.00214168 0.0112659 45
13530 242 H 27.2167 5.20422 91.129 -0.00281315 -0.00607694 -0.0119339 45
13531 243 H 28.5323 4.07146 90.9188 -0.000962765 -0.00311776 -0.00271285 45
13532 244 H 30.1364 5.73721 91.8933 0.00536743 0.020997 0.0100592 45
13533 245 H 28.7982 6.93292 91.9546 0.0264402 0.00618095 -0.00044617 45
13534 246 H 27.6253 5.37524 93.5857 0.00763346 -0.0132139 -0.00215866 45
13535 247 H 28.8144 4.20913 93.3277 0.0016318 0.00119063 -0.00781965 45
13536 248 H 30.484 5.45653 94.6256 -0.000397872 -0.0084269 0.00260824 45
13537 249 H 29.5084 6.92604 94.592 -0.0101555 -0.00098165 0.0175968 45
13538 250 H 29.368 5.75486 96.8143 -0.00452674 0.00310826 -0.00224681 45
13539 251 H 27.7743 5.91786 96.0243 -0.00716727 -0.0062241 0.000878188 45
13540 252 H 28.6333 4.36818 96.0352 -0.0107869 -0.000979612 -0.0151127 45
13541 253 H 36.5364 8.2452 82.5912 -0.00194547 0.000314517 -0.0109808 45
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13593 3 C 39.1131 13.8973 77.4138 0.00194979 0.00119187 0.00119435 46
13594 4 C 38.4548 13.0044 78.2929 -0.00316565 -0.00575662 7.78162e-05 46
13595 5 C 38.4182 13.1516 79.7212 0.000766607 -0.00099357 0.00604552 46
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13598 8 C 33.885 11.806 78.2667 0.00104383 -0.00346699 5.08847e-05 46
13599 9 C 35.1113 11.7949 77.6059 -0.000353354 0.00131888 0.000285607 46
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13601 11 C 36.2734 11.9661 79.7845 0.000370306 0.00214872 -0.00459791 46
13602 12 C 35.0408 11.9583 80.4525 0.00163048 -0.00293071 0.00345183 46
13603 13 C 39.7125 8.60979 80.0229 0.000685649 -0.000966159 -0.00153359 46
13604 14 C 39.7428 8.55389 78.6218 -0.00383486 -0.00302612 0.0025473 46
13605 15 C 39.0865 9.49562 77.8741 0.00204774 0.000140945 0.0015783 46
13606 16 C 38.4046 10.5517 78.5158 -0.00352456 -0.00028268 -0.00326331 46
13607 17 C 37.7583 11.7437 77.7705 0.00400102 -0.00108058 -0.00489836 46
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13611 21 C 38.9934 9.65248 80.6823 0.00193892 -0.00315497 0.00266388 46
13612 22 C 37.6741 11.477 76.313 0.00292386 -0.000475987 0.000833931 46
13613 23 C 37.4782 11.2042 75.16 0.00338605 0.00272409 -0.00422145 46
13614 24 C 37.1319 10.6995 73.8836 0.000548104 -0.00231905 0.0016394 46
13615 25 C 38.0529 9.96711 73.1206 0.00239553 0.00136502 0.00352793 46
13616 26 C 37.6759 9.42923 71.8621 -0.00236967 0.00408654 -0.00190462 46
13617 27 C 36.3226 9.59502 71.4437 -0.00252097 -0.00194696 0.0013515 46
13618 28 C 35.4221 10.2512 72.2642 0.0026885 0.00196842 -0.00162794 46
13619 29 C 35.8114 10.8284 73.5 0.000371227 -0.00011323 -0.00221579 46
13620 30 C 35.9665 9.29437 70.0957 -0.000571442 -0.00500767 -0.0011031 46
13621 31 C 35.7601 9.11504 68.9222 0.00124194 -0.0020926 -0.00282525 46
13622 32 C 33.5875 5.7542 66.9389 -0.00075526 -0.00147511 -0.00114642 46
13623 33 C 33.6502 5.71603 65.5123 0.000623849 -0.00141061 -0.00174142 46
13624 34 C 34.3474 6.68621 64.8139 -0.00352194 -0.000280288 0.00256986 46
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13627 37 C 34.2179 6.83135 67.6153 -0.00131486 0.00274062 0.000401062 46
13628 38 C 35.673 9.04622 67.4349 -0.00169811 -0.00107699 -0.00348274 46
13629 39 C 39.4852 9.17123 66.6981 0.00172918 0.00102867 -0.00150252 46
13630 40 C 39.4371 9.11495 65.2608 -0.00102196 0.00412118 -0.00213298 46
13631 41 C 38.2186 8.95464 64.608 -0.00255299 -0.00244312 -0.00185207 46
13632 42 C 37.0391 8.89077 65.3673 -0.00106 -0.000427033 -0.000749035 46
13633 43 C 37.0469 8.97141 66.7599 -0.00398521 -0.00103017 -0.0044022 46
13634 44 C 38.2777 9.07719 67.4141 -0.0021294 -0.00588033 -0.00212432 46
13635 45 C 34.0967 12.4815 66.7318 -0.00117773 -0.00423422 0.00493932 46
13636 46 C 34.3051 12.4991 65.3365 -0.00340266 0.00259053 0.000346935 46
13637 47 C 34.7709 11.4057 64.6463 -0.000597741 -0.0011069 0.00314499 46
13638 48 C 35.1116 10.2497 65.3747 0.00386523 0.0012808 -0.00158822 46
13639 49 C 35.636 8.92863 64.7987 0.00227594 -0.00553821 0.00225455 46
13640 50 C 35.0494 10.2774 66.7856 0.000573335 0.000440855 -0.000149608 46
13641 51 C 34.5164 11.3807 67.4846 0.00166376 0.00395046 0.000712928 46
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13645 55 C 37.7032 11.9928 80.4353 -0.000569983 0.00220373 -0.000104988 46
13646 56 C 38.3855 10.6782 79.9049 -0.00205106 0.000882773 -0.000416209 46
13647 57 C 37.7187 8.10713 62.3563 0.000287479 -0.00352941 -0.00391535 46
13648 58 C 36.9297 8.7901 61.2228 0.000215649 0.000762739 0.00124154 46
13649 59 C 36.5659 7.82293 60.0684 0.00105488 -0.000562277 0.00267148 46
13650 60 C 35.6487 8.43716 58.9628 -0.00476651 -0.00178795 0.00222025 46
13651 61 C 36.2638 9.36142 57.8718 -0.00347044 -0.000668113 0.00243439 46
13652 62 C 37.0657 8.5506 56.8411 0.000923671 -0.00216222 0.00263088 46
13653 63 C 37.1089 9.13497 55.4129 0.000878815 0.00115815 -0.00189401 46
13654 64 C 35.7027 9.20787 54.7171 0.0037057 0.00246743 0.00210496 46
13655 65 C 35.6738 8.42875 53.4001 0.00350178 0.00236034 -0.00259882 46
13656 66 C 36.23 9.24195 52.186 -0.00454634 -0.00192662 -0.00152554 46
13657 67 C 36.0985 8.35122 50.9225 -0.000386392 -0.00217484 0.00165832 46
13658 68 C 36.5913 9.00586 49.6445 -0.000918406 0.00420775 -0.000745301 46
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13660 70 C 33.5058 6.82524 62.5113 -0.0019724 -0.00103945 -0.0027961 46
13661 71 C 32.9418 5.48261 61.9914 0.000300273 -0.000354042 0.00311265 46
13662 72 C 33.3965 5.13859 60.5666 -0.00160553 0.00793035 0.00152301 46
13663 73 C 32.9276 6.18075 59.5027 -0.00217776 -0.00326569 -0.00289915 46
13664 74 C 33.1019 5.77837 58.0075 -0.00302646 0.00323642 0.00233242 46
13665 75 C 32.6584 7.02922 57.1481 0.00049655 -0.000928797 -0.00150355 46
13666 76 C 31.9919 6.70387 55.7975 -0.000646299 0.00232381 0.000159797 46
13667 77 C 32.9143 6.12277 54.695 -0.000486648 0.0011654 0.000919799 46
13668 78 C 32.1059 6.03939 53.3665 0.00285406 0.000651518 -0.0019785 46
13669 79 C 32.9371 5.66945 52.1397 0.00425075 0.000679574 0.00145719 46
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13671 81 C 32.7737 5.81793 49.568 -0.00151169 -0.000521228 0.000542286 46
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13674 84 C 36.5707 12.5806 59.9849 0.00282009 -0.000112664 -0.00512112 46
13675 85 C 35.8765 12.9506 58.6324 0.00096747 -0.00361106 0.00256878 46
13676 86 C 36.7974 12.9608 57.4128 0.00333071 0.00189976 0.00194124 46
13677 87 C 35.9351 12.9357 56.1118 -0.000602691 0.00184586 -1.85325e-05 46
13678 88 C 36.752 12.968 54.8133 0.00215296 0.00293787 -0.00176094 46
13679 89 C 35.8147 12.943 53.557 -0.000526777 0.00328537 -0.00135611 46
13680 90 C 36.6061 12.9282 52.2013 -0.000352008 5.52997e-05 0.00125731 46
13681 91 C 35.6093 12.9219 51.0061 0.00137118 -0.00245633 -0.00121261 46
13682 92 C 36.3129 12.9366 49.6182 -0.000549134 0.00421381 -0.00224423 46
13683 93 C 35.3145 12.9712 48.4397 -0.00505906 0.00111838 -0.000677007 46
13684 94 C 33.6837 11.9586 82.4725 0.00225874 0.0064359 -0.00243305 46
13685 95 C 33.8195 12.2315 83.977 -0.00120753 0.000876013 -0.0013915 46
13686 96 C 32.5807 11.7128 84.7402 0.00220837 -0.00322916 0.00189713 46
13687 97 C 32.6804 11.5517 86.2718 -0.00143209 -0.00214939 -0.00107639 46
13688 98 C 32.6358 12.9021 87.0236 0.00380221 -0.00433228 -0.000475392 46
13689 99 C 32.4282 12.8558 88.5236 -0.00289861 -0.00255251 -0.00332182 46
13690 100 C 33.5423 12.0667 89.2736 0.00231102 0.00247976 0.00394425 46
13691 101 C 33.1307 11.6993 90.729 0.00341467 0.00663914 -0.000561649 46
13692 102 C 33.651 12.5351 91.869 6.87561e-06 0.00203279 -0.000640706 46
13693 103 C 33.1557 12.0173 93.2387 -0.000412984 0.00551916 0.0017412 46
13694 104 C 33.6491 12.83 94.471 -0.000329713 -0.000759752 -0.00121767 46
13695 105 C 32.9616 12.3648 95.8003 -0.00520698 0.00375443 0.00175444 46
13696 106 C 39.4528 15.8335 82.2 0.00309897 0.00303464 0.00356547 46
13697 107 C 39.6463 15.8363 83.7268 0.00302576 0.00021715 -7.34828e-05 46
13698 108 C 40.0493 17.2269 84.2202 -0.000774275 -0.000682549 0.000806993 46
13699 109 C 40.7521 17.346 85.5667 0.00188711 -0.0028956 0.00169518 46
13700 110 C 40.039 16.8044 86.8026 0.00055363 -0.000340577 -0.00336086 46
13701 111 C 40.8002 17.106 88.1399 -0.00275119 -0.00465459 0.00371136 46
13702 112 C 40.1456 16.6822 89.4584 -0.000279159 0.000647409 0.0020143 46
13703 113 C 40.9278 17.2662 90.6672 0.00246793 0.000481152 -0.00183661 46
13704 114 C 40.3121 16.7905 91.9942 -0.000754098 0.000252272 0.000765607 46
13705 115 C 41.0873 17.3066 93.1851 0.00715199 0.0014817 -0.00177285 46
13706 116 C 40.5161 16.9714 94.5624 -0.00278176 -0.00365412 0.001821 46
13707 117 C 41.1674 17.7846 95.691 -0.00199673 -4.79029e-05 -0.00354497 46
13708 118 C 38.9868 8.47125 82.8611 0.00441864 -0.00313732 -0.000491523 46
13709 119 C 40.3623 8.02741 83.2994 -0.00201763 -0.00146712 0.000715269 46
13710 120 C 40.4495 7.20525 84.6155 -0.000678844 -0.0018425 0.00339665 46
13711 121 C 40.3028 8.05422 85.9115 -0.000775461 0.00399339 -0.00434622 46
13712 122 C 40.2284 7.14881 87.1702 -0.00173365 0.000244932 -0.00677255 46
13713 123 C 40.2842 8.01364 88.4714 0.00118687 -0.000659499 -0.000209431 46
13714 124 C 40.1077 7.22836 89.7738 -0.000594898 0.000520954 0.000917401 46
13715 125 C 40.354 8.10328 91.0244 0.0016441 -0.00235987 0.000454889 46
13716 126 C 40.2104 7.22388 92.2531 -0.000221622 -0.00493991 -0.00259184 46
13717 127 C 40.3366 7.95923 93.6103 4.54172e-06 -0.00124184 0.000193999 46
13718 128 C 40.3067 6.94715 94.7741 0.000176092 0.00190558 0.00321565 46
13719 129 C 40.1419 7.66019 96.1303 -0.00184041 -0.00150939 0.000650104 46
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13725 135 H 32.9462 11.6813 77.7352 -0.00131879 -0.0133119 0.00649383 46
13726 136 H 35.1181 11.7187 76.5226 -0.0121058 -0.00419759 0.000604493 46
13727 137 H 40.1692 7.8077 80.5951 -0.0073455 0.00423872 0.0122156 46
13728 138 H 40.2508 7.75686 78.0869 0.000142801 0.000969556 0.000365807 46
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13731 141 H 35.1165 11.4074 74.1011 0.0131708 0.00657081 0.00615349 46
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13739 149 H 34.0121 13.3753 64.7657 0.00608231 0.00160723 -0.00603962 46
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13741 151 H 34.4534 11.4909 68.5631 0.00341555 0.00312938 0.000895457 46
13742 152 H 37.6479 12.0833 81.5272 -0.00049934 0.00140429 -3.50494e-05 46
13743 153 H 38.578 7.52323 62.0039 -0.0117619 -0.0186286 -0.00836731 46
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13747 157 H 36.0095 6.96698 60.4698 -0.0107979 0.00897606 0.00662405 46
13748 158 H 37.5014 7.49018 59.602 -0.00719207 -0.0209904 0.000760972 46
13749 159 H 34.945 9.04827 59.5415 0.00207421 0.00226317 0.00629501 46
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13764 174 H 36.6483 7.41208 51.0608 -0.00347725 -0.00276331 0.00994731 46
13765 175 H 35.9347 9.86889 49.4789 0.00210021 0.00734434 0.0036524 46
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13827 237 H 31.7636 13.3925 86.5741 -0.00155666 -0.00779487 0.00616649 46
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13835 245 H 33.2299 13.5399 91.7405 0.00274331 0.00340122 0.0011466 46
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13858 268 H 40.9287 18.3625 90.7047 0.00406908 0.000372721 0.00150426 46
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13897 5 C 42.4107 6.38365 79.8764 0.000293302 0.00362725 -0.00507068 47
13898 6 C 43.0402 7.51318 80.4789 0.000672898 -0.000921889 -0.0067572 47
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13904 12 C 38.9632 5.21143 80.4443 -0.00228674 -0.00376218 -0.00108737 47
13905 13 C 43.6674 1.78937 79.9719 -0.000517458 -0.000493708 -0.00128509 47
13906 14 C 43.7486 1.85193 78.5327 0.00106202 0.00146413 0.00072245 47
13907 15 C 43.1098 2.88341 77.8381 0.000507277 -0.00286114 0.00328899 47
13908 16 C 42.5044 3.91495 78.5571 0.000264163 -0.00236081 0.00270193 47
13909 17 C 41.7574 5.04187 77.8813 0.00121906 0.000681479 -0.000626161 47
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13912 20 O 43.0361 7.67939 81.8503 -0.00390913 0.000969253 0.000608751 47
13913 21 C 42.9861 2.7832 80.6909 0.00510972 0.00313345 -0.000922091 47
13914 22 C 41.7952 4.91236 76.4098 -0.00180031 -0.000392502 -0.00325727 47
13915 23 C 41.6819 4.65927 75.2091 -0.00269812 0.00333806 -0.00615651 47
13916 24 C 41.3179 4.24918 73.9054 -0.00182979 -0.00283144 0.0004165 47
13917 25 C 41.98 3.1648 73.2805 -0.00174478 -0.00151981 -0.00190883 47
13918 26 C 41.5379 2.63799 72.0602 0.0022874 0.00229946 -0.00356645 47
13919 27 C 40.5003 3.27391 71.3998 0.00121463 0.000194481 -0.00439589 47
13920 28 C 39.8681 4.4135 71.9638 0.0023373 -0.00379775 0.00454143 47
13921 29 C 40.2587 4.88031 73.2441 -0.00026606 3.10094e-05 0.00288 47
13922 30 C 40.0803 2.87418 70.1093 0.00168337 0.0024243 0.000497673 47
13923 31 C 39.8146 2.61622 68.9448 -0.00528593 0.000137126 -0.00104474 47
13924 32 C 37.8911 -1.02844 67.3799 0.00438593 -0.00255125 -0.0021962 47
13925 33 C 37.856 -1.16682 65.994 0.00352939 -0.00141849 0.000674227 47
13926 34 C 38.2816 -0.131482 65.147 0.00110858 0.00120702 -0.00203783 47
13927 35 C 38.7649 1.04176 65.6705 0.00324425 0.00320951 0.00399074 47
13928 36 C 38.9296 1.13827 67.0673 -0.000849177 0.000632411 0.000273673 47
13929 37 C 38.5189 0.099418 67.9347 0.00114677 0.00231614 -0.000488303 47
13930 38 C 39.5853 2.45128 67.5175 -0.00215295 -0.00259293 -0.00144476 47
13931 39 C 43.3451 2.52209 66.422 -0.000122522 0.00045693 -0.00425409 47
13932 40 C 43.1258 2.54263 65.0736 -0.00192846 0.00300917 -0.00477693 47
13933 41 C 41.8658 2.48688 64.5232 -0.0026762 0.00149054 -0.00324548 47
13934 42 C 40.7795 2.34466 65.3765 0.000298328 0.000991532 0.000164625 47
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13936 44 C 42.2403 2.41611 67.286 0.00175515 0.000869225 2.93763e-05 47
13937 45 C 37.4819 5.67717 66.7039 0.00271204 -0.00304073 -0.000204817 47
13938 46 C 37.5143 5.56718 65.2928 -0.000310105 0.00125853 0.00179954 47
13939 47 C 38.1289 4.48794 64.6598 0.000229751 -0.0028167 0.00108766 47
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13941 49 C 39.3363 2.22075 64.8918 -0.00266621 -0.00224491 0.00142113 47
13942 50 C 38.7302 3.58239 66.8581 -0.00150992 -0.00224362 0.000786336 47
13943 51 C 38.0814 4.65462 67.4758 0.000611054 -0.00128636 0.00323149 47
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13948 56 C 42.3842 3.89421 79.9854 -0.00112034 -0.000910164 -0.00160636 47
13949 57 C 41.3066 1.60078 62.2867 0.000479884 0.00114025 0.00238755 47
13950 58 C 41.0964 2.21399 60.9064 -7.51213e-05 0.00173551 0.000924682 47
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13953 61 C 39.252 0.821344 57.7109 -0.000991786 3.40238e-05 0.00252752 47
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13957 65 C 40.5631 1.1988 53.1903 0.000714658 -0.0014534 0.00167442 47
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13959 67 C 39.7155 2.31213 50.9853 0.000763602 -0.000893282 -0.00333991 47
13960 68 C 39.6976 2.12611 49.4919 -0.00114298 0.00278692 -0.00470956 47
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13963 71 C 39.3582 -1.42612 61.8716 0.000211219 0.000242525 0.00262706 47
13964 72 C 39.7282 -2.78995 61.1696 -0.00245641 0.00378714 0.0019927 47
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13966 74 C 39.7346 -3.32658 58.5809 -0.00227938 0.000549465 0.000503877 47
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13968 76 C 39.8167 -3.53759 56.0091 -0.00206679 0.000245888 -0.00220703 47
13969 77 C 40.5325 -3.18643 54.6827 -0.00445593 -0.00206151 0.00606894 47
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13973 81 C 39.8168 -3.10879 49.6591 0.00257589 -0.00084787 0.000278222 47
13974 82 C 37.4115 3.93336 62.3436 -0.0031975 0.000315803 -0.00106525 47
13975 83 C 37.8391 4.41732 60.926 -0.000713204 0.000491064 -0.000726481 47
13976 84 C 37.168 3.81756 59.6899 -0.000928811 0.00301521 0.00261976 47
13977 85 C 37.5775 4.52737 58.371 0.000726725 -0.00221083 0.00132871 47
13978 86 C 36.7492 3.95093 57.1844 -0.00242014 0.00106173 0.00346548 47
13979 87 C 37.0407 4.66076 55.8372 0.000565948 0.000414053 0.0041253 47
13980 88 C 36.2379 3.90321 54.7364 -0.000278512 -0.00410275 0.00291355 47
13981 89 C 36.4079 4.55504 53.3643 0.00158207 -0.00125793 -0.000877136 47
13982 90 C 36.1685 3.64201 52.1687 0.00342007 0.00305172 1.03794e-05 47
13983 91 C 36.2428 4.46404 50.8706 -0.00123652 -0.00593793 -0.00243857 47
13984 92 C 36.0275 3.62367 49.6486 -0.00155224 0.00154741 -2.19831e-05 47
13985 93 C 36.2923 4.45087 48.4025 -0.000670509 0.00100221 -0.00350931 47
13986 94 C 37.3979 5.27046 82.2967 -0.00154578 0.00329072 -0.00299357 47
13987 95 C 37.2507 5.44571 83.8109 -0.00366509 -0.00398259 -0.00608459 47
13988 96 C 35.7863 5.49105 84.2328 -0.00307554 0.000995018 0.00262902 47
13989 97 C 35.5582 5.75575 85.7483 0.000636207 -0.00519411 -0.00104208 47
13990 98 C 36.2334 4.64242 86.582 0.000398205 -0.00343196 -0.00497438 47
13991 99 C 35.9369 4.69495 88.0929 -0.00195869 -0.00271118 -0.000491386 47
13992 100 C 36.2885 6.03019 88.7433 -0.00151563 -0.00209263 -0.00340899 47
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14298 104 C 41.0627 12.2675 94.42 0.00241306 0.0013506 0.000887994 48
14299 105 C 40.8071 11.3165 95.5927 -0.00130485 -0.00243418 -0.00153175 48
14300 106 C 46.4552 15.7466 82.4929 0.00173929 -0.000580156 0.00233134 48
14301 107 C 47.8311 16.1064 83.0863 -0.00123889 -0.000657155 0.00161612 48
14302 108 C 47.9941 15.9012 84.6118 0.000662124 -0.00010786 -0.000930001 48
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14305 111 C 47.7989 16.6261 87.7906 0.00197595 0.00103967 0.00449414 48
14306 112 C 48.2761 17.1015 89.2129 -0.00110983 -0.00086485 -0.00256021 48
14307 113 C 47.6152 16.3659 90.4079 -0.00294626 -0.000585491 0.00186752 48
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14310 116 C 48.7825 16.3059 94.1236 -0.00040492 0.00117601 -0.000835797 48
14311 117 C 48.1559 15.8736 95.4553 0.00106051 0.000460379 0.000867998 48
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14314 120 C 48.4589 7.0243 84.4287 0.00136991 -0.000891993 0.00236618 48
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14316 122 C 47.5291 6.97318 86.8115 0.00163728 -0.00168891 0.00109306 48
14317 123 C 48.0053 6.60515 88.2487 0.00138431 0.00276332 0.00503237 48
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14320 126 C 47.7249 6.89695 91.4412 -0.00200181 0.000106483 0.000370484 48
14321 127 C 48.1735 6.33707 92.8324 -0.000908233 -0.00206119 0.00404861 48
14322 128 C 48.4839 7.38577 93.9357 0.00423699 -0.00424424 0.000352224 48
14323 129 C 47.2587 8.16257 94.4839 -0.00161235 0.00102405 -0.00128621 48
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15211 111 C 12.4618 24.0627 87.8884 0.00268903 -0.00522562 0.00139836 51
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15224 124 C 13.4333 15.3776 89.5889 -0.00194002 -2.97523e-05 0.00314163 51
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15350 250 H 5.06725 19.9038 95.6187 -0.00082703 0.00479087 -0.00741198 51
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15353 253 H 10.8716 23.0731 81.8324 0.00111643 0.00541114 0.00366667 51
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15356 256 H 13.2121 23.3357 81.949 -0.00282362 0.00391619 0.00117619 51
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15363 263 H 12.5314 25.0679 88.3223 -0.000561587 -0.0050474 0.00151873 51
15364 264 H 11.3844 24.0116 87.6881 0.000882082 0.0191475 0.00472686 51
15365 265 H 11.8233 22.6791 89.3977 -0.00220186 -0.00185753 0.00226402 51
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15367 267 H 14.5365 23.8629 89.9816 0.00235576 0.011911 9.59574e-05 51
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15372 272 H 13.6005 24.7728 92.6821 0.00896264 0.00192324 0.0090987 51
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15375 275 H 13.5274 24.8845 95.2999 0.00345457 0.00463811 0.0192068 51
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15384 284 H 14.1756 15.1313 86.7806 -0.00534214 0.00315538 0.0215212 51
15385 285 H 13.9044 13.4332 87.0002 0.000488148 0.00597692 0.0170814 51
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15392 292 H 14.5706 15.5738 91.5162 0.00396308 -0.00763203 0.00799422 51
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15399 299 H 15.0352 14.9599 93.7756 -0.0118403 -0.00612886 -0.00706943 51
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15401 301 H 13.3995 16.0941 96.0907 -0.00756404 0.00286332 -0.0103217 51
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15404 2 C 16.2137 28.826 78.3886 4.17787e-05 0.00236579 -0.00269842 52
15405 3 C 15.6093 27.7432 77.7479 -0.000418393 0.00199745 0.00217569 52
15406 4 C 15.0311 26.7155 78.5094 0.00166244 -0.00273932 -0.000459869 52
15407 5 C 14.9986 26.7777 79.9295 -2.09658e-05 0.00170895 0.00188665 52
15408 6 C 15.5537 27.9319 80.5552 0.000385524 -0.00119434 -0.00464522 52
15409 7 C 10.3964 25.5224 79.7524 -0.000385895 -0.00130734 -0.000212021 52
15410 8 C 10.5168 25.5379 78.3768 0.00153681 -0.00118206 -0.00356261 52
15411 9 C 11.7656 25.4262 77.733 -7.55154e-05 0.0031481 0.000992775 52
15412 10 C 12.9304 25.4091 78.5121 0.00315985 -0.00138842 0.00429642 52
15413 11 C 12.8394 25.4712 79.8972 -0.000227844 0.000623991 0.00118672 52
15414 12 C 11.5653 25.5126 80.5607 0.000504391 0.000497688 0.000580494 52
15415 13 C 16.2555 22.2284 80.0541 -0.00192056 -0.00173296 0.00260942 52
15416 14 C 16.2256 22.1412 78.6555 -0.00333369 0.000459653 -0.00266483 52
15417 15 C 15.6394 23.1892 77.9388 0.00279973 -0.00226789 -0.00285154 52
15418 16 C 15.0611 24.2539 78.6239 -0.00257309 0.00244213 -0.00173979 52
15419 17 C 14.3595 25.4268 77.924 -0.00132223 0.000414107 0.00727227 52
15420 18 O 15.6329 23.2185 82.1688 -0.000511553 -0.00121445 -0.00378878 52
15421 19 O 11.4297 25.5447 81.9286 0.0020815 -0.00130925 0.00183979 52
15422 20 O 15.4701 28.0653 81.8978 0.00409457 -0.00351253 -0.000306499 52
15423 21 C 15.5946 23.2808 80.7749 -0.00118582 0.000290743 0.000784273 52
15424 22 C 14.3169 25.2831 76.451 -0.00354229 -0.000890339 -0.000352543 52
15425 23 C 14.204 25.057 75.2609 -0.00083697 -0.000888457 -0.00191276 52
15426 24 C 13.9354 24.6743 73.9081 -0.00215959 -9.41673e-05 -0.00200338 52
15427 25 C 13.1662 25.5301 73.0597 -0.000714411 0.00568433 -0.000372694 52
15428 26 C 12.7362 25.0626 71.793 0.000301271 -0.000176402 0.00322248 52
15429 27 C 13.013 23.7259 71.4011 0.000575821 0.00147783 0.00475913 52
15430 28 C 13.8073 22.9177 72.2697 0.000660715 -0.00496246 -0.00393377 52
15431 29 C 14.2513 23.3744 73.5292 -5.88133e-05 0.00591807 -0.0016105 52
15432 30 C 12.6336 23.1723 70.1124 -0.00185914 0.00198476 -0.00165628 52
15433 31 C 12.3968 22.8642 68.9616 -0.000160391 0.00299596 -0.00280678 52
15434 32 C 10.2371 19.3844 67.3769 0.0008416 0.000366525 0.00140016 52
15435 33 C 10.1196 19.2502 65.9843 0.00476579 -0.00178124 -0.0032369 52
15436 34 C 10.6285 20.2541 65.1235 0.00302635 -0.000687219 0.000323105 52
15437 35 C 11.2759 21.3376 65.6811 -0.000224852 0.000259027 -0.00489572 52
15438 36 C 11.4244 21.4294 67.0717 0.00318001 0.00150892 -0.000556416 52
15439 37 C 10.8986 20.4675 67.9697 0.00116522 0.000476002 -0.000152794 52
15440 38 C 12.1981 22.6665 67.5033 0.00366652 -0.00135489 -0.000532095 52
15441 39 C 15.9517 22.4018 66.3298 0.000300094 -0.00184603 0.00171904 52
15442 40 C 15.7366 22.3961 64.9723 0.00301822 -0.00290415 2.36925e-05 52
15443 41 C 14.4445 22.3772 64.4327 -0.00348309 -0.00509096 0.00319996 52
15444 42 C 13.3447 22.4508 65.3085 0.00190269 0.00114899 -0.00194157 52
15445 43 C 13.5416 22.5363 66.7296 0.000147681 -0.00290406 0.00480678 52
15446 44 C 14.8557 22.5252 67.2168 0.00371555 -0.00309431 0.00156778 52
15447 45 C 10.3557 26.019 66.7173 -0.00203123 -0.00399529 -0.000781924 52
15448 46 C 10.2991 25.8914 65.3122 -0.00105617 0.00381162 0.000675484 52
15449 47 C 10.8321 24.8197 64.6208 -0.000969816 -0.000240767 -0.000542763 52
15450 48 C 11.3742 23.794 65.3888 0.00254115 0.00108384 0.00702733 52
15451 49 C 11.9015 22.4658 64.8649 0.00221196 0.00188006 -0.00207398 52
15452 50 C 11.4835 23.8663 66.8161 -0.00113858 0.000905541 0.000784231 52
15453 51 C 10.9142 24.9655 67.4925 0.00129671 -0.00452077 -0.00413364 52
15454 52 O 14.2615 22.452 63.0795 -0.00026662 4.39329e-06 -0.00550442 52
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15456 54 O 10.8823 24.7933 63.2365 0.00086354 -0.00145812 -0.00286359 52
15457 55 C 14.2338 25.5708 80.5722 0.00121539 -0.000321723 0.000781876 52
15458 56 C 14.9788 24.2978 80.0224 -0.00151521 0.000832311 0.00186284 52
15459 57 C 13.6102 21.4434 62.3146 0.00240396 0.00286878 0.00629192 52
15460 58 C 12.8905 22.1726 61.1767 -0.000577301 -0.00292844 0.00319236 52
15461 59 C 12.861 21.4108 59.8232 0.0026034 0.00660681 0.00174684 52
15462 60 C 12.4424 22.2913 58.6404 -0.00144604 0.00157227 0.00234578 52
15463 61 C 12.6519 21.5748 57.3141 0.00213524 0.00518146 0.000384847 52
15464 62 C 12.179 22.3652 56.0631 -0.00195847 0.000146348 -0.00161113 52
15465 63 C 12.3818 21.5519 54.7769 0.00117741 -0.00289786 0.00223258 52
15466 64 C 12.0468 22.3012 53.472 -0.000218039 0.00165272 -0.000571235 52
15467 65 C 12.3359 21.3795 52.2944 0.000799418 0.00175189 -0.000842594 52
15468 66 C 11.7642 21.905 50.9513 -0.000630062 0.00210624 0.00313356 52
15469 67 C 12.3829 21.1822 49.6983 -0.00212149 0.00159281 -0.00300498 52
15470 68 C 13.8843 21.4913 49.4506 -0.00108297 -0.00384493 0.00232387 52
15471 69 F 12.042 25.8355 70.9269 -0.000135663 0.00101192 0.000993954 52
15472 70 C 9.67547 19.4599 62.9467 -0.00466569 -0.00507119 -0.00499392 52
15473 71 C 9.96201 19.9775 61.5391 -0.00188808 -0.000689342 -0.00255211 52
15474 72 C 9.0865 19.3424 60.3689 0.00032055 0.00175615 -0.000622795 52
15475 73 C 9.6149 19.7923 58.9743 -5.63971e-06 0.00167809 0.00285927 52
15476 74 C 8.69531 19.3744 57.8095 -0.00224584 -0.00469848 0.00227367 52
15477 75 C 9.29713 19.8397 56.4763 -0.000705183 0.00102011 0.000492272 52
15478 76 C 8.54468 19.2361 55.243 -0.00155247 -0.000325544 -0.0022998 52
15479 77 C 9.01109 19.738 53.8868 -0.000604588 0.00199983 0.00786867 52
15480 78 C 8.08522 19.2145 52.8009 0.000196614 0.0045215 0.00346955 52
15481 79 C 8.45465 19.6211 51.3462 -0.000312243 -0.00321614 -0.00122161 52
15482 80 C 9.60307 18.7665 50.7348 0.00173911 -0.00207568 -0.00100566 52
15483 81 C 9.73052 18.8823 49.2037 0.00135009 0.0042794 -0.00255493 52
15484 82 C 11.9714 25.509 62.6075 0.00250702 -0.00196801 0.00110296 52
15485 83 C 11.7173 25.5436 61.066 -0.000434391 0.00321195 -0.000768834 52
15486 84 C 12.7655 26.3479 60.3592 -0.00310355 -0.000350277 -0.00351761 52
15487 85 C 12.445 26.9166 58.939 -0.000939965 0.00252673 -0.000521305 52
15488 86 C 12.5612 25.9462 57.7456 0.000695108 -0.000478275 0.00300167 52
15489 87 C 12.358 26.6791 56.4202 0.000759754 0.000975892 0.00197418 52
15490 88 C 12.3468 25.8339 55.1413 -0.00360961 -0.00413285 0.00332464 52
15491 89 C 12.2661 26.6962 53.8576 -0.00191924 -0.00449798 0.000418597 52
15492 90 C 12.2445 25.8527 52.5752 -0.0030553 0.000367059 -0.00201841 52
15493 91 C 12.1284 26.7363 51.3275 0.000446115 0.000135224 -0.00124027 52
15494 92 C 11.9077 25.9511 50.0189 0.00180711 -0.00216976 0.000848146 52
15495 93 C 13.1423 25.2001 49.5986 0.00107761 -0.00228045 -0.00302389 52
15496 94 C 10.0825 25.653 82.5162 -0.00134333 0.0029426 -0.000860192 52
15497 95 C 10.0174 25.2629 84.0155 0.00268127 -0.000840096 0.00357707 52
15498 96 C 8.67804 25.5572 84.7294 0.00150635 -0.00171245 -0.000413903 52
15499 97 C 8.75125 25.2077 86.241 -0.00024278 -0.000753964 -0.0033869 52
15500 98 C 9.39863 26.2481 87.2029 -0.000672324 -0.00200362 -0.00123222 52
15501 99 C 9.00326 26.1394 88.72 -0.00538428 0.00177391 -0.00700101 52
15502 100 C 10.1154 25.6891 89.7515 -0.000493999 0.00289166 0.00443658 52
15503 101 C 9.70381 25.9052 91.2386 -0.000815227 -0.00154743 0.00421992 52
15504 102 C 10.815 25.3934 92.2132 0.000286835 0.00391083 0.00173831 52
15505 103 C 10.6117 25.923 93.659 -0.000445396 -0.00820772 0.00148402 52
15506 104 C 9.78409 25.0389 94.647 0.00357833 0.00044085 3.64029e-05 52
15507 105 C 9.93758 25.562 96.082 0.00148631 -0.00111959 8.54503e-05 52
15508 106 C 15.4819 29.3171 82.6503 -3.44776e-05 -0.00164827 -0.00420493 52
15509 107 C 16.8886 29.7795 82.9627 0.00144238 0.000120751 0.00241722 52
15510 108 C 17.0243 30.8527 84.1043 0.000391464 0.00017241 -0.0007621 52
15511 109 C 16.4387 30.4023 85.4326 -0.000997552 -0.000406749 0.00225641 52
15512 110 C 17.0529 31.1787 86.6577 0.00161913 -0.0041973 0.000202552 52
15513 111 C 16.5022 30.6825 87.9889 -0.0034642 -0.00173847 0.001527 52
15514 112 C 17.2114 31.2946 89.2396 -0.0028112 0.00487959 0.000290301 52
15515 113 C 16.7239 30.5948 90.5397 -0.000126366 0.00222121 -0.00153198 52
15516 114 C 17.5481 30.9059 91.8115 -0.00161614 0.00290985 0.00394586 52
15517 115 C 17.027 30.2505 93.0894 0.00513442 0.000350595 -0.000484908 52
15518 116 C 17.9319 30.5355 94.3288 -0.00191752 0.000251691 0.000908007 52
15519 117 C 17.4993 29.9398 95.6893 -0.00184498 0.000468353 -0.00159047 52
15520 118 C 16.1227 22.0452 82.8753 -0.00131753 0.00589865 -0.00340105 52
15521 119 C 15.9319 22.0466 84.4529 -0.00161329 0.00176852 0.000605728 52
15522 120 C 16.814 21.066 85.2164 -0.0039376 -0.00263037 -0.000200503 52
15523 121 C 17.1311 21.5853 86.6373 -0.0014757 0.000426287 -0.00265368 52
15524 122 C 16.0473 21.287 87.6719 -0.00189298 0.00281663 0.00441875 52
15525 123 C 16.3195 21.7714 89.14 -0.000583758 -0.00091851 -0.00148505 52
15526 124 C 17.7607 21.4202 89.5993 0.00146461 -0.00439621 -0.00309346 52
15527 125 C 17.9835 21.7172 91.0906 0.00161753 -0.00264647 -0.00280012 52
15528 126 C 17.0548 20.9733 92.0099 -0.00476771 0.00487373 -0.00233547 52
15529 127 C 17.6888 20.7836 93.4251 0.000193396 -0.00130325 -0.000515771 52
15530 128 C 17.4216 22.0167 94.3101 0.000775745 0.00289792 -0.00153668 52
15531 129 C 17.8511 21.7709 95.7491 0.00282036 -0.00425918 0.000817229 52
15532 130 F 12.818 26.8198 73.4587 -0.00275487 -0.00302824 0.000860948 52
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15534 132 H 16.6697 29.6478 77.8446 0.00402951 -0.00582011 -0.011675 52
15535 133 H 15.5553 27.729 76.6634 0.01058 -0.000509441 0.00167117 52
15536 134 H 9.37581 25.4856 80.1219 -0.00153003 -0.00914032 -0.00411009 52
15537 135 H 9.64028 25.5556 77.7358 -0.00264184 0.00533026 0.00235176 52
15538 136 H 11.8139 25.3297 76.6524 0.00721266 0.0107499 0.000639334 52
15539 137 H 16.7519 21.3971 80.5459 -0.00503892 -0.00487043 0.000464642 52
15540 138 H 16.726 21.3548 78.0982 0.00453245 -0.00876353 0.0174629 52
15541 139 H 15.7102 23.1381 76.8563 0.00241391 -0.004245 -0.00278534 52
15542 140 H 14.0212 21.8918 71.9846 -0.00889041 -0.00645665 -0.00574628 52
15543 141 H 14.8132 22.7017 74.1704 0.00766818 0.00859309 -0.00556855 52
15544 142 H 9.76113 18.6648 68.0365 -0.00971319 -0.0138695 -0.0217823 52
15545 143 H 9.67627 18.3376 65.5969 -0.00517282 0.00140079 0.000643904 52
15546 144 H 10.9312 20.5404 69.0528 0.0106526 -0.00926574 0.00021454 52
15547 145 H 16.9415 22.3981 66.7766 0.000358634 0.000948752 0.00161138 52
15548 146 H 16.5892 22.4333 64.3007 0.00169475 -0.0160907 -0.00238301 52
15549 147 H 15.0259 22.6208 68.2851 0.0118349 0.0142148 -0.00127239 52
15550 148 H 9.86504 26.8071 67.2808 0.00470777 -0.00592161 0.00782144 52
15551 149 H 9.75155 26.6255 64.7284 0.00129864 0.00419853 -0.00104243 52
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15553 151 H 10.9566 24.9989 68.5771 0.00100435 0.0069486 -0.00449298 52
15554 152 H 14.2262 25.6264 81.6677 -0.000779095 0.0196444 -0.000245205 52
15555 153 H 14.2892 20.672 61.9308 0.00334458 0.00287958 0.0079416 52
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15558 156 H 11.8709 22.4058 61.5075 -0.000446021 0.0112036 -0.00641239 52
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15560 158 H 13.8331 20.9482 59.6125 -0.00475478 0.00368754 -0.0259077 52
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15562 160 H 11.406 22.6295 58.7622 0.00312773 0.0128631 0.0100491 52
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15564 162 H 13.7199 21.3327 57.2492 0.00405574 0.0119924 0.0065298 52
15565 163 H 12.8012 23.2687 56.0568 0.00334135 -0.00346948 0.00182326 52
15566 164 H 11.1366 22.6867 56.1801 -0.00297803 -0.00282947 -0.00254524 52
15567 165 H 11.6868 20.7087 54.8738 -0.00431514 0.00175673 0.00346733 52
15568 166 H 13.4025 21.15 54.7681 0.0027638 0.000881568 0.0126988 52
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15575 173 H 11.8334 21.5539 48.8247 0.00318899 0.00780091 -0.00372183 52
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15577 175 H 14.2341 20.9119 48.5873 0.0125419 0.00120921 0.00447187 52
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15621 219 H 13.1566 25.2501 52.4832 0.000254404 0.00366843 0.0092881 52
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15627 225 H 13.9357 25.8464 49.2035 0.00269077 0.00693614 0.0153562 52
15628 226 H 13.5189 24.5392 50.3891 0.00438181 0.00568783 0.00205075 52
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15633 231 H 10.8039 25.7286 84.6221 0.00372974 -0.0119374 0.0107462 52
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15651 249 H 10.1071 23.9905 94.6509 0.0108707 0.00266981 -0.00869676 52
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15654 252 H 9.38079 24.9187 96.7746 0.00604988 0.000925728 0.00565877 52
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15665 263 H 15.4199 30.85 88.0529 -0.00202825 0.0038306 0.0112248 52
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15670 268 H 16.7357 29.4997 90.4761 0.00717972 0.00136753 0.0138186 52
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15687 285 H 18.0584 21.0712 86.9189 0.00783034 0.0207182 0.00377742 52
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15706 2 C 20.1568 21.8943 77.7648 -0.00123117 -0.000440988 0.0063026 53
15707 3 C 19.5731 20.777 77.2015 0.00265067 0.000202956 0.00612742 53
15708 4 C 18.8866 19.8768 78.0123 0.00341605 -0.00504995 -0.000374127 53
15709 5 C 18.818 20.0407 79.4252 -0.00353544 0.000741095 -0.000466299 53
15710 6 C 19.4263 21.1518 79.9833 -0.00416096 0.000883098 0.00208185 53
15711 7 C 14.3166 18.6294 79.2901 -0.00141212 0.00113482 0.00356448 53
15712 8 C 14.3703 18.5905 77.9048 0.00389338 -0.000297378 -0.00326056 53
15713 9 C 15.5954 18.573 77.2729 -0.000719312 -0.00142946 -0.00178127 53
15714 10 C 16.7842 18.6233 78.0644 -0.000801752 8.65653e-05 0.00069116 53
15715 11 C 16.7354 18.7527 79.4868 -0.000322975 -0.000894249 0.0013216 53
15716 12 C 15.4672 18.7519 80.0975 0.00171929 -0.00289231 -0.0023826 53
15717 13 C 20.1673 15.4778 79.5984 0.00386326 0.00111602 0.000140877 53
15718 14 C 20.0847 15.3555 78.2198 0.00175192 0.00262984 -0.00300118 53
15719 15 C 19.4994 16.4194 77.4879 -0.000408823 0.00441692 0.000210712 53
15720 16 C 18.8773 17.4591 78.1788 -0.000141409 -0.0025373 0.000436866 53
15721 17 C 18.2009 18.6045 77.4858 -0.00315387 0.0029394 0.00257762 53
15722 18 O 19.6734 16.6269 81.7249 -0.000578683 -0.00444462 -0.00259183 53
15723 19 O 15.325 18.826 81.4977 -0.00022402 0.00101062 -0.00301316 53
15724 20 O 19.3182 21.3965 81.3704 1.91507e-05 -0.000746951 -0.00211348 53
15725 21 C 19.559 16.5805 80.323 -0.00092525 -0.00318092 -0.00363974 53
15726 22 C 18.1702 18.5078 76.0484 0.000677471 0.00469832 -0.00173243 53
15727 23 C 18.1239 18.3029 74.8564 0.00390178 -0.00130458 -0.000265454 53
15728 24 C 17.9446 17.8326 73.5312 0.000575292 -0.00256528 -0.00179518 53
15729 25 C 17.6309 18.7704 72.5318 4.82924e-06 -0.0020534 -0.00213004 53
15730 26 C 17.2233 18.3338 71.2933 -0.00247512 -0.00140025 -0.00592059 53
15731 27 C 17.0706 16.965 71.0598 0.000318423 0.00084184 -0.000470194 53
15732 28 C 17.3353 16.0266 72.0528 0.000189635 0.00436627 -0.00342742 53
15733 29 C 17.8193 16.4565 73.3024 -0.00132909 -0.0040562 -0.00448081 53
15734 30 C 16.6644 16.4976 69.8011 0.00345159 0.00106906 0.00108187 53
15735 31 C 16.4473 16.1454 68.6582 0.000965671 0.000911513 0.00261282 53
15736 32 C 14.4018 12.5097 67.0349 0.00237524 0.00142566 0.00296518 53
15737 33 C 14.4426 12.3569 65.6203 -0.000492517 0.000388434 0.00143741 53
15738 34 C 15.0395 13.3114 64.7668 -0.00185546 0.00181738 -0.00162648 53
15739 35 C 15.5041 14.4799 65.3547 0.000288284 -0.000489576 -0.00271658 53
15740 36 C 15.5663 14.6107 66.7772 0.00451161 -0.00227782 -0.0010692 53
15741 37 C 14.9457 13.665 67.5994 -0.00465375 0.0047394 -0.00547828 53
15742 38 C 16.2764 15.9047 67.2103 -0.00235189 -0.000432977 -0.0016826 53
15743 39 C 20.0627 15.6668 66.3358 -0.00414484 -0.000260835 -0.00214795 53
15744 40 C 19.9485 15.5346 64.9329 -0.000726321 -0.0012969 0.00126396 53
15745 41 C 18.6997 15.5659 64.3204 0.002438 -0.0004627 0.00202114 53
15746 42 C 17.5341 15.6721 65.0914 -0.00296184 0.00414253 -0.00261879 53
15747 43 C 17.6325 15.8178 66.4958 -0.00380461 -0.000982966 -0.000466291 53
15748 44 C 18.8917 15.803 67.1116 -0.0013781 0.00145739 -0.00201874 53
15749 45 C 14.2466 19.1126 66.4598 -0.000465455 0.0032306 0.00326394 53
15750 46 C 14.2054 19.0339 65.0613 0.00326553 -0.00511402 -0.00326804 53
15751 47 C 14.7357 17.9248 64.3753 -0.000949995 -0.000475712 -0.00234351 53
15752 48 C 15.3869 16.9144 65.1393 -0.00113667 -0.00603847 -0.00257248 53
15753 49 C 16.0809 15.6717 64.5807 -0.00131284 0.00252872 -0.00218542 53
15754 50 C 15.4805 17.0451 66.5403 -0.00158114 7.16748e-05 0.00183173 53
15755 51 C 14.9026 18.1518 67.2208 0.00031274 -0.00398486 -0.00253521 53
15756 52 O 18.6099 15.5426 62.9584 0.000425 0.00205623 0.000580849 53
15757 53 O 15.1651 13.1605 63.4262 0.00176472 0.004446 0.00571205 53
15758 54 O 14.6462 17.8482 63.0107 -0.00483831 -0.00110276 0.00176656 53
15759 55 C 18.122 18.8506 80.1407 -0.000443969 0.00480486 -0.00384172 53
15760 56 C 18.9011 17.5765 79.6175 -0.000560926 0.0020011 0.0020357 53
15761 57 C 18.1974 16.7368 62.2825 0.00557712 0.00344759 -0.00317864 53
15762 58 C 17.563 16.35 60.953 0.00257027 0.00019754 0.000898644 53
15763 59 C 18.561 16.037 59.8143 0.000458122 -0.00232493 -0.00515225 53
15764 60 C 18.183 14.7502 59.0252 -6.12623e-05 -0.00597049 -0.000726577 53
15765 61 C 16.7337 14.66 58.4938 0.00104809 -0.00120731 0.000505218 53
15766 62 C 16.5646 15.2264 57.0959 0.00219009 0.00198997 0.00127487 53
15767 63 C 17.2434 14.4605 55.9401 0.0021419 -0.0012957 -0.000340921 53
15768 64 C 16.7783 15.0855 54.6127 0.00280298 0.00157398 -0.00412102 53
15769 65 C 17.3961 14.3836 53.3832 -0.000900474 0.00323229 0.00139244 53
15770 66 C 16.8999 15.0898 52.1288 0.000693728 -0.00148011 6.43991e-05 53
15771 67 C 17.5301 14.466 50.8064 0.00261077 0.00404394 -0.00295385 53
15772 68 C 17.0218 15.1863 49.5424 -0.00341557 -0.00554378 -0.000241462 53
15773 69 F 17.0474 19.2442 70.2964 -0.00131461 -0.00181709 -0.000632961 53
15774 70 C 16.0707 12.1151 62.9513 0.000892747 0.00240155 0.00251916 53
15775 71 C 16.7829 12.6408 61.6589 -0.00370467 -0.00308173 -0.00355387 53
15776 72 C 16.974 11.5815 60.5426 -0.00199063 0.00230178 -0.00314818 53
15777 73 C 17.3106 10.162 61.0473 0.000575261 0.00318312 0.0070058 53
15778 74 C 18.0147 9.41119 59.9309 0.00348878 0.000697956 0.00411317 53
15779 75 C 17.1995 9.2259 58.6458 0.000772336 0.00460466 0.00106859 53
15780 76 C 17.5244 10.1479 57.4244 0.00350766 0.00297859 -0.000531937 53
15781 77 C 16.754 9.75266 56.1383 0.000157377 -0.00138259 -0.000415399 53
15782 78 C 17.346 10.3516 54.8453 -0.00118295 -0.00547153 0.000364045 53
15783 79 C 16.6389 9.82509 53.5661 -0.000888475 -0.00231301 0.00242022 53
15784 80 C 17.2333 10.3781 52.2583 0.00195458 0.00241006 -0.00195368 53
15785 81 C 16.7055 9.62832 51.051 0.000202283 -0.00230027 0.00384954 53
15786 82 C 13.3698 17.4965 62.4306 -0.00256076 0.000833331 0.000195553 53
15787 83 C 13.2321 17.8841 60.9736 -0.00115617 -0.00282448 -0.000884293 53
15788 84 C 13.9292 17.006 59.9361 0.00308735 -0.00226086 0.00455457 53
15789 85 C 13.9482 17.5027 58.4827 0.00272446 -0.000507706 -0.000433843 53
15790 86 C 12.7471 17.0496 57.6554 7.80299e-05 -0.00163911 -0.00153193 53
15791 87 C 12.9159 17.4777 56.1748 0.00432997 -0.00107437 0.00306536 53
15792 88 C 11.8109 16.9198 55.2595 0.00101239 2.23175e-05 0.00561304 53
15793 89 C 11.9018 17.4606 53.8411 -0.00016283 -0.00233695 0.00113724 53
15794 90 C 13.0329 16.8538 53.0534 0.00065697 0.00168006 0.0041988 53
15795 91 C 13.0399 17.3857 51.5748 0.000797699 -0.00173646 0.00127742 53
15796 92 C 14.0666 16.7314 50.6415 -0.00272751 -0.00311816 0.00172952 53
15797 93 C 13.9178 17.2946 49.2321 -0.000248605 -0.00321636 0.00190556 53
15798 94 C 13.984 18.9481 82.0622 0.00207061 -7.97128e-05 0.000161347 53
15799 95 C 13.9034 18.966 83.5929 6.14436e-05 0.00127743 -0.00354131 53
15800 96 C 12.5285 19.3264 84.1151 -0.00356964 1.63623e-05 0.00208794 53
15801 97 C 12.2026 18.8828 85.5576 -0.00297587 -0.00030459 0.000581551 53
15802 98 C 13.2135 19.1783 86.6279 7.25398e-05 -0.000894937 0.00108916 53
15803 99 C 12.5702 18.8723 87.998 0.00114307 0.00164511 -0.00192425 53
15804 100 C 13.499 19.1772 89.1873 0.00261676 -0.00366667 -0.00150665 53
15805 101 C 12.6717 19.0993 90.5116 -0.00117594 0.0013325 0.00487721 53
15806 102 C 13.5196 18.9945 91.7961 0.00108539 0.00155418 -4.13719e-05 53
15807 103 C 12.5834 19.4506 92.9496 0.0039918 0.00360504 0.000193988 53
15808 104 C 13.0475 19.0702 94.388 0.00308917 -0.00169618 0.0016681 53
15809 105 C 14.5152 19.2779 94.6995 0.0010936 0.00362563 0.00637952 53
15810 106 C 19.7956 22.6325 81.9501 0.00318059 0.00313683 0.00225071 53
15811 107 C 19.6016 22.64 83.4651 0.00353858 0.00103851 0.000446754 53
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15827 123 C 21.2268 14.3808 88.3476 -0.00119503 -0.000828119 0.000859836 53
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16009 3 C 23.545 27.5755 77.3065 -0.000630969 0.000752018 0.00602311 54
16010 4 C 22.8885 26.6366 78.14 -0.00224275 0.000501178 -0.00295013 54
16011 5 C 22.8501 26.8204 79.5552 -0.00291005 -0.000683151 -0.00324464 54
16012 6 C 23.4323 27.9569 80.1484 -0.00167155 -0.000105736 0.000502205 54
16013 7 C 18.3364 25.5407 79.6878 0.00498183 0.00144423 0.00123047 54
16014 8 C 18.3328 25.3941 78.2919 0.000707285 0.000727599 0.00158635 54
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16017 11 C 20.7514 25.6117 79.7105 0.000291726 -0.0015657 -0.00228085 54
16018 12 C 19.5079 25.7095 80.4243 -0.00256287 -0.00112575 0.0011342 54
16019 13 C 23.8796 22.1494 79.9385 8.8861e-05 0.00166012 -8.98785e-05 54
16020 14 C 23.9174 22.0707 78.5262 -0.000387268 -0.00175748 0.000199936 54
16021 15 C 23.436 23.1154 77.7797 -0.00144255 0.00156411 -0.00238655 54
16022 16 C 22.797 24.1909 78.3944 -0.00222194 -0.00190369 0.00204867 54
16023 17 C 22.1455 25.3794 77.6351 -0.00211586 -0.00235176 -0.0033254 54
16024 18 O 23.4323 23.2845 81.9965 0.00222297 0.00132699 0.000878452 54
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16026 20 O 23.3213 28.2355 81.472 -0.00241043 0.00098374 0.00177026 54
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16028 22 C 22.1027 25.1575 76.1609 -0.00150176 0.000160572 0.00201394 54
16029 23 C 21.9501 24.8489 74.9739 -0.000482093 -0.0011663 0.00634802 54
16030 24 C 21.5711 24.3774 73.7002 0.000930818 0.000847423 0.00318472 54
16031 25 C 21.3627 22.9731 73.5055 -0.000533509 0.00150454 0.000150002 54
16032 26 C 20.9604 22.4598 72.2479 0.00111192 0.00122743 -0.000133409 54
16033 27 C 20.71 23.3859 71.2174 -0.000441155 -0.00377818 0.00274146 54
16034 28 C 21.0335 24.7528 71.3737 0.00550833 -0.00105442 -0.000654745 54
16035 29 C 21.3982 25.2477 72.6431 0.00174557 -0.00225606 -0.00319302 54
16036 30 C 20.4074 22.9347 69.9068 -0.00144196 -0.00165738 -0.00279207 54
16037 31 C 20.1794 22.6112 68.7598 -0.00151873 -0.00218134 -0.00271524 54
16038 32 C 18.1379 19.1441 66.8512 -0.000643398 -0.000110825 -0.00177611 54
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16401 93 C 20.1698 17.2333 50.4448 -0.00178981 0.00123343 0.000297097 55
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16410 102 C 21.0974 19.3842 92.0035 -0.00240491 2.92763e-05 0.00154478 55
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16434 126 C 29.8386 15.1862 92.4238 0.00578466 0.00349863 0.00362565 55
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16538 230 H 20.0903 19.3536 83.0979 -0.00696963 -0.00754132 0.00415729 55
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16542 234 H 19.1343 19.2218 85.2136 0.000556873 -0.00244341 -0.00350175 55
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16544 236 H 20.2755 20.43 87.1321 -0.000818174 0.00186171 0.00772457 55
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16547 239 H 22.0073 18.8038 87.8056 0.00100877 0.000110254 0.00877325 55
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16551 243 H 22.54 18.8334 90.5274 0.00294822 -0.00224867 -0.00397945 55
16552 244 H 21.4234 20.4316 91.9954 -0.00181307 -0.000231215 -0.0064227 55
16553 245 H 20.0074 19.3696 92.1267 -0.00269855 0.0142042 0.000651835 55
16554 246 H 21.5106 17.6687 93.3215 0.00235245 0.000946292 0.00900451 55
16555 247 H 22.8993 18.7747 93.1265 -0.00144954 0.010719 -0.00117182 55
16556 248 H 21.599 20.5385 94.4387 -0.00215539 -0.000637938 -0.00193938 55
16557 249 H 20.3021 19.363 94.581 -0.00259335 0.00382556 0.00212343 55
16558 250 H 21.8779 17.8608 95.9495 0.00106198 0.0029029 0.0191778 55
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16560 252 H 21.6953 19.4714 96.6905 0.000656679 0.00796709 -0.00178302 55
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16562 254 H 27.2127 23.5837 82.344 0.0012014 0.0030911 0.00277732 55
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16566 258 H 28.2855 24.9003 84.1616 0.000402982 -0.000187434 0.00342519 55
16567 259 H 28.6455 25.1189 86.4523 -0.00119752 0.00185217 0.001349 55
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16572 264 H 29.6234 21.852 88.4898 0.0187737 0.0177976 0.0114153 55
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16575 267 H 27.94 22.1519 90.715 0.00501745 -0.00257547 0.00836817 55
16576 268 H 29.707 22.1988 90.7936 0.00503147 0.011448 0.00258549 55
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16579 271 H 28.3731 22.0655 93.3432 -0.0106501 0.0076311 0.0058699 55
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16583 275 H 30.3874 22.4389 95.7196 0.00338946 -0.000523913 0.0177938 55
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16595 287 H 28.7348 16.1014 87.2175 0.00183442 0.00293006 0.0081151 55
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16597 289 H 29.3779 13.4873 88.7002 -0.00095595 -0.00272801 0.00385739 55
16598 290 H 28.3263 15.3662 90.181 0.000407712 -0.00486608 -1.10943e-05 55
16599 291 H 29.8389 16.2355 89.8509 0.0115233 -0.00413373 -0.0086403 55
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16601 293 H 29.7443 13.4382 91.1611 0.00339292 0.00407142 -0.00285025 55
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16607 299 H 30.8631 14.52 95.7326 -0.00390286 -0.00622782 -0.00172686 55
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16611 1 C 31.5453 28.9117 80.0137 0.00226914 -0.00211473 0.000228422 56
16612 2 C 31.6095 28.8664 78.6177 -0.000155433 -0.0014278 -0.000686994 56
16613 3 C 30.9843 27.8635 77.9219 0.00294047 -0.00289389 -0.00056605 56
16614 4 C 30.387 26.8144 78.6693 0.00134162 0.0014853 0.000366125 56
16615 5 C 30.4043 26.8073 80.0875 -0.00218355 -0.000370499 0.00350016 56
16616 6 C 30.9245 27.8951 80.7753 -0.00407605 0.00361276 -0.00209092 56
16617 7 C 25.9016 25.6607 79.9599 -0.000136641 -0.000921343 0.000212713 56
16618 8 C 25.9543 25.5134 78.5776 -0.00617904 5.17062e-06 -0.00233384 56
16619 9 C 27.1685 25.3898 77.9209 0.000146227 0.002571 0.00130767 56
16620 10 C 28.3552 25.5459 78.6777 0.00190277 -0.000583423 -0.000237799 56
16621 11 C 28.3121 25.6559 80.0807 0.00249498 -0.00448255 -0.00417554 56
16622 12 C 27.0756 25.7184 80.7536 0.00188967 -0.00363007 0.000720329 56
16623 13 C 31.6809 22.2427 80.1004 -0.00171245 0.000754532 0.00113044 56
16624 14 C 31.6492 22.2581 78.7047 0.000577652 0.000880563 -0.0006757 56
16625 15 C 31.1178 23.3378 78.031 -0.000158762 0.00133478 -0.000416337 56
16626 16 C 30.5145 24.3615 78.7493 -0.00229157 -0.00575924 -0.000552875 56
16627 17 C 29.738 25.5391 78.0987 -6.79842e-05 -0.00360772 0.00270747 56
16628 18 O 31.3123 23.3017 82.2897 0.00329825 0.00322932 0.00131828 56
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16630 20 O 30.8261 27.9227 82.1458 -0.00211436 0.00505309 0.000979579 56
16631 21 C 31.1518 23.3003 80.886 -0.00258221 -0.00290507 -0.000957238 56
16632 22 C 29.7729 25.4752 76.6465 -0.00218096 3.34528e-05 0.000655547 56
16633 23 C 29.6692 25.2221 75.4549 -0.00162229 0.000138039 -0.0021265 56
16634 24 C 29.4005 24.7131 74.1826 -0.00010938 0.00348481 -0.00144081 56
16635 25 C 29.0067 25.5924 73.1541 0.00545217 0.00126595 -0.00531113 56
16636 26 C 28.6826 25.0921 71.8795 -0.0039962 -0.00152012 0.00365991 56
16637 27 C 28.6805 23.6813 71.675 0.00219499 0.00165105 -0.00141371 56
16638 28 C 29.0859 22.8192 72.7101 0.00199328 -0.000301221 0.00150062 56
16639 29 C 29.4672 23.337 73.946 -0.00177998 -0.001213 0.00192709 56
16640 30 C 28.2786 23.1539 70.4247 0.0025332 -0.00307341 0.00355551 56
16641 31 C 28.0607 22.8281 69.2873 -8.1733e-05 -0.00132795 -0.00103537 56
16642 32 C 25.921 19.3688 67.5007 -0.00254357 0.00113608 -0.00540464 56
16643 33 C 25.9002 19.258 66.0845 -0.000218809 0.00444518 -0.00224354 56
16644 34 C 26.5255 20.2641 65.3317 0.000143148 0.00321024 -0.00314198 56
16645 35 C 27.0865 21.3601 65.9591 0.000540936 -0.00112856 -0.00401736 56
16646 36 C 27.1509 21.4349 67.3509 -0.000612281 0.000305682 -0.000514094 56
16647 37 C 26.59 20.4349 68.1288 -0.00404514 0.000866214 -0.00124 56
16648 38 C 27.9226 22.6568 67.8317 -0.00827402 0.00384071 -0.00168046 56
16649 39 C 31.7014 22.6683 66.8703 -0.00197321 0.004605 -1.8357e-05 56
16650 40 C 31.5673 22.6951 65.4678 -0.00128629 -0.00124394 0.00234171 56
16651 41 C 30.2869 22.6456 64.9274 -0.00212617 0.00526711 -0.00325662 56
16652 42 C 29.1661 22.5709 65.7534 0.00451015 0.000906153 0.00222606 56
16653 43 C 29.2898 22.5841 67.1542 0.00355861 0.00116279 0.000260044 56
16654 44 C 30.5879 22.6352 67.7039 -0.00586356 -0.00111104 -0.000937017 56
16655 45 C 26.0338 25.9681 67.1093 0.00174514 0.00128837 0.00132473 56
16656 46 C 26.0623 25.9627 65.7043 -0.00254082 -0.00105901 0.00143461 56
16657 47 C 26.6149 24.8532 65.0334 0.00054749 -0.00500419 -0.0069826 56
16658 48 C 27.1452 23.7913 65.7805 0.000120803 -0.00220659 -0.000956258 56
16659 49 C 27.7653 22.5098 65.2064 0.00242636 -0.00209358 -0.000750618 56
16660 50 C 27.2321 23.8769 67.1835 -0.0045859 -0.000135016 0.00336112 56
16661 51 C 26.657 24.9661 67.8599 0.000251816 0.000899803 -0.000108631 56
16662 52 O 30.1189 22.8337 63.6082 -0.00445614 0.00170434 -0.00711881 56
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16664 54 O 26.5682 24.9468 63.6576 -0.00136953 0.0014115 0.0024282 56
16665 55 C 29.7155 25.6064 80.7436 0.000978305 -0.000595861 0.000815959 56
16666 56 C 30.488 24.3569 80.1951 -0.00279327 -3.96119e-05 0.00306099 56
16667 57 C 30.5619 21.8547 62.6782 0.000168661 -0.0021674 -0.00325579 56
16668 58 C 29.6247 22.0666 61.4568 -0.00207339 -0.00101555 -0.00589326 56
16669 59 C 30.137 21.5115 60.1419 -0.00440239 0.00423896 0.00123728 56
16670 60 C 29.1589 21.8544 58.9865 0.0016029 -0.00660528 0.00445205 56
16671 61 C 29.7085 21.3976 57.6502 -0.00534856 -0.000437653 0.00582269 56
16672 62 C 28.6643 21.7624 56.5554 -0.00089286 0.00223804 -0.000397995 56
16673 63 C 29.1492 21.4386 55.1223 -0.0031268 0.00156511 -0.00340169 56
16674 64 C 28.0074 21.627 54.1073 -9.47017e-05 0.00243747 0.000236127 56
16675 65 C 28.7185 21.7705 52.7385 0.000101327 4.03457e-05 -0.000279212 56
16676 66 C 27.7621 21.7532 51.5715 -0.000457214 -0.00115909 0.00141716 56
16677 67 C 28.5391 21.8491 50.2562 -0.00216468 -0.00532678 -0.00269055 56
16678 68 C 27.5636 21.8432 49.0633 0.00148641 -0.00126001 0.00268955 56
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16680 70 C 25.4362 20.0645 63.1451 0.00222141 -0.000152016 -0.000586536 56
16681 71 C 25.4696 21.1728 62.0922 0.000907859 0.00269808 0.00332233 56
16682 72 C 25.9792 20.6937 60.6821 -0.00234207 0.0019873 0.0027276 56
16683 73 C 25.0668 19.6536 59.9998 -0.00144434 0.000354152 0.000411474 56
16684 74 C 25.4296 19.5295 58.5151 0.00428573 -0.00614123 0.00231333 56
16685 75 C 24.9274 20.6863 57.6059 -0.00263913 -0.00243251 -0.00229045 56
16686 76 C 24.8136 20.2085 56.1439 -0.00093037 0.000573335 -0.00015063 56
16687 77 C 24.1033 21.2688 55.2872 -0.000893885 -0.00173787 -0.00112309 56
16688 78 C 23.6311 20.838 53.8857 -0.00157891 0.000988458 0.00553523 56
16689 79 C 24.8258 20.3985 53.0394 0.00112925 0.00193607 0.000337504 56
16690 80 C 24.4869 19.9871 51.6094 -0.00132642 0.00133089 0.00542052 56
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16692 82 C 27.6882 24.722 62.7931 0.00379752 -0.00339199 -0.000779688 56
16693 83 C 27.8509 25.855 61.7716 -0.00144288 0.000330074 0.000961278 56
16694 84 C 27.6502 25.4491 60.2796 -0.0017199 -0.00448096 0.00463605 56
16695 85 C 28.4713 26.3025 59.2853 -0.00322969 -0.000680542 -0.00339643 56
16696 86 C 28.2703 25.9274 57.799 -0.00268788 0.0021567 -0.000757075 56
16697 87 C 29.3747 26.4876 56.8667 5.29564e-05 -0.000536376 -0.00373168 56
16698 88 C 28.9179 26.6467 55.4021 0.00362578 -0.00215285 0.00195721 56
16699 89 C 28.6208 25.2907 54.7516 -0.00237152 0.0022093 -0.00103456 56
16700 90 C 27.8936 25.4264 53.4221 -0.00338172 -0.0068768 -0.000415819 56
16701 91 C 28.806 25.7409 52.2238 0.00357553 -0.000760414 -0.00181725 56
16702 92 C 28.0154 25.7411 50.918 -0.00102431 -0.000745403 -0.00270287 56
16703 93 C 28.8709 25.9252 49.6616 -0.00710988 -0.00220019 -0.00272294 56
16704 94 C 25.6677 25.8272 82.7376 -0.00210538 -0.000731232 -0.000909773 56
16705 95 C 25.7298 25.9026 84.2902 0.00153021 -0.000904325 0.00126395 56
16706 96 C 24.3454 26.08 84.9157 0.00506426 0.00112678 -0.000307142 56
16707 97 C 24.3584 26.2671 86.4572 -0.00587698 -0.00340732 -0.000699913 56
16708 98 C 24.7981 25.0415 87.2701 0.000680325 0.000410318 0.00326015 56
16709 99 C 24.5026 25.1575 88.7673 -0.00289056 -0.00346637 0.000437421 56
16710 100 C 24.9307 26.5146 89.3544 0.000491429 -0.00337614 -0.00252024 56
16711 101 C 25.4484 26.4039 90.7631 0.00289069 0.00177516 0.00392582 56
16712 102 C 24.4166 25.9763 91.7695 -0.001162 0.0039482 0.000351264 56
16713 103 C 25.047 25.9029 93.1556 -0.00319248 0.00104779 -0.00453567 56
16714 104 C 24.0319 25.5689 94.1931 0.00413788 0.000217132 -0.00031913 56
16715 105 C 24.6963 25.2646 95.5701 -0.00389055 0.00373331 0.000500781 56
16716 106 C 30.8832 29.1076 82.9761 -0.00182292 0.00159083 0.00447672 56
16717 107 C 32.2863 29.5161 83.3429 -0.00153231 0.00175911 0.00026971 56
16718 108 C 32.2646 30.4899 84.5556 0.00317788 0.000207945 0.0055824 56
16719 109 C 32.1357 29.7768 85.9075 0.00141651 0.00114682 -0.00227895 56
16720 110 C 32.2963 30.6927 87.1679 0.00182134 -0.00446874 -0.00136687 56
16721 111 C 32.2948 29.8756 88.4856 0.00109949 9.96387e-05 -0.00129683 56
16722 112 C 32.2171 30.7609 89.7391 0.00601318 -0.00656809 -0.00031425 56
16723 113 C 32.4379 29.8489 90.9832 0.00344285 0.00145076 0.00187009 56
16724 114 C 32.272 30.6203 92.2967 0.00175241 0.00299783 0.00418322 56
16725 115 C 32.639 29.7443 93.5081 0.00169366 -0.00306751 -0.00198466 56
16726 116 C 32.4175 30.549 94.8088 0.000953314 -0.0014007 -0.00065585 56
16727 117 C 32.7447 29.7051 96.0093 -0.00168406 -0.000493879 0.00403794 56
16728 118 C 32.3465 22.4487 82.8749 -0.00207413 0.000589881 -0.000177918 56
16729 119 C 32.2662 22.2673 84.4083 -0.00130515 0.000797138 -0.00281551 56
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16731 121 C 33.4139 20.7987 86.2298 -0.00105635 0.00430177 0.001897 56
16732 122 C 32.6634 21.5089 87.3958 0.00109112 -0.00326282 0.00279454 56
16733 123 C 33.2482 21.1766 88.7956 0.000377193 0.00417918 0.000983415 56
16734 124 C 32.749 22.1868 89.853 -0.000320486 0.0023059 0.000369639 56
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16736 126 C 32.6165 20.6658 91.9242 -0.00353129 0.000194255 0.00433017 56
16737 127 C 33.1027 20.3984 93.3624 0.00104871 0.000273757 0.00181867 56
16738 128 C 32.9119 21.5931 94.3078 0.000784499 0.00303311 0.00478312 56
16739 129 C 33.5051 21.249 95.7067 0.00148367 -0.00272763 0.00146045 56
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16799 189 H 25.6272 21.5265 57.693 -0.00115897 -0.00318055 -0.00701391 56
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16801 191 H 24.2962 19.2412 56.1336 0.0152537 -0.00811985 0.00232301 56
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16810 200 H 22.5074 19.1124 51.9745 -0.000240821 -0.00780239 -0.00376608 56
16811 201 H 23.4868 18.3403 50.6371 0.00345218 0.00422254 -0.00336326 56
16812 202 H 23.8696 18.0589 52.3363 -0.00632365 -0.00671202 -0.00382439 56
16813 203 H 28.5844 24.7153 63.4256 -0.000463672 -0.019008 0.00508351 56
16814 204 H 27.5959 23.759 62.2759 0.000655989 -0.0114644 0.014831 56
16815 205 H 27.1566 26.654 62.0596 -0.00675985 -0.00355907 -0.00109371 56
16816 206 H 28.8547 26.2824 61.8858 -0.00956336 0.0198952 -0.000886992 56
16817 207 H 27.8496 24.3864 60.094 -0.00484813 -0.00601493 0.0100858 56
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16819 209 H 28.2709 27.3771 59.3776 -0.00920571 -0.00253099 0.00502536 56
16820 210 H 29.5443 26.1794 59.4777 -0.00443825 0.00185154 0.0048953 56
16821 211 H 28.2579 24.8328 57.728 -0.00212359 0.00108948 0.0155165 56
16822 212 H 27.2771 26.2291 57.4442 0.000253312 0.0112513 -0.00120746 56
16823 213 H 29.6766 27.4862 57.2058 0.00954558 -0.00560778 0.00271082 56
16824 214 H 30.2736 25.8595 56.8938 -0.00206121 -0.0034584 -0.00142408 56
16825 215 H 28.0277 27.2867 55.3641 0.00043078 -0.00698164 -0.00432687 56
16826 216 H 29.7463 27.1595 54.8979 0.00131833 0.00803275 0.00850178 56
16827 217 H 29.518 24.6732 54.6209 0.00336573 0.00969201 0.00307786 56
16828 218 H 27.9776 24.7334 55.4437 0.000977275 -0.00932173 -0.0072147 56
16829 219 H 27.3597 24.5031 53.1656 -0.0164459 0.0015125 -0.00349094 56
16830 220 H 27.12 26.1851 53.5937 -0.00830069 -0.0108593 -0.00504339 56
16831 221 H 29.323 26.6981 52.3649 0.000158105 -0.00100137 0.0123374 56
16832 222 H 29.571 24.957 52.1617 -0.00758595 -0.0101153 -0.0212248 56
16833 223 H 27.4977 24.7802 50.8084 0.0179706 -0.0108509 -0.00401162 56
16834 224 H 27.2764 26.5516 50.905 0.000349616 0.000569919 0.00155543 56
16835 225 H 29.6277 25.1321 49.6209 0.00166745 0.00511289 0.017586 56
16836 226 H 28.1929 25.841 48.8034 -0.0193866 -0.00266008 0.00698795 56
16837 227 H 29.3668 26.9032 49.692 -0.0114736 3.52806e-05 -0.00347985 56
16838 228 H 25.0237 26.6247 82.3469 -0.00122149 0.0007792 0.000726479 56
16839 229 H 25.0814 24.9497 82.4381 -0.00218933 -0.000843123 -0.000417486 56
16840 230 H 26.1332 24.9396 84.6268 0.000434824 -0.00474587 -0.00835259 56
16841 231 H 26.4343 26.7011 84.5536 -0.00747432 0.00614597 0.00393604 56
16842 232 H 23.7571 26.8922 84.4711 -0.00296734 -0.000936825 0.00648256 56
16843 233 H 23.7086 25.2143 84.6956 -0.00293231 0.00626029 0.00260046 56
16844 234 H 25.0328 27.0865 86.735 -0.0228228 0.0165564 -0.0185923 56
16845 235 H 23.3805 26.6044 86.8223 -0.0108961 -0.014408 -0.00404384 56
16846 236 H 24.2741 24.1612 86.8777 0.00336428 -0.00139854 0.00373606 56
16847 237 H 25.8781 24.8722 87.1786 0.000324026 0.00479819 -0.00889522 56
16848 238 H 23.4282 25.079 88.9746 -0.00257431 0.0014946 0.00400512 56
16849 239 H 25.0028 24.3514 89.3181 0.00068513 -0.0110187 -0.0139032 56
16850 240 H 25.7594 26.9543 88.7858 0.00567427 -0.00148776 0.00647701 56
16851 241 H 24.0598 27.1813 89.336 0.00169717 -0.00153514 0.00702994 56
16852 242 H 26.2498 25.6565 90.8136 0.000750947 -0.000801084 -0.00025059 56
16853 243 H 25.8443 27.3896 91.0372 0.00811658 0.000442715 0.00116916 56
16854 244 H 23.5969 26.7046 91.7364 -0.00118071 0.00391491 7.29956e-05 56
16855 245 H 24.0054 25.0003 91.4836 0.011632 -0.00755553 0.0212804 56
16856 246 H 25.8711 25.1805 93.1068 -0.00495433 -0.00105165 -0.00310413 56
16857 247 H 25.4689 26.8855 93.4004 0.00209695 0.000804941 -0.0126772 56
16858 248 H 23.4081 26.4673 94.2784 0.00613244 0.00221523 -0.00668405 56
16859 249 H 23.4301 24.7069 93.8797 0.00965362 -0.00279441 -0.00261186 56
16860 250 H 23.8651 24.9744 96.2246 -0.00084055 -0.00784177 -0.000774576 56
16861 251 H 25.4212 24.4489 95.4575 0.00268104 0.0106971 -0.00778437 56
16862 252 H 25.2258 26.1219 96.0037 -0.00321662 0.00233755 0.00244064 56
16863 253 H 30.3304 29.934 82.5126 -0.0063847 0.00645064 0.0185689 56
16864 254 H 30.374 28.8482 83.9125 -0.00482324 -0.0040214 0.00129666 56
16865 255 H 32.8798 28.6123 83.5283 -0.00261387 0.00341017 0.0117259 56
16866 256 H 32.6903 30.0416 82.4688 0.00424887 0.000842777 0.00239637 56
16867 257 H 33.1792 31.0952 84.5792 0.0026846 0.000989739 0.00452921 56
16868 258 H 31.3549 31.0809 84.3926 0.00749354 0.00168513 -0.013182 56
16869 259 H 31.1799 29.2385 85.9155 -0.00470585 0.0121791 0.00623445 56
16870 260 H 32.9097 28.9995 85.9239 0.0117421 0.011686 0.0091075 56
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16872 262 H 31.473 31.4129 87.2505 0.00374128 -0.00341327 0.0087439 56
16873 263 H 31.4384 29.192 88.5393 -0.00435617 0.00569829 -0.0175211 56
16874 264 H 33.1837 29.2362 88.5528 0.00337538 0.00452022 0.0107891 56
16875 265 H 32.9488 31.5774 89.7023 0.00291645 -0.00325266 0.0116481 56
16876 266 H 31.2111 31.1983 89.7464 0.00740787 -0.00329628 -0.00405438 56
16877 267 H 31.699 29.0397 90.9325 0.0126191 -0.00722026 0.00690418 56
16878 268 H 33.4482 29.4236 90.9416 -0.00229948 -0.0114565 -0.00536956 56
16879 269 H 32.8992 31.5203 92.3085 -0.00433758 0.00722957 0.00582584 56
16880 270 H 31.2445 30.9853 92.4167 -0.00334645 -0.00777467 -0.00686345 56
16881 271 H 32.0452 28.8226 93.4707 0.00587555 -0.00661597 0.0199584 56
16882 272 H 33.6802 29.4072 93.4328 0.00237233 -0.00477387 0.0150529 56
16883 273 H 33.1047 31.4036 94.7796 -0.00130228 0.000276352 -0.00477419 56
16884 274 H 31.4153 30.989 94.8831 0.00432067 0.00520715 0.00577796 56
16885 275 H 32.8153 30.3379 96.9026 -0.0148253 -0.00206199 0.00618172 56
16886 276 H 31.9784 28.9397 96.1835 0.0105922 -0.0160541 -0.0104547 56
16887 277 H 33.7368 29.2611 95.8609 -0.0123547 -0.0179643 -0.0148934 56
16888 278 H 32.3052 21.4425 82.4397 -0.00244138 0.00689744 -0.0147754 56
16889 279 H 33.3254 22.8658 82.608 -0.00556686 0.000824292 -0.0126348 56
16890 280 H 31.2369 22.389 84.7677 0.00444255 0.0109012 0.0101743 56
16891 281 H 32.9463 22.961 84.918 0.00433225 -0.00321779 -0.0048622 56
16892 282 H 33.4594 20.4377 84.1206 -0.00309969 -0.00440497 -0.00277693 56
16893 283 H 31.8869 20.1592 84.7847 0.00797327 -0.00318174 -0.00432482 56
16894 284 H 34.4391 21.1854 86.1764 -0.00251974 0.00771971 -0.00132797 56
16895 285 H 33.496 19.7437 86.519 0.00666622 0.0010699 -0.0121369 56
16896 286 H 31.6236 21.1594 87.4025 -0.00358293 0.0107381 0.00691444 56
16897 287 H 32.6155 22.5989 87.2821 -0.00703472 -0.00376246 0.00136082 56
16898 288 H 34.3442 21.2029 88.7564 0.000295027 0.00704466 0.000574239 56
16899 289 H 32.8955 20.1769 89.0774 0.00956331 -0.00113002 -0.00642463 56
16900 290 H 31.6532 22.2344 89.8335 -0.000713943 -0.00949146 -0.0069811 56
16901 291 H 33.1244 23.1717 89.5487 -0.000463651 0.000370152 -0.0060905 56
16902 292 H 33.1495 22.7664 91.8412 0.0090583 -0.00377106 0.00662893 56
16903 293 H 34.3979 21.687 91.2263 0.00350874 0.00877182 -0.0230467 56
16904 294 H 32.7951 19.7464 91.3531 -0.0152369 -0.00167866 0.00369696 56
16905 295 H 31.5355 20.8525 91.916 -0.00221135 0.00764072 -0.00104243 56
16906 296 H 34.1585 20.102 93.3896 0.000463576 -0.00331793 -0.0153902 56
16907 297 H 32.5233 19.5258 93.6886 0.00223028 -0.00568132 -0.0119205 56
16908 298 H 31.8437 21.8234 94.4044 -0.000651889 -0.00285707 0.00283434 56
16909 299 H 33.3374 22.5489 93.9779 0.000620285 0.00271432 0.00365404 56
16910 300 H 33.1351 20.279 96.0613 0.000802444 0.00121789 0.0115571 56
16911 301 H 33.2169 21.9898 96.4627 -0.0115324 -0.0107973 0.00442651 56
16912 302 H 34.5996 21.2018 95.65 0.00137156 0.0176488 -0.017916 56
16913 1 C 35.4332 22.2442 79.5305 -0.00262005 0.00268711 -0.00179746 57
16914 2 C 35.3153 22.1249 78.1323 0.00439869 0.00182351 -0.00198038 57
16915 3 C 34.7424 20.9779 77.5979 -0.00319685 0.00266549 -0.00229976 57
16916 4 C 34.3091 19.9566 78.4591 -0.00363 0.00163187 0.000659305 57
16917 5 C 34.4666 20.0535 79.8601 0.00100566 -0.00484195 0.00526758 57
16918 6 C 34.9969 21.2474 80.4209 0.000302171 0.00284446 0.00450586 57
16919 7 C 29.9342 18.908 80.0998 0.00403714 -0.00340326 0.00356434 57
16920 8 C 29.8796 18.7693 78.7116 -0.000624088 -0.00236206 -0.00293528 57
16921 9 C 31.0282 18.7261 77.9252 0.0015658 -0.0033116 -0.000644551 57
16922 10 C 32.2485 18.7403 78.6191 -0.000775214 0.00309434 -0.00217743 57
16923 11 C 32.3085 18.836 80.0176 -0.00198691 -0.00175029 0.00227365 57
16924 12 C 31.1314 18.9879 80.788 0.00281525 -0.00237547 0.000433865 57
16925 13 C 35.6566 15.5261 79.9958 -0.00197341 -0.0026181 -0.00112944 57
16926 14 C 35.6758 15.5112 78.5938 -0.00435792 -0.000663982 -0.00371178 57
16927 15 C 35.1047 16.5493 77.9042 0.00368789 -0.00229613 -0.000502532 57
16928 16 C 34.403 17.5374 78.599 -0.00300965 -0.00259062 0.00242516 57
16929 17 C 33.6081 18.6853 77.9454 -0.000561457 -0.00184137 -0.000157129 57
16930 18 O 35.0783 16.5206 82.1701 -0.000535865 -0.00231887 0.000389755 57
16931 19 O 31.1135 19.3447 82.1496 0.000271477 0.00271177 -0.00227613 57
16932 20 O 35.1725 21.4221 81.789 0.00254186 0.00115432 0.00330061 57
16933 21 C 35.0383 16.5382 80.7691 0.000643513 0.00251218 0.00157449 57
16934 22 C 33.5161 18.5108 76.4794 0.00282091 -0.00102405 -0.00199707 57
16935 23 C 33.3444 18.2534 75.3021 -0.00203421 -0.000636447 -0.00176936 57
16936 24 C 33.076 17.8583 73.9326 0.00353401 -0.00410297 0.00279797 57
16937 25 C 32.1848 18.5942 73.1377 -0.00274289 0.00300726 -0.00240517 57
16938 26 C 31.8883 18.1717 71.8471 -0.000359331 0.00406397 0.00142646 57
16939 27 C 32.4579 16.9844 71.4044 -0.00439224 0.00525259 -0.00405171 57
16940 28 C 33.3586 16.2545 72.1226 0.00298858 -8.16668e-05 -0.0037462 57
16941 29 C 33.6971 16.6812 73.3945 0.00339221 0.00151238 0.00184709 57
16942 30 C 32.1486 16.5553 70.0805 0.00234218 0.00636944 -0.00413121 57
16943 31 C 31.9189 16.2296 68.9551 0.00241479 -0.00344853 0.00177371 57
16944 32 C 30.2137 12.4903 67.2872 -0.0052837 0.00380303 0.00616659 57
16945 33 C 30.3568 12.26 65.9225 0.000798111 0.000150833 -0.00299135 57
16946 34 C 30.8764 13.234 65.1157 -0.00143948 -0.00150908 -0.00190993 57
16947 35 C 31.1422 14.4825 65.6389 -0.00314134 0.000247624 0.00343203 57
16948 36 C 31.1672 14.6743 67.0583 -0.00622099 0.00193233 -7.45552e-05 57
16949 37 C 30.6818 13.6711 67.9126 -0.0028148 0.00189986 -0.000613486 57
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17518 2 C 43.5331 21.8327 78.0903 -0.00261074 -0.000386603 -0.00172313 59
17519 3 C 42.9024 20.728 77.5153 -0.00160596 0.000481042 0.00101336 59
17520 4 C 42.4034 19.7633 78.3693 0.000168637 0.000630769 -0.00169125 59
17521 5 C 42.3527 19.914 79.8034 0.000151151 0.000492649 0.00226599 59
17522 6 C 42.9302 21.0817 80.3697 -0.00346848 -0.00110397 0.0014254 59
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17524 8 C 37.8029 18.8541 78.4643 -0.00217992 9.22954e-05 0.00129656 59
17525 9 C 39.006 18.6664 77.7804 -0.00647578 -0.000205912 -0.0043286 59
17526 10 C 40.2346 18.659 78.5101 0.00244396 -0.00110316 0.00487635 59
17527 11 C 40.244 18.7874 79.901 -0.000480684 -0.00270475 -0.00044099 59
17528 12 C 39.0269 18.9399 80.5808 0.000767308 -0.00606189 -0.00501075 59
17529 13 C 43.4958 15.3392 80.0687 -0.00402004 -0.000180732 0.00121824 59
17530 14 C 43.4801 15.2658 78.6798 0.000664055 -0.00119677 -0.00361773 59
17531 15 C 42.8798 16.2375 77.9608 -0.00356065 -0.00246011 -0.00035492 59
17532 16 C 42.279 17.3541 78.6124 0.00204355 -0.00056499 0.000947616 59
17533 17 C 41.6203 18.515 77.8905 -0.000726463 -0.000916252 0.00218418 59
17534 18 O 42.8977 16.3816 82.2033 -0.000237598 -0.00480049 0.0022202 59
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17537 21 C 42.8474 16.3997 80.8026 0.00448005 0.00510905 0.0022808 59
17538 22 C 41.5833 18.3021 76.4381 0.00120646 -0.00108746 0.000275128 59
17539 23 C 41.41 18.08 75.2807 -0.00275247 0.00531011 -0.00265429 59
17540 24 C 41.069 17.7505 73.9363 0.00424524 -0.00088086 0.00206095 59
17541 25 C 39.8885 18.2215 73.3478 -0.00161904 -0.00122666 -0.00127712 59
17542 26 C 39.4689 17.7154 72.0953 -0.000166885 0.00048578 0.00121978 59
17543 27 C 40.2912 16.819 71.3661 -0.00339793 0.00278844 0.00180855 59
17544 28 C 41.4764 16.3956 71.9428 0.00136066 -0.00181364 -0.00164237 59
17545 29 C 41.8567 16.8398 73.2314 -0.00103602 -0.000479405 0.00512321 59
17546 30 C 39.9407 16.4447 70.0316 0.00120693 9.94572e-05 0.00362019 59
17547 31 C 39.7404 16.122 68.8841 0.00263406 0.0019599 0.00247116 59
17548 32 C 37.8234 12.4836 67.1532 -0.00250449 0.000282187 0.000758634 59
17549 33 C 37.8971 12.3316 65.7784 0.00186792 0.00235626 0.002435 59
17550 34 C 38.4641 13.3064 64.9648 0.000816112 6.89784e-05 -0.00178868 59
17551 35 C 38.8528 14.5019 65.5425 -0.00190882 0.00179706 -0.00208681 59
17552 36 C 38.9005 14.6356 66.9698 -0.00109316 0.0029275 0.00104621 59
17553 37 C 38.3496 13.6016 67.7928 -0.00127199 0.000639677 -0.000160295 59
17554 38 C 39.5533 15.9093 67.4539 -0.0060927 -0.00238298 0.00159709 59
17555 39 C 43.3234 15.6631 66.5891 0.00187618 -0.00160835 0.0059928 59
17556 40 C 43.2178 15.7551 65.2064 -0.00222392 0.00396146 0.00235204 59
17557 41 C 41.9976 15.8655 64.5259 0.00128737 0.00200276 -0.00497803 59
17558 42 C 40.8215 15.8654 65.3019 0.000259628 -0.0024571 -0.00132547 59
17559 43 C 40.9345 15.9117 66.7182 -0.00338375 -0.00531638 0.000516252 59
17560 44 C 42.1699 15.7669 67.3446 0.00655181 -0.00127406 -0.00307567 59
17561 45 C 37.3223 18.9857 66.7278 0.00416301 0.00198416 -0.00203305 59
17562 46 C 37.1771 18.8415 65.3279 -0.00103459 0.000361677 -0.00131128 59
17563 47 C 37.8407 17.7875 64.6529 0.00182231 0.0017336 -0.00150634 59
17564 48 C 38.627 16.8898 65.3672 0.001699 0.000809412 -0.000508029 59
17565 49 C 39.3708 15.7141 64.7958 0.000343508 0.0079945 0.00287136 59
17566 50 C 38.6961 17.0068 66.7932 0.000262753 0.00386595 -0.00287801 59
17567 51 C 38.0528 18.0676 67.4454 -0.00534624 0.00144526 -0.00165113 59
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17571 55 C 41.6347 18.7482 80.527 -0.000662464 -0.00378481 -0.00090033 59
17572 56 C 42.2719 17.4299 80.0286 0.000614845 -8.39579e-05 -0.00042678 59
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17574 58 C 41.449 15.9062 60.8452 0.000495372 0.00237006 0.00110432 59
17575 59 C 40.9844 14.9791 59.7143 0.00251716 0.00287101 0.00312862 59
17576 60 C 41.1633 15.6248 58.3162 0.00127811 0.000764943 0.0019071 59
17577 61 C 40.9063 14.7022 57.1225 0.00202004 -0.000621017 -0.0035569 59
17578 62 C 40.9454 15.4483 55.7891 -0.00275823 0.000603855 0.00132577 59
17579 63 C 40.7887 14.5371 54.5682 0.00634086 -0.00207619 -0.0024323 59
17580 64 C 40.697 15.4351 53.3207 0.00229236 -0.000981031 -0.000421274 59
17581 65 C 40.5668 14.6744 51.9879 0.000502523 0.000263919 -0.00374729 59
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17583 67 C 39.5852 15.2833 49.6521 -0.00264048 -0.000251228 0.00159116 59
17584 68 C 40.1414 14.0767 48.8959 -0.000607436 -0.00441588 0.00488448 59
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17586 70 C 39.5715 12.1285 63.0705 0.00337834 -0.00158052 0.000974714 59
17587 71 C 39.4455 11.7795 61.5748 -0.00233309 0.0042073 0.00538419 59
17588 72 C 40.2306 10.5771 61.0545 0.000944648 0.0008489 0.000716358 59
17589 73 C 40.0908 10.343 59.5085 0.00227619 -0.00113093 0.00379531 59
17590 74 C 40.7259 11.4728 58.6837 -0.00145187 -0.00176565 0.00179106 59
17591 75 C 41.2521 11.0145 57.3097 0.00221137 0.00155327 0.00168776 59
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17597 81 C 40.6512 9.92162 49.897 0.0022966 -0.00044766 0.00197655 59
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17599 83 C 37.9162 16.3042 61.3277 0.00346939 0.00331931 0.00292593 59
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17601 85 C 36.6458 17.229 59.2869 0.00273356 -0.00156034 -0.00105914 59
17602 86 C 36.7593 17.7897 57.8761 -0.00172084 -0.0020417 -0.000737179 59
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17607 91 C 36.6768 16.7023 51.5649 -0.00694807 0.00169147 6.69783e-05 59
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17610 94 C 37.8805 19.7131 82.6303 -0.00113709 -0.00229859 0.000619087 59
17611 95 C 36.8092 18.6949 83.1006 0.00370414 0.00292041 0.00210817 59
17612 96 C 36.1093 19.0623 84.4234 -0.00248276 0.00216532 0.00318871 59
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17614 98 C 36.4601 19.5849 86.9777 3.80068e-05 0.00409845 -0.00051641 59
17615 99 C 37.1991 19.0931 88.2241 0.00240581 0.00320397 0.00109947 59
17616 100 C 36.7825 19.7846 89.519 0.00271348 -0.00243981 -0.00106758 59
17617 101 C 37.3901 19.0664 90.7586 -0.00265997 0.00149984 -0.000224668 59
17618 102 C 37.0027 19.8465 92.003 0.000125475 -0.000701601 0.000708497 59
17619 103 C 37.4794 19.1358 93.2815 -0.000503339 0.00068167 -0.00630286 59
17620 104 C 37.097 19.9063 94.5519 -0.00122995 -0.000346146 0.000938157 59
17621 105 C 37.207 19.021 95.8084 -0.000754725 0.00408635 0.00352561 59
17622 106 C 43.6838 22.4983 82.3173 0.0016839 -0.00372847 0.00214353 59
17623 107 C 43.5482 22.5596 83.863 -0.00102251 -4.21852e-05 0.00148802 59
17624 108 C 44.1515 23.6968 84.7816 -0.00124316 0.00318909 0.00412694 59
17625 109 C 44.245 23.1409 86.2591 -0.000330302 0.0018267 0.00089889 59
17626 110 C 44.368 24.1312 87.412 -0.000197895 0.00345578 -0.00123714 59
17627 111 C 44.4523 23.3612 88.7581 -0.00250114 -0.00381245 0.00197122 59
17628 112 C 44.5661 24.2663 90.0235 0.00139853 -0.00144363 -0.00247781 59
17629 113 C 44.718 23.4329 91.2744 -0.00455289 0.00112981 -0.000677098 59
17630 114 C 44.8962 24.2804 92.5256 -0.00184959 0.000422059 0.000191889 59
17631 115 C 45.1252 23.3525 93.7714 0.00208365 0.00104797 0.00393299 59
17632 116 C 45.7345 24.1123 94.9922 -0.000509871 0.00165332 0.00227985 59
17633 117 C 44.7031 24.6925 95.9607 0.000648857 0.00224523 -0.00512516 59
17634 118 C 43.0942 15.102 82.8448 0.000429747 -0.00486194 0.00136759 59
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19391 63 C 16.4917 28.9157 55.8295 -0.00214478 0.00107717 0.00148061 65
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19447 119 C 20.4184 29.4918 84.5973 -0.000178424 -0.000193296 0.000317485 65
19448 120 C 20.6118 28.1149 85.2726 0.00317209 0.00549907 -0.00546103 65
19449 121 C 20.7295 28.1243 86.8264 -0.00470044 -0.00733499 -0.00142648 65
19450 122 C 19.5295 28.6444 87.6123 -0.00361174 0.00102488 0.00281343 65
19451 123 C 19.4448 28.1177 89.0582 -0.00256542 -0.00357462 -0.00186215 65
19452 124 C 20.4165 28.7219 90.0655 -0.000393557 0.000493818 -0.000802549 65
19453 125 C 20.2037 28.0663 91.4516 0.00460779 0.0013678 -0.00747993 65
19454 126 C 20.9658 28.6602 92.6321 -0.000981886 0.00173693 0.00303813 65
19455 127 C 20.714 27.8042 93.8696 7.02771e-05 -0.00336929 -0.00245472 65
19456 128 C 21.2506 28.3958 95.1757 0.00136274 0.0024595 -0.00441608 65
19457 129 C 21.1409 27.3975 96.3399 0.00256407 0.000191203 0.00311416 65
19458 130 F 19.3023 29.234 74.1203 -0.000589301 -0.00320477 -0.000160982 65
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19460 132 H 20.5871 36.2152 77.3148 0.00284473 0.00344649 0.0100703 65
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19463 135 H 13.5134 32.3475 77.5596 -0.000426187 0.00573658 0.00419851 65
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19465 137 H 20.7025 28.4297 80.86 -0.0144856 -0.00594994 -0.00399174 65
19466 138 H 20.4481 28.0767 78.4455 -0.00355683 0.00518279 -0.00402756 65
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19469 141 H 16.0989 32.4442 73.9122 0.0044838 0.00436803 0.00080011 65
19470 142 H 13.7161 25.303 67.8598 -0.00108271 -0.00305997 -0.00747013 65
19471 143 H 13.7825 25.1073 65.3147 0.000523766 0.00148473 -0.0078345 65
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19473 145 H 20.8226 29.0335 67.4041 0.00605887 0.000229544 -0.00765274 65
19474 146 H 20.7592 28.7158 65.012 -0.000113565 0.0068588 -0.00114637 65
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19477 149 H 13.7331 33.4774 65.0633 -0.00968222 -0.00231595 0.00798217 65
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19479 151 H 14.9577 31.7128 68.8276 -0.00522037 -0.0118573 0.00210285 65
19480 152 H 18.0372 32.6887 81.5771 -0.00151187 -0.00616063 0.00447145 65
19481 153 H 17.3281 30.7019 62.8358 -0.00391764 -0.00567509 -0.0127456 65
19482 154 H 19.118 30.9356 62.5068 0.00416038 -0.00566341 0.00893097 65
19483 155 H 18.8509 28.9567 60.9649 0.00513199 0.00734575 -9.55361e-05 65
19484 156 H 18.1795 30.4513 60.3887 0.000253252 0.0039018 0.00261636 65
19485 157 H 15.8921 29.7967 60.9418 -0.00459231 -0.00171938 -0.00150011 65
19486 158 H 16.4964 28.3636 61.8579 -0.0103497 0.00515004 0.00513526 65
19487 159 H 15.4731 27.8035 59.7298 -0.00242844 0.00743253 -0.0186104 65
19488 160 H 17.1625 27.3081 59.8006 -0.00297845 -0.00698709 0.00881416 65
19489 161 H 17.7259 29.193 58.2676 0.00196576 0.00380681 0.00306304 65
19490 162 H 16.0364 29.8801 58.3891 -0.009869 -0.00656081 -0.00358997 65
19491 163 H 15.3282 27.7531 57.2172 -0.000103612 -0.0033173 0.0115 65
19492 164 H 16.9746 27.2096 57.0204 0.000572343 0.00368975 -0.0235479 65
19493 165 H 17.5006 29.3447 55.7894 0.00327587 -0.0126462 -0.00973797 65
19494 166 H 15.6874 29.661 55.8607 -0.00196013 0.00106927 0.00656407 65
19495 167 H 15.3001 27.5386 54.6636 -0.0065154 0.0124977 -0.00347916 65
19496 168 H 17.0266 27.2391 54.5086 -0.00743774 -0.00656215 -0.00411175 65
19497 169 H 17.2741 29.3891 53.3402 -0.00383284 0.00264256 0.00138024 65
19498 170 H 15.5934 29.7374 53.4003 0.00833351 0.0064758 -0.00630077 65
19499 171 H 15.134 27.5562 52.1442 -0.00898734 0.0138619 -0.00842569 65
19500 172 H 16.8381 27.3175 51.9374 -0.000981377 -0.00473201 -0.00228271 65
19501 173 H 17.0395 29.5114 50.6657 -0.0078264 0.00717281 -0.00360636 65
19502 174 H 15.3262 29.7996 50.8796 0.00755857 0.0106453 0.00158738 65
19503 175 H 15.7915 28.8747 48.723 -0.00468557 -0.00287869 0.00108607 65
19504 176 H 14.8082 27.6704 49.6173 -0.00117843 -0.00682315 -0.0112856 65
19505 177 H 16.5699 27.3801 49.3789 0.00227736 -0.000762607 0.00839198 65
19506 178 H 16.947 26.4784 63.1095 -0.00148876 0.000555975 -0.00561862 65
19507 179 H 16.2508 25.0701 63.9597 0.00597914 0.0112221 0.00770871 65
19508 180 H 14.7393 24.8046 61.9377 -0.00657985 0.00792544 -0.00103986 65
19509 181 H 15.6778 26.0915 61.1607 -0.0068913 0.00251816 0.00345512 65
19510 182 H 17.763 24.5416 61.3673 0.00334955 0.000494115 0.00499554 65
19511 183 H 16.6284 23.3481 62.0467 0.00359879 0.00230633 -0.0051643 65
19512 184 H 17.1877 22.8794 59.8214 0.00684916 0.00948692 -0.0178313 65
19513 185 H 15.4516 23.0135 60.057 -0.00472132 0.00213979 -0.00161286 65
19514 186 H 15.6104 25.3678 58.8477 -0.00172392 -0.000531316 -0.00499724 65
19515 187 H 17.3211 25.0229 58.6005 0.00827567 -0.0144435 0.000678733 65
19516 188 H 16.622 22.8977 57.3604 -0.00540646 -0.00580724 0.0072836 65
19517 189 H 14.9587 23.4907 57.5552 -0.000718491 0.0018427 0.0067758 65
19518 190 H 15.4566 25.4748 56.2163 0.00987174 0.00490864 0.00390801 65
19519 191 H 17.1906 25.0088 56.0725 -0.00187316 0.00258612 -0.00594682 65
19520 192 H 16.4592 22.8756 54.9141 -0.021639 -0.0095659 0.00520089 65
19521 193 H 14.8054 23.4684 54.9353 -0.00215153 -0.00730801 -0.015093 65
19522 194 H 15.4224 25.439 53.5492 -0.000209775 0.00134853 0.00259944 65
19523 195 H 17.1252 25.0039 53.7286 0.00430627 -0.00862828 -0.0117358 65
19524 196 H 16.8199 22.9703 52.2729 0.0137238 0.00422222 -0.00258359 65
19525 197 H 15.1057 23.3822 52.0683 -0.00463472 0.00855858 0.00895899 65
19526 198 H 15.6379 25.5179 51.0151 0.00546463 0.00836187 0.0117331 65
19527 199 H 17.3581 25.3099 51.2632 -0.00203948 -0.00322404 0.00594208 65
19528 200 H 17.0989 24.8512 49.0486 -0.00968742 0.00862309 0.0018765 65
19529 201 H 17.2407 23.2544 49.761 0.0128401 0.00648477 0.00294525 65
19530 202 H 15.6193 23.9531 49.2323 0.00354467 0.00069792 0.00262033 65
19531 203 H 12.6865 30.9478 63.9568 -0.00824125 -0.00271637 -0.0116246 65
19532 204 H 12.9044 32.3802 62.9642 -0.0117742 -0.00969828 0.00112041 65
19533 205 H 13.9671 29.6982 62.0001 0.0120979 0.00720057 -0.00635609 65
19534 206 H 12.2037 29.9101 61.9464 0.00764308 -0.0056116 -0.000245773 65
19535 207 H 12.6034 32.0122 60.6873 0.000914265 -0.00289654 0.000456061 65
19536 208 H 14.3292 31.5931 60.576 -0.000617171 9.26722e-05 0.0114509 65
19537 209 H 13.9443 29.6922 59.2683 0.0013276 -0.00278638 0.00269885 65
19538 210 H 12.2093 29.6446 59.5887 0.00261899 -0.00878031 -0.0160587 65
19539 211 H 11.9165 31.7836 58.2423 -0.00220343 -0.0044515 -0.00756161 65
19540 212 H 13.6765 31.8705 58.0507 0.010754 -0.0118731 0.00121606 65
19541 213 H 13.6394 29.6349 56.8995 -0.016603 -0.0240553 0.00872016 65
19542 214 H 11.8827 29.6422 57.0172 0.00340739 -0.00272117 0.00741148 65
19543 215 H 11.7893 31.8389 55.731 -0.000391601 -0.00217341 -0.0108995 65
19544 216 H 13.5571 31.7527 55.5643 0.0087712 -0.00982677 0.0137068 65
19545 217 H 13.3366 29.5084 54.504 0.00480763 0.00343925 0.00138777 65
19546 218 H 11.5943 29.6619 54.575 -0.00490051 0.00822317 0.00344679 65
19547 219 H 11.7839 31.8564 53.2246 -0.00505323 -0.00534459 0.000310304 65
19548 220 H 13.498 31.6131 53.1921 -0.00463425 0.00747582 0.00772748 65
19549 221 H 13.2421 29.4781 51.9924 -0.00359203 -0.00458024 0.00489107 65
19550 222 H 11.4386 29.6191 52.1302 -0.00376717 0.0193775 0.00823865 65
19551 223 H 11.6545 31.7002 50.7069 -0.00472156 -0.00498766 -0.00658468 65
19552 224 H 13.3728 31.5121 50.6647 -0.00678291 0.0126989 -0.0163864 65
19553 225 H 12.8971 29.2648 49.5109 -0.00507308 0.0013781 -0.00408277 65
19554 226 H 11.1904 29.7506 49.3875 0.00509343 -0.0102767 -0.0111436 65
19555 227 H 12.4525 30.75 48.5689 -0.0104263 0.0130541 0.00304602 65
19556 228 H 13.8361 34.0965 82.3077 0.00198008 -0.00212079 -0.0070713 65
19557 229 H 13.2079 32.4843 81.9128 0.00472229 -0.0110114 0.000217143 65
19558 230 H 14.3493 31.5087 83.962 0.00634877 0.000306478 -0.000679814 65
19559 231 H 14.7152 33.2064 84.3761 -0.00844247 0.00874153 0.0056429 65
19560 232 H 12.1442 33.5742 84.3977 0.0103667 0.00437986 -0.000160659 65
19561 233 H 11.8835 31.9094 83.9378 -0.00131013 0.00107574 -0.000629765 65
19562 234 H 11.5451 32.1534 86.3118 -0.00363176 0.00747962 -0.00107807 65
19563 235 H 13.0351 31.2019 86.0316 -0.0012696 -0.00346382 -0.026725 65
19564 236 H 14.4349 33.0346 86.6563 -0.00115124 -0.00548426 -0.00301879 65
19565 237 H 13.1166 34.2099 86.6811 0.0151672 0.00446965 0.00733521 65
19566 238 H 11.9339 32.9238 88.4737 0.00143143 0.0104459 0.00678099 65
19567 239 H 13.1379 31.6964 88.3824 -0.00160734 0.000116232 0.00308297 65
19568 240 H 14.8344 33.2589 89.2292 0.00416506 0.0158963 -0.000793081 65
19569 241 H 13.5847 34.5052 89.3939 0.00211519 0.00211415 0.0069234 65
19570 242 H 12.2649 32.8549 90.9627 0.00186206 0.0109177 -0.00524617 65
19571 243 H 13.447 31.65 90.6442 -0.00683143 -0.00373933 0.000581786 65
19572 244 H 15.2328 33.0772 91.8348 0.00390577 0.000397682 0.0029095 65
19573 245 H 14.0389 34.3592 92.0028 0.00774248 0.00565715 -0.00606226 65
19574 246 H 12.6658 32.7443 93.4406 -0.00525093 -0.0072495 -0.0180521 65
19575 247 H 13.8477 31.5022 93.0991 -0.017073 0.000100459 0.00655672 65
19576 248 H 15.5929 32.8707 94.3142 -0.00018741 0.00619983 -0.00328048 65
19577 249 H 14.32 34.1253 94.4841 0.00508752 0.000923737 0.000638978 65
19578 250 H 14.4053 31.3582 95.805 0.00465269 0.00283189 0.0180294 65
19579 251 H 14.437 32.9261 96.6014 -0.00526273 0.00160816 0.000424124 65
19580 252 H 12.9401 32.2893 95.7449 -0.00252703 -0.0182916 -0.0049257 65
19581 253 H 21.171 36.2163 81.6307 0.00634018 0.0143055 0.0134173 65
19582 254 H 19.5779 37.0698 81.8037 -0.0180269 -0.0141099 -0.00804754 65
19583 255 H 19.2434 36.24 84.0617 -0.00235547 0.00333359 -0.00114524 65
19584 256 H 20.7809 35.4305 84.0647 0.00332479 -0.000128819 -0.00386918 65
19585 257 H 22.0693 37.3707 83.7928 -0.00182033 0.00623164 0.0038907 65
19586 258 H 20.7435 38.3716 83.3688 -0.00946975 -0.0103326 -0.0150858 65
19587 259 H 21.1698 39.0192 85.6174 0.00124529 0.004247 -0.00808281 65
19588 260 H 19.7498 37.971 85.7302 -0.00736221 -0.00290241 -0.0251179 65
19589 261 H 21.0057 36.0381 86.5782 0.000337378 9.15542e-05 1.9228e-05 65
19590 262 H 22.5013 36.9597 86.4916 -0.000340975 0.00349317 -0.0016763 65
19591 263 H 21.6325 38.6772 88.0013 0.00614966 -0.00528526 -0.0020488 65
19592 264 H 20.0418 37.9631 88.1175 0.000636627 0.0105429 0.00628074 65
19593 265 H 21.2397 35.9509 89.1749 0.0158163 -0.00420591 0.00740672 65
19594 266 H 22.7078 36.9265 89.2468 -0.000119173 -0.000589651 0.00647447 65
19595 267 H 21.6105 38.7206 90.4386 -0.00733089 0.0037792 -0.0157993 65
19596 268 H 20.1152 37.8069 90.5187 0.001392 -0.00666086 0.00404094 65
19597 269 H 21.2283 36.0161 91.8168 0.00280423 -0.00244641 -0.00341366 65
19598 270 H 22.7592 36.9221 91.8598 0.000356871 0.00588442 -0.0057032 65
19599 271 H 21.4874 38.7233 93.104 0.00210699 4.47761e-05 -0.0074856 65
19600 272 H 20.0473 37.6956 92.9625 -0.00420919 -0.00288997 -0.00328967 65
19601 273 H 21.1558 35.8659 94.244 0.0141321 -0.00537605 0.00787978 65
19602 274 H 22.5321 36.8375 94.5013 -0.00356859 0.0013902 0.0112444 65
19603 275 H 21.0704 38.6125 95.6209 0.00389599 -0.00152262 0.00526627 65
19604 276 H 19.7166 37.4007 95.5532 0.00376281 -0.00373663 -0.00122679 65
19605 277 H 21.2431 37.0884 96.4842 -0.00288942 -0.00570779 0.0028672 65
19606 278 H 19.6209 28.54 82.8882 0.00662595 -0.00347709 -0.00327267 65
19607 279 H 21.2646 29.136 82.582 -0.000781561 -0.00847456 0.00179997 65
19608 280 H 19.4777 29.8979 84.9892 0.000592559 -0.00260918 0.00465678 65
19609 281 H 21.2051 30.2037 84.876 -0.00557277 0.0101714 -0.0109 65
19610 282 H 21.4689 27.5647 84.8652 0.00272284 0.00677603 -0.00812747 65
19611 283 H 19.7261 27.5196 85.019 0.00277868 0.0041416 -0.000889172 65
19612 284 H 21.6257 28.6697 87.1472 -0.00680284 -0.00262445 -0.00357234 65
19613 285 H 20.9068 27.0791 87.1084 0.00885602 -0.00137435 0.0121129 65
19614 286 H 18.5807 28.3909 87.1236 -0.0100339 -0.00340057 0.0175342 65
19615 287 H 19.6279 29.7368 87.6308 -9.55748e-06 0.000432694 0.0184788 65
19616 288 H 19.6007 27.032 89.0408 -0.00934041 -0.00458016 0.000139229 65
19617 289 H 18.4246 28.2953 89.4202 0.00264457 -0.000131694 0.0111266 65
19618 290 H 20.2759 29.8084 90.1213 -0.000900261 0.000666665 -0.00541099 65
19619 291 H 21.4464 28.5618 89.7231 0.00297359 0.0151957 0.00243489 65
19620 292 H 20.5623 27.0366 91.3314 -0.00418557 -0.00232756 -0.00195831 65
19621 293 H 19.1432 27.9921 91.722 0.00343259 -0.0125392 -0.0158779 65
19622 294 H 20.6378 29.6916 92.811 0.00623518 0.00138699 0.0182734 65
19623 295 H 22.0457 28.6634 92.4391 -0.00381626 0.0169137 -0.0124659 65
19624 296 H 21.1471 26.8117 93.6943 -0.00901721 -0.00451134 -0.0185449 65
19625 297 H 19.6375 27.5998 93.9224 0.0024431 -0.0161343 -0.00315569 65
19626 298 H 20.7127 29.3104 95.4542 -0.0082899 -0.00714666 0.0085036 65
19627 299 H 22.3 28.6694 95.0105 0.00458505 -0.0112125 -0.00658393 65
19628 300 H 21.6802 26.4599 96.157 -0.00684999 -0.0019508 -0.0135434 65
19629 301 H 20.0932 27.129 96.523 0.0050625 -0.01457 -0.00414088 65
19630 302 H 21.607 27.8215 97.2379 0.0102478 -0.00899004 0.00347041 65
19631 1 C 24.0565 42.349 79.3409 -0.00293359 -0.00112341 -0.000803457 66
19632 2 C 24.114 42.3017 77.9605 0.00135821 0.00263605 -0.00119207 66
19633 3 C 23.518 41.2375 77.3051 -0.000545986 -0.00197487 -0.00490993 66
19634 4 C 22.8941 40.2168 78.0299 -0.000473593 -0.000567968 -0.00160542 66
19635 5 C 22.8653 40.2518 79.4475 -0.00349569 0.00155424 -0.00113717 66
19636 6 C 23.3675 41.3876 80.0778 0.00313349 -0.00491795 -5.57116e-05 66
19637 7 C 18.3265 39.3577 79.0521 7.12937e-05 -0.00505636 0.00162056 66
19638 8 C 18.4269 39.2455 77.6907 0.00111927 0.00213456 -0.00385173 66
19639 9 C 19.6671 39.0488 77.1344 -0.00284939 0.00442984 -0.00300919 66
19640 10 C 20.814 39.0516 77.9383 0.000457272 0.00159333 -0.000249306 66
19641 11 C 20.7044 39.1083 79.3564 -0.000320686 -0.00161327 -0.00012064 66
19642 12 C 19.4139 39.2747 79.9223 -0.000761701 0.00654473 -0.00159125 66
19643 13 C 24.0427 35.7742 79.7783 0.00346772 0.00275946 0.000603255 66
19644 14 C 24.0228 35.6507 78.3765 -0.000399409 0.00150484 0.00332066 66
19645 15 C 23.4451 36.653 77.635 -0.00283496 0.00251632 -0.00166818 66
19646 16 C 22.846 37.7396 78.2247 -0.00321333 0.00125676 0.000809757 66
19647 17 C 22.2457 38.9501 77.4365 0.0018164 -0.00239249 -0.00126598 66
19648 18 O 23.4645 36.849 81.8846 0.00188474 0.00222653 0.000761316 66
19649 19 O 19.2689 39.3026 81.2701 -0.00368754 -0.00355134 -0.000899099 66
19650 20 O 23.31 41.5357 81.4436 -0.00173865 0.00233836 -0.000331974 66
19651 21 C 23.4063 36.8504 80.4609 0.00328626 -0.00280072 0.00282015 66
19652 22 C 22.2472 38.8244 75.9742 7.17937e-05 -0.000965475 -0.00252248 66
19653 23 C 22.0665 38.4892 74.8306 0.00230685 -0.00294973 0.000477256 66
19654 24 C 21.7581 38.0342 73.5235 0.00253569 -0.00264432 -0.0008762 66
19655 25 C 20.507 38.4228 72.9504 0.00221635 0.00258593 0.000741051 66
19656 26 C 20.0522 37.8427 71.7671 0.00288629 0.000632504 0.0011044 66
19657 27 C 20.8377 36.8628 71.1169 0.00270545 0.00320446 0.00154073 66
19658 28 C 22.1049 36.4864 71.6811 0.000617254 -0.00113318 0.00317925 66
19659 29 C 22.511 37.0401 72.8867 -0.00524857 -0.00177356 0.0014881 66
19660 30 C 20.4788 36.4296 69.8556 -0.0026641 -0.00105625 0.00208668 66
19661 31 C 20.2159 36.1726 68.7046 0.00237499 -0.00211165 -1.79099e-05 66
19662 32 C 18.0221 32.8402 66.7927 -0.000642144 -0.00144821 -0.0019608 66
19663 33 C 18.1948 32.6685 65.3958 -0.00125323 -0.00229064 -0.00414758 66
19664 34 C 18.8225 33.6755 64.6382 0.000295384 -0.00334114 0.00416986 66
19665 35 C 19.366 34.7841 65.3063 -0.00427062 -0.000668485 0.00183993 66
19666 36 C 19.3924 34.8415 66.7236 -0.00245978 0.00287816 -0.00221406 66
19667 37 C 18.6501 33.8862 67.4569 0.000554297 0.00362455 0.00366949 66
19668 38 C 20.1385 36.0751 67.252 -0.0007579 0.00102582 0.00385208 66
19669 39 C 23.9844 36.2109 66.4771 -0.00189972 -0.00222671 -0.00147615 66
19670 40 C 23.9236 36.023 65.0611 0.00264066 -0.000481116 0.000135038 66
19671 41 C 22.679 35.9228 64.41 0.00238625 -0.000246311 3.0052e-07 66
19672 42 C 21.5078 35.9854 65.209 0.002182 0.00118039 -0.00148545 66
19673 43 C 21.5213 36.0483 66.5912 0.00467437 0.00149785 0.00366048 66
19674 44 C 22.8042 36.1596 67.2332 -0.00233735 0.000497819 0.00203496 66
19675 45 C 18.3404 39.4538 66.6196 -0.00353372 0.00157928 -0.00501985 66
19676 46 C 18.3677 39.4143 65.1885 0.00138103 -0.00649494 -0.00117854 66
19677 47 C 18.8701 38.2979 64.5097 -0.00171619 -0.00116983 -0.00171763 66
19678 48 C 19.379 37.2219 65.2443 -0.00477107 -0.000289598 0.00141481 66
19679 49 C 20.0566 35.9705 64.6341 -0.00164353 0.000472353 0.00182983 66
19680 50 C 19.4323 37.2849 66.6429 0.00239605 0.00300859 -0.000255779 66
19681 51 C 18.9222 38.3822 67.3305 -0.00145651 0.00116161 0.00244005 66
19682 52 O 22.597 35.5889 63.1083 -0.00136776 0.00172288 -7.69114e-05 66
19683 53 O 18.9137 33.5075 63.3128 0.00215712 -0.00374249 0.00398852 66
19684 54 O 18.8624 38.2481 63.1123 0.00028959 0.00140073 0.000875486 66
19685 55 C 22.0898 39.1213 80.0835 0.00394147 0.000667896 0.00101244 66
19686 56 C 22.8127 37.8415 79.6299 -0.00149808 -0.00464888 -0.00276178 66
19687 57 C 22.2107 34.2223 62.8551 -0.00156813 -0.00468819 -0.00117521 66
19688 58 C 21.6373 34.0029 61.4727 0.00172604 -0.00120714 -0.00120509 66
19689 59 C 21.2077 35.2364 60.6559 0.0043323 -0.000182788 -0.00177383 66
19690 60 C 20.9869 34.8892 59.1647 0.00110295 -0.00185882 -0.000631519 66
19691 61 C 20.6187 36.0576 58.2875 0.00266575 0.0001246 0.000991506 66
19692 62 C 20.1077 35.6792 56.8711 0.00530741 0.00218271 -0.000937155 66
19693 63 C 20.9607 34.6016 56.1966 -0.00218208 -0.00242749 -2.02087e-05 66
19694 64 C 20.6326 34.4158 54.6588 -0.0053571 -0.00159621 -0.00210454 66
19695 65 C 20.9848 35.6561 53.8141 -0.00420202 -0.000205325 0.00139864 66
19696 66 C 21.0532 35.3753 52.3176 2.21269e-05 0.0020779 -0.00077956 66
19697 67 C 19.6859 35.4025 51.6653 0.00100113 0.000304309 -0.00185946 66
19698 68 C 19.7831 35.2445 50.1418 0.00060277 -0.00450965 0.00184468 66
19699 69 F 18.836 38.2 71.2809 -0.000708672 -0.00226349 -0.00381848 66
19700 70 C 17.8632 34.0972 62.568 -0.00323008 -0.00351178 0.00106872 66
19701 71 C 17.8195 33.4744 61.1412 -0.00205403 -0.00243014 -0.00126358 66
19702 72 C 17.4462 34.5517 60.0977 -0.00253915 0.00278022 0.00212157 66
19703 73 C 17.43 33.9647 58.6602 0.00111245 0.00189564 0.00237131 66
19704 74 C 16.5619 32.6997 58.4389 0.00297165 -0.00255027 0.00603037 66
19705 75 C 15.9609 32.588 57.0162 -0.00299383 0.00257708 -0.00123819 66
19706 76 C 16.9597 32.6885 55.8567 -0.00398269 0.00390318 -0.00304658 66
19707 77 C 16.1807 32.57 54.5258 -0.00231825 -0.0020792 0.0023049 66
19708 78 C 17.0249 32.5679 53.2206 0.00349877 -0.00299168 0.0026331 66
19709 79 C 16.0566 32.707 52.0222 -0.00109642 0.00225205 -0.0014717 66
19710 80 C 16.7998 32.7673 50.7103 0.00202224 -0.00217482 0.00248057 66
19711 81 C 15.8708 33.0143 49.5214 -0.000814955 0.00286459 -0.00196566 66
19712 82 C 20.0893 38.5146 62.4196 0.00345458 -0.00114185 -0.00185919 66
19713 83 C 20.0209 38.4248 60.8745 0.000552125 -0.00233864 0.00124007 66
19714 84 C 20.1453 39.7715 60.1039 -0.00420438 0.00166009 0.00192851 66
19715 85 C 20.9552 39.6877 58.744 0.00436616 0.00105351 0.000314265 66
19716 86 C 20.1302 39.4847 57.4795 0.00205756 -0.00372491 0.000311613 66
19717 87 C 21.0886 39.1911 56.3184 0.00354714 0.0021506 -0.0007669 66
19718 88 C 20.3606 38.8982 55.0019 -0.00199071 0.000429516 0.00176078 66
19719 89 C 19.7822 40.0606 54.1282 -0.00147524 0.00175299 -0.00150323 66
19720 90 C 19.4701 39.5555 52.6889 -0.00336695 -0.000583248 0.00406679 66
19721 91 C 20.7369 39.3041 51.8661 -0.000904348 0.00166023 -0.00364694 66
19722 92 C 20.3686 39.1962 50.3837 0.000998551 -0.000447456 0.00242421 66
19723 93 C 21.6202 38.8038 49.5797 0.00247985 0.00365078 0.00502536 66
19724 94 C 17.9664 39.5486 81.9083 0.00559242 0.00133033 -0.000890194 66
19725 95 C 18.0054 38.9913 83.3646 0.00101631 0.00172017 -0.000949136 66
19726 96 C 16.8346 39.3996 84.2586 0.00225515 -0.00639936 -0.000565165 66
19727 97 C 17.1658 39.0438 85.7122 -0.000591485 -0.00252821 0.00425165 66
19728 98 C 16.4033 39.8522 86.7675 0.000342092 -0.00210812 0.0018074 66
19729 99 C 16.9519 39.5661 88.1789 -0.00524373 0.00124035 -0.00204768 66
19730 100 C 16.2481 40.4415 89.226 -7.23716e-05 -0.00215246 0.00226959 66
19731 101 C 16.6701 39.9283 90.6234 0.00382898 0.00327799 -0.00128263 66
19732 102 C 18.0865 40.4451 90.9981 0.00137751 0.00031676 -0.00197322 66
19733 103 C 18.4537 39.8444 92.4006 0.000495726 0.000289371 -0.000687568 66
19734 104 C 17.6778 40.4053 93.5968 -0.00224693 0.000404812 -0.000498587 66
19735 105 C 17.7972 39.649 94.9601 -0.00284145 7.93244e-05 0.00259529 66
19736 106 C 23.2859 42.803 82.0759 0.000856881 0.0022374 0.000174911 66
19737 107 C 23.5367 42.3915 83.5607 0.00221812 -0.00312237 -0.00143614 66
19738 108 C 23.9012 43.5293 84.4805 0.00126927 0.00130814 -0.00265514 66
19739 109 C 24.247 43.0316 85.8823 -0.000538679 0.000856922 0.00317928 66
19740 110 C 24.2699 44.0854 86.9956 -0.00187742 -0.00148916 0.00192626 66
19741 111 C 24.6447 43.3986 88.3267 -1.8345e-05 8.47906e-05 -0.00296458 66
19742 112 C 24.4346 44.3232 89.5252 -0.000257871 -0.00324889 -0.00486566 66
19743 113 C 25.0637 43.7607 90.8194 0.000366575 -0.000765956 0.000272928 66
19744 114 C 24.6467 44.4564 92.1369 -0.00303229 0.00196269 -0.000826372 66
19745 115 C 25.4127 43.8086 93.3238 -0.00323976 -0.00362768 0.00173601 66
19746 116 C 24.9664 44.483 94.6263 0.00133331 0.00407958 -0.0010111 66
19747 117 C 25.4453 43.9466 95.9844 -0.00273316 0.000234665 -0.00147366 66
19748 118 C 24.0805 35.7387 82.556 -0.00193103 0.000827442 0.00120232 66
19749 119 C 24.1016 35.6623 84.1329 -0.00284622 0.00184936 -0.000661391 66
19750 120 C 24.8648 34.3599 84.5413 0.0040447 0.000597554 0.00143234 66
19751 121 C 24.8737 33.869 86.0207 0.00213254 -0.00399587 0.00603676 66
19752 122 C 24.575 34.8743 87.1385 0.00279109 0.00112716 0.0029167 66
19753 123 C 25.2023 34.2898 88.4388 0.004376 -0.000318512 5.10034e-05 66
19754 124 C 24.8363 35.0125 89.7203 -0.0031666 -0.000640337 -0.000913614 66
19755 125 C 25.3665 34.2563 90.9347 -0.000239206 0.00398111 -0.00132604 66
19756 126 C 24.9687 34.9417 92.2485 -0.00498823 0.000957821 -0.00510234 66
19757 127 C 25.4163 34.1322 93.5081 -0.0017113 -0.00061299 0.00111388 66
19758 128 C 24.6396 34.4286 94.8282 -0.00108598 0.00247716 -0.00630971 66
19759 129 C 24.9182 35.823 95.3192 0.0035364 -0.000726715 -0.0021003 66
19760 130 F 19.6997 39.3017 73.5579 -0.00295221 -0.00101197 0.00122485 66
19761 131 H 24.5643 43.1991 79.7868 -0.00902637 0.0018229 0.000504316 66
19762 132 H 24.5924 43.0741 77.3655 0.0132537 -0.00512877 -0.00171223 66
19763 133 H 23.4622 41.2081 76.221 -0.00318947 -0.00946302 -0.00458086 66
19764 134 H 17.3517 39.6188 79.4532 -0.00987294 -0.0165857 -0.0151212 66
19765 135 H 17.5453 39.3469 77.0647 0.00283028 -0.00973955 -0.00817786 66
19766 136 H 19.7926 38.9857 76.0575 -0.0160333 0.0116469 -0.00492319 66
19767 137 H 24.5467 34.9756 80.3146 -0.00719247 -0.0039037 0.000711307 66
19768 138 H 24.5335 34.8464 77.8553 0.00770036 0.0181061 -0.0144116 66
19769 139 H 23.4317 36.5384 76.5552 -0.000480285 0.0105329 -0.00254185 66
19770 140 H 22.6966 35.6707 71.2761 0.00079465 -0.00423946 0.00965459 66
19771 141 H 23.4365 36.7363 73.367 0.0014962 0.0204232 0.00261343 66
19772 142 H 17.5392 32.0917 67.4141 -0.0146835 0.0159488 0.00805894 66
19773 143 H 17.7173 31.8419 64.878 0.0102601 -0.0122263 0.00113571 66
19774 144 H 18.5205 34.0072 68.5283 -0.00287826 0.00877983 0.00268111 66
19775 145 H 24.9188 36.3809 67.0037 0.00286076 -0.00149827 -0.0101652 66
19776 146 H 24.8147 36.062 64.4416 -0.00683021 -0.000280751 -0.0135008 66
19777 147 H 22.8917 36.2687 68.3102 -0.00559633 0.00396848 0.00194774 66
19778 148 H 17.9834 40.3188 67.1706 -0.00123808 -0.00699831 0.00994599 66
19779 149 H 17.9662 40.3033 64.711 -0.00208382 -0.007338 0.00015927 66
19780 150 H 20.0387 35.9323 63.5379 -0.00184869 -0.00460785 0.00201151 66
19781 151 H 18.919 38.3719 68.4165 0.00585858 0.00430063 0.00248347 66
19782 152 H 22.0445 39.2608 81.1707 0.0118823 -0.00702423 0.002327 66
19783 153 H 23.0474 33.536 63.0349 0.00278217 0.00330827 0.00910396 66
19784 154 H 21.439 33.9224 63.5748 -0.00620716 -0.00360685 -0.00570501 66
19785 155 H 20.7699 33.3432 61.5989 -0.000205957 0.000266475 -0.00681604 66
19786 156 H 22.3755 33.4052 60.924 0.00909505 0.0081492 -0.00149361 66
19787 157 H 21.948 36.0394 60.7581 0.0128326 -0.00850044 0.0019186 66
19788 158 H 20.2375 35.5613 61.0517 -0.0013231 -0.00835404 -0.0088613 66
19789 159 H 20.217 34.11 59.1037 -0.010256 0.00945929 -0.00189736 66
19790 160 H 21.9097 34.4555 58.7601 0.000433399 0.0104062 -0.0153109 66
19791 161 H 21.5176 36.6747 58.1665 -0.00212502 0.00478873 -0.0108586 66
19792 162 H 19.8509 36.6424 58.8088 0.00861444 -0.00403745 0.0144478 66
19793 163 H 20.1765 36.6071 56.2899 0.00347061 0.00706872 0.00663003 66
19794 164 H 19.0649 35.3396 56.8959 0.0126524 -0.0200231 0.0046427 66
19795 165 H 20.8375 33.6436 56.7165 0.0176768 -0.00852446 -0.00651138 66
19796 166 H 22.0242 34.8483 56.3037 -0.00172038 -0.00511811 0.00161521 66
19797 167 H 19.5691 34.1799 54.5296 -0.00702822 -0.000476379 0.00956461 66
19798 168 H 21.2103 33.565 54.2769 -0.000291951 -0.00522112 0.0136369 66
19799 169 H 21.9416 36.0481 54.1804 -0.00425149 0.00285153 -0.00175454 66
19800 170 H 20.24 36.4403 53.9982 0.0145915 0.0168447 0.00491461 66
19801 171 H 21.4375 34.3686 52.1117 -0.00476309 0.0010996 -0.00499104 66
19802 172 H 21.6837 36.1401 51.8474 0.00283169 0.00608303 0.00949358 66
19803 173 H 19.2544 36.3853 51.8918 0.000505683 0.00171677 -0.00892668 66
19804 174 H 19.0584 34.5904 52.0527 0.0138355 -0.00105497 0.0160355 66
19805 175 H 18.7906 35.0823 49.7034 0.000830134 -0.00931756 0.00310145 66
19806 176 H 20.3718 34.3578 49.8762 -0.0017497 -0.004259 -0.00421559 66
19807 177 H 20.2198 36.139 49.6807 -0.00582675 0.0014583 0.00732211 66
19808 178 H 16.9452 33.7363 63.048 -0.00220113 -0.0119535 -0.00327943 66
19809 179 H 17.8811 35.1937 62.5965 0.00465247 -0.00333808 -0.0111245 66
19810 180 H 18.8032 33.0661 60.8784 0.00293759 0.00351713 0.00816307 66
19811 181 H 17.1446 32.6098 61.1256 -0.00349887 -0.00138575 0.00349984 66
19812 182 H 16.4959 35.0558 60.3126 -0.000826395 0.00655262 0.000852182 66
19813 183 H 18.25 35.2968 60.1439 -0.000301016 -0.00102455 0.0249466 66
19814 184 H 16.9951 34.7375 58.0145 -0.00897702 -0.00867756 -0.00350297 66
19815 185 H 18.4198 33.7277 58.2509 -0.00208989 0.00105469 -0.0049088 66
19816 186 H 17.1599 31.8051 58.6521 -0.00347167 -0.00725525 0.00436 66
19817 187 H 15.6905 32.7425 59.104 0.00420806 0.00315499 0.00728834 66
19818 188 H 15.5006 31.5935 56.9651 -0.0127212 0.00657972 0.00860193 66
19819 189 H 15.1968 33.3648 56.889 -0.00314389 0.00220484 -0.00260706 66
19820 190 H 17.6006 33.5786 55.8382 -0.00234262 0.00296276 0.00956164 66
19821 191 H 17.6086 31.8115 55.9719 0.000907965 0.00641158 -0.0116225 66
19822 192 H 15.6283 31.6256 54.6059 -0.00113841 -0.00357626 -0.00743559 66
19823 193 H 15.3939 33.3342 54.5049 0.0124116 0.0129746 0.000191245 66
19824 194 H 17.667 33.4563 53.1779 -0.00164313 0.000357087 -0.0056537 66
19825 195 H 17.6086 31.644 53.1251 0.00404106 -0.00254906 0.00167063 66
19826 196 H 15.4067 31.8244 51.9761 0.00401558 -0.00159615 9.75442e-05 66
19827 197 H 15.3999 33.5758 52.154 0.000482352 0.00338337 -0.00107822 66
19828 198 H 17.5043 33.6056 50.7757 0.00170199 -0.00239947 0.00885701 66
19829 199 H 17.3785 31.8481 50.557 -0.00146288 -0.00214789 -0.0108284 66
19830 200 H 16.43 33.3373 48.6346 0.00521374 0.00128993 0.00126257 66
19831 201 H 15.2494 32.1555 49.2388 0.000170571 -0.00106413 0.0078592 66
19832 202 H 15.1602 33.793 49.8246 -0.0144121 -0.0118038 0.00395462 66
19833 203 H 20.464 39.5036 62.7108 0.0109284 -0.00646679 0.00661376 66
19834 204 H 20.8301 37.7798 62.7585 0.00333069 -4.91943e-06 0.000885851 66
19835 205 H 20.8832 37.8 60.6109 0.00302843 -0.0048789 0.0152726 66
19836 206 H 19.1483 37.8259 60.5859 -0.00392804 -0.00154893 0.0131102 66
19837 207 H 19.1745 40.2366 59.8927 -0.00692781 -0.00721372 -0.00510291 66
19838 208 H 20.7193 40.4765 60.7179 0.0101957 -0.0075716 -0.000902206 66
19839 209 H 21.5443 40.6046 58.6189 -0.00436276 0.00560581 -0.00739506 66
19840 210 H 21.6965 38.8862 58.8506 -0.00508398 -0.00724823 0.00353565 66
19841 211 H 19.4253 38.652 57.5945 0.00425161 -0.00624884 -0.00449656 66
19842 212 H 19.5702 40.4047 57.2714 -0.00140713 -0.00146351 0.0196438 66
19843 213 H 21.8103 40.0074 56.1909 0.0141438 -0.00526293 0.011729 66
19844 214 H 21.6701 38.2945 56.5658 -0.00681927 -0.00587997 -0.00550604 66
19845 215 H 21.0884 38.3384 54.4017 -0.00977127 0.0021382 -0.00927251 66
19846 216 H 19.5478 38.1888 55.2008 0.00977977 -0.0119828 0.00572254 66
19847 217 H 18.8705 40.3856 54.6445 -0.00599797 -0.00112567 -0.00768538 66
19848 218 H 20.5184 40.8734 54.0979 -0.00392273 0.00353748 -0.0128886 66
19849 219 H 18.9304 38.6042 52.7737 -0.00522822 0.000619203 0.00571061 66
19850 220 H 18.7802 40.2581 52.2055 0.00636297 0.0109248 0.00692813 66
19851 221 H 21.4007 40.1728 51.9568 0.00728728 -0.00306331 -0.0182611 66
19852 222 H 21.296 38.4224 52.2028 0.00292015 0.00893893 0.00906608 66
19853 223 H 19.5989 38.4195 50.2956 0.0111073 -0.0108855 0.00607103 66
19854 224 H 19.9519 40.1321 49.9915 0.0145262 -0.00298045 -0.0180365 66
19855 225 H 21.3886 38.6441 48.5194 -0.00124608 -0.00230693 0.00673809 66
19856 226 H 22.3923 39.582 49.6204 -0.00674299 0.012819 0.00483437 66
19857 227 H 22.0689 37.8788 49.9622 -0.00952741 -0.00593347 -0.00408605 66
19858 228 H 17.8047 40.6331 81.9438 0.00501488 0.00131732 -0.00317868 66
19859 229 H 17.1342 39.0585 81.3881 0.00329549 0.00925747 -0.00468214 66
19860 230 H 18.0053 37.8943 83.3682 -0.000974083 0.00173566 0.00622072 66
19861 231 H 18.9206 39.3786 83.8291 -0.00117627 0.0139426 -0.00679967 66
19862 232 H 16.832 40.4929 84.1685 0.00169004 -0.00660889 -0.00306296 66
19863 233 H 15.8735 38.993 83.9205 -0.00147909 -0.00133822 0.00397282 66
19864 234 H 17.0988 37.9595 85.864 -0.0192354 -0.00406856 -0.0148843 66
19865 235 H 18.2225 39.2849 85.8816 0.00238865 -0.00413941 -0.0120158 66
19866 236 H 16.5409 40.9227 86.5712 0.00561681 -0.00135115 0.0096499 66
19867 237 H 15.3286 39.657 86.6663 -0.000188866 -0.00324722 0.0097197 66
19868 238 H 16.7723 38.5055 88.3942 0.0177023 -0.00328039 -0.0052219 66
19869 239 H 18.0365 39.7299 88.167 -0.00461026 -0.00196698 0.0133161 66
19870 240 H 16.5319 41.4917 89.0856 -0.0146181 0.00161337 0.00109284 66
19871 241 H 15.1593 40.3674 89.1149 0.00126281 -0.00961251 -0.00583984 66
19872 242 H 15.9322 40.227 91.3782 0.000827412 -0.00396349 -0.00135727 66
19873 243 H 16.75 38.8342 90.6213 -0.00764837 0.00248237 -0.0105507 66
19874 244 H 18.8447 40.0591 90.3056 0.00136173 0.00368416 -0.00385962 66
19875 245 H 18.1958 41.5359 91.0386 -0.0012976 0.000656033 -0.00408554 66
19876 246 H 18.2155 38.7738 92.3838 -0.00338294 0.00135362 -0.0136161 66
19877 247 H 19.5236 39.9793 92.6022 0.000682558 0.00930364 -0.00770402 66
19878 248 H 18.0273 41.4376 93.7219 0.00114446 -0.00172739 0.00754421 66
19879 249 H 16.6068 40.5159 93.3866 -0.00994326 -0.00794951 0.0342155 66
19880 250 H 18.8591 39.5332 95.2099 -0.002518 0.0068593 0.00437527 66
19881 251 H 17.3093 40.1619 95.7982 0.00386879 0.000183878 0.00644008 66
19882 252 H 17.3053 38.6697 94.9108 -0.00506228 0.00188177 -0.0109655 66
19883 253 H 24.1514 43.3964 81.7561 0.00382908 -0.00910221 -0.012841 66
19884 254 H 22.3537 43.3684 81.9543 0.00637404 0.0104272 -0.00407311 66
19885 255 H 22.6592 41.881 83.9761 0.0100135 -0.0069266 0.0103581 66
19886 256 H 24.3677 41.6834 83.4532 0.00322457 -0.00221118 0.000418724 66
19887 257 H 24.7244 44.1335 84.0797 0.00972494 -0.000838613 0.011448 66
19888 258 H 22.9966 44.1486 84.5207 -0.00129156 -0.00400296 0.0216352 66
19889 259 H 23.5604 42.234 86.1918 -0.000675237 -6.20348e-05 0.000502061 66
19890 260 H 25.1925 42.4754 85.8685 -0.00722725 -0.0105593 0.00434555 66
19891 261 H 24.9348 44.9324 86.7861 -0.0034665 0.000465242 0.00475464 66
19892 262 H 23.2522 44.4815 87.0988 0.00806271 0.0238189 0.0025773 66
19893 263 H 24.0155 42.5222 88.5256 -0.00351348 0.00260625 -0.00288626 66
19894 264 H 25.6937 43.0923 88.2315 -0.00138246 -0.00244684 -0.0099381 66
19895 265 H 24.8638 45.3138 89.3305 -0.0078741 0.005208 0.0213239 66
19896 266 H 23.3514 44.4334 89.6596 -0.00225693 -0.015133 -0.0110867 66
19897 267 H 24.7857 42.7118 90.9806 -0.000192217 0.000502299 0.00767138 66
19898 268 H 26.1509 43.8008 90.6791 0.000899848 -0.00491994 0.00325375 66
19899 269 H 24.9587 45.5081 92.149 0.0177715 -0.00430344 0.0138925 66
19900 270 H 23.5618 44.3753 92.2774 -0.00172857 -0.00534245 0.00508064 66
19901 271 H 25.207 42.7318 93.364 -0.000385232 -0.00329896 0.0250648 66
19902 272 H 26.488 43.953 93.1621 -0.00146723 -0.0035106 0.0136631 66
19903 273 H 25.2328 45.5471 94.6191 0.00430619 0.00343751 0.0116405 66
19904 274 H 23.8698 44.458 94.6085 0.00130558 0.00545915 -0.00127018 66
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19916 286 H 23.4924 34.9678 87.2892 0.00487139 0.0080916 0.013635 66
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19925 295 H 25.4109 35.9456 92.2421 -0.014692 0.00527896 0.00499244 66
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19930 300 H 24.2057 36.1509 96.0862 -0.0013782 -0.0078072 -0.00365735 66
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19934 2 C 27.9959 35.5352 78.8264 -0.000427129 0.000479537 0.00524223 67
19935 3 C 27.2671 34.499 78.2694 0.00524485 0.00213265 0.00342265 67
19936 4 C 26.6604 33.5773 79.0992 -0.000403966 0.00417365 0.000720938 67
19937 5 C 26.6813 33.7425 80.5283 0.00351262 -0.000335667 -0.00606984 67
19938 6 C 27.3486 34.857 81.0962 -0.000247356 0.00461748 -0.00543774 67
19939 7 C 22.0679 32.4745 80.3686 0.00290768 -0.000279246 0.00489746 67
19940 8 C 22.1251 32.3273 78.9957 -0.000992741 -0.00226439 0.00602103 67
19941 9 C 23.3676 32.28 78.359 0.000515587 0.00225203 0.000564276 67
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19943 11 C 24.5026 32.517 80.5431 -0.00430184 -0.00100173 0.000517336 67
19944 12 C 23.2278 32.5391 81.1625 -0.00643543 0.00276266 -0.00252914 67
19945 13 C 27.7124 29.1732 80.8154 -0.00048507 -0.000222986 -0.00159038 67
19946 14 C 27.7754 29.0915 79.41 0.00277929 0.00138443 -0.00191396 67
19947 15 C 27.302 30.1535 78.6393 -0.00174691 -5.27839e-05 -0.00112387 67
19948 16 C 26.6462 31.2201 79.3083 -0.00068533 0.00246285 -0.000924848 67
19949 17 C 25.9539 32.3673 78.5963 -0.00305686 0.00203824 -0.00064717 67
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19954 22 C 25.8993 32.1868 77.1484 -0.00622956 -0.000245745 0.00277993 67
19955 23 C 25.7744 31.8452 75.9983 -0.000404917 -0.00103733 0.00090422 67
19956 24 C 25.4551 31.3857 74.6857 0.0035479 0.000526636 0.000809501 67
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19959 27 C 24.6059 30.2884 72.2596 -0.00280273 -0.00160259 -0.000123441 67
19960 28 C 25.5234 29.5712 73.0658 -0.00334333 -0.00331977 0.000872798 67
19961 29 C 25.9592 30.121 74.2724 -0.000568133 0.000644005 -0.000991901 67
19962 30 C 24.2305 29.7753 70.9908 0.00157991 0.00279313 0.00344573 67
19963 31 C 23.9886 29.4962 69.8395 -0.00105036 -0.00104774 -0.00343722 67
19964 32 C 22.22 25.939 67.856 -0.00147985 -0.00108894 0.00203986 67
19965 33 C 22.2251 25.927 66.4643 0.00521818 -0.00113523 0.00328691 67
19966 34 C 22.8387 26.9484 65.7225 7.68166e-06 -0.00153826 0.00330755 67
19967 35 C 23.3662 28.0546 66.422 -0.00145563 0.00215658 0.00176242 67
19968 36 C 23.377 28.1008 67.8504 0.00204715 0.00356164 0.00305855 67
19969 37 C 22.7951 27.024 68.5552 -0.00055294 -0.000252203 8.58286e-05 67
19970 38 C 23.9889 29.3932 68.3949 -0.00674456 0.00365083 -0.000953286 67
19971 39 C 27.8571 29.3912 67.8338 0.000221035 -0.0017093 0.000730446 67
19972 40 C 27.8831 29.4324 66.4347 0.000876299 -0.00318757 -0.000157295 67
19973 41 C 26.6877 29.4631 65.7015 -0.0027419 0.000346073 0.000368604 67
19974 42 C 25.4788 29.372 66.393 0.00268945 0.00379703 -0.00230946 67
19975 43 C 25.4223 29.3807 67.7946 0.00166165 0.000409849 0.000454118 67
19976 44 C 26.6265 29.3951 68.515 -1.25289e-05 -0.00247452 0.00148123 67
19977 45 C 21.7777 32.4508 67.4852 -0.000388486 -0.00355573 0.000276783 67
19978 46 C 21.843 32.3557 66.0699 -0.00101137 -0.00580921 0.00379374 67
19979 47 C 22.6453 31.3989 65.4176 -0.005092 -0.00285524 0.00527804 67
19980 48 C 23.293 30.4515 66.2299 -0.00610536 -0.00149389 -0.0029702 67
19981 49 C 24.0696 29.2318 65.7725 0.00116742 0.00426998 0.00274801 67
19982 50 C 23.2563 30.5438 67.648 -0.00177274 -0.00318277 0.0012275 67
19983 51 C 22.5018 31.5446 68.2694 -0.00128842 0.00141399 -0.00204076 67
19984 52 O 26.7145 29.7678 64.3741 -7.30086e-05 -0.00202589 -0.000397402 67
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19986 54 O 22.727 31.3628 63.9979 -0.000422968 -0.000954823 -0.00442056 67
19987 55 C 25.9043 32.5808 81.2375 0.0011492 -0.00172697 0.00155852 67
19988 56 C 26.5828 31.3206 80.7266 0.00415821 0.0028094 0.00652668 67
19989 57 C 26.5117 28.8434 63.3466 -0.00200728 0.00090165 -9.55232e-05 67
19990 58 C 26.0856 29.6103 62.0684 0.00254184 0.004973 0.00510095 67
19991 59 C 25.7859 28.7572 60.796 0.00475815 0.00085208 0.00186519 67
19992 60 C 25.5547 29.6586 59.5508 0.00383619 0.00212173 0.0016225 67
19993 61 C 25.4199 28.8274 58.3148 -0.00232713 0.00202448 -0.000159084 67
19994 62 C 25.0765 29.6243 57.0667 -0.0043995 0.00341873 -0.000435136 67
19995 63 C 25.0694 28.8035 55.7492 -0.00216783 -0.00134257 -0.00205985 67
19996 64 C 24.7166 29.6872 54.5243 0.00301338 -0.00426965 0.000401005 67
19997 65 C 25.0418 29.103 53.0937 0.00519636 -0.00103773 -0.0039925 67
19998 66 C 23.8864 28.4029 52.3556 -0.000171512 -0.00312913 -0.000693131 67
19999 67 C 24.1895 28.0606 50.8538 -0.000745812 -0.00106516 -0.00014871 67
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20003 71 C 23.8759 26.0242 62.3834 0.00158027 0.000197486 0.00161245 67
20004 72 C 24.1838 24.9123 61.3937 0.000792649 -0.00172067 -0.000897822 67
20005 73 C 23.9999 25.2628 59.9052 -0.00207495 0.00101211 0.00111345 67
20006 74 C 24.5577 24.1501 59.0264 0.000981952 -0.00317621 0.000504651 67
20007 75 C 24.9403 24.6987 57.669 7.52015e-06 -0.000733611 -0.00104858 67
20008 76 C 23.9135 24.7393 56.5382 0.00439738 -0.00183304 -0.00616722 67
20009 77 C 24.6264 24.9239 55.1607 -0.00094682 -0.00613183 -0.00346946 67
20010 78 C 23.6964 24.7657 53.9593 0.000920372 0.000871257 -0.000208652 67
20011 79 C 24.477 24.6964 52.6449 -0.00500576 -0.00405586 -0.00484965 67
20012 80 C 23.6043 24.3348 51.4223 0.000405011 0.00291607 -0.000529843 67
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20014 82 C 22.1217 30.354 63.2142 0.000567535 -0.00183349 0.000749734 67
20015 83 C 22.236 30.6792 61.7022 -7.29924e-05 -0.00198325 0.000995405 67
20016 84 C 21.9569 29.5398 60.7059 -0.000741694 0.00279093 -0.00200494 67
20017 85 C 21.8491 29.9944 59.193 0.00112709 0.0013108 0.000483641 67
20018 86 C 20.8597 31.1392 58.8625 -0.00424653 0.00128175 0.000729087 67
20019 87 C 20.0949 30.9407 57.5346 -0.00346413 0.000769855 5.89857e-05 67
20020 88 C 21.0428 30.8687 56.3081 -0.00166481 0.00544062 0.00125578 67
20021 89 C 20.2678 31.0449 54.9796 0.00077012 0.00171995 -0.000595633 67
20022 90 C 21.1904 30.8958 53.7576 -0.00155321 -0.00191043 0.00159818 67
20023 91 C 20.6218 31.4692 52.444 0.00102312 -0.000176277 0.00283272 67
20024 92 C 20.0105 30.4368 51.4792 -0.00362391 0.00310096 0.00229843 67
20025 93 C 19.8664 30.952 50.0401 -0.00246363 0.0011972 0.00239092 67
20026 94 C 21.7654 33.0276 83.1453 0.00265941 -0.00082358 -0.00254626 67
20027 95 C 21.803 33.0695 84.7162 0.00172942 -0.00203867 -0.00063608 67
20028 96 C 20.395 33.0433 85.3427 0.00385678 -0.00170998 0.00126773 67
20029 97 C 20.363 32.477 86.7507 -0.00215948 0.00230722 0.00337217 67
20030 98 C 21.3153 33.1108 87.8071 -0.000832847 5.13398e-05 0.00133875 67
20031 99 C 20.9124 32.5346 89.1558 -0.00309298 -0.000690066 0.00153425 67
20032 100 C 21.7358 33.0065 90.3844 0.00686329 0.000568796 -0.00195244 67
20033 101 C 21.1339 32.3468 91.6602 -0.00245801 0.000138748 0.00188115 67
20034 102 C 21.6603 32.8533 93.0105 -0.00330437 0.000161922 0.000701625 67
20035 103 C 20.7 32.5784 94.1786 -0.00109086 0.00157029 0.00100085 67
20036 104 C 21.1289 32.9831 95.6015 -0.00313699 -0.00336279 0.00470652 67
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20040 108 C 28.7857 36.7234 85.6007 0.00454834 0.00280662 0.00173678 67
20041 109 C 28.1328 37.0348 86.9393 0.00189831 -3.92592e-05 -0.000589157 67
20042 110 C 29.0431 37.0261 88.1844 0.00181898 0.00351327 -0.00148088 67
20043 111 C 28.1932 36.884 89.4468 0.00345128 0.00260437 0.00288167 67
20044 112 C 28.9944 36.9641 90.7434 0.000217229 0.00120071 -0.00585213 67
20045 113 C 28.1531 36.7105 91.9977 0.00137122 -0.00218557 0.00117656 67
20046 114 C 28.9715 37.0281 93.2612 -0.00346853 -0.0014655 -0.00075342 67
20047 115 C 28.0794 36.9529 94.5059 -0.000370827 -0.00234352 0.00182118 67
20048 116 C 28.8286 37.2621 95.7934 0.000427057 -0.000770957 -0.00914596 67
20049 117 C 27.9568 37.1062 97.0329 0.00030304 0.00389209 -0.000454442 67
20050 118 C 27.6535 29.288 83.6795 -0.00254414 -0.000608507 0.000496145 67
20051 119 C 27.9677 29.6333 85.0997 -0.000601231 0.00273648 -0.00062174 67
20052 120 C 28.2445 28.4417 86.0293 0.000788292 0.00419712 0.00172496 67
20053 121 C 28.4991 28.9056 87.477 0.00268088 -0.0016003 0.00442727 67
20054 122 C 28.7259 27.6868 88.4089 0.00129689 0.00240855 0.00642117 67
20055 123 C 28.7084 28.1749 89.9163 -0.0027052 0.0019503 0.001066 67
20056 124 C 29.0223 26.9806 90.8487 -0.000548547 -0.00131135 -0.00167001 67
20057 125 C 28.5871 27.059 92.3273 0.00671094 0.00127242 -0.0035253 67
20058 126 C 28.9986 28.3485 93.0649 0.00403853 0.00124725 0.00137247 67
20059 127 C 29.226 28.0795 94.5825 -0.00374175 -0.00465039 -0.0014291 67
20060 128 C 27.974 27.5124 95.3113 -0.000933253 0.000103419 0.0015138 67
20061 129 C 28.2614 27.0682 96.7581 -0.00118351 0.00535178 -0.00129934 67
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20492 258 H 31.638 44.7989 84.7077 0.0049824 0.00259365 0.0102365 68
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20501 267 H 30.2569 43.2549 91.5607 -0.00432921 -0.00432706 -0.00468506 68
20502 268 H 30.9114 41.9434 90.6433 -0.00586707 -0.00426366 0.00743323 68
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20512 278 H 31.5923 34.813 82.5713 -0.0166801 0.00371332 0.00108818 68
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20514 280 H 31.1175 36.1513 84.6431 0.00388914 -0.0060299 0.00786378 68
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20516 282 H 33.7456 34.6026 84.921 -0.00418006 -0.00403778 -0.0122344 68
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20519 285 H 31.2314 34.8279 86.6833 6.89937e-05 0.00247195 -0.0078531 68
20520 286 H 32.6619 36.4937 87.5306 -0.00331038 -0.00508564 -0.00912576 68
20521 287 H 34.1091 35.6854 86.9897 0.00268268 -0.00178968 0.000601715 68
20522 288 H 34.4712 34.7811 89.0136 0.00436852 0.00758218 -0.0118674 68
20523 289 H 33.0244 33.7929 88.7497 0.0144856 -0.00514752 0.0111312 68
20524 290 H 31.5851 35.4451 89.8162 0.00257836 0.00728164 -0.00766921 68
20525 291 H 33.0001 36.448 90.2418 -0.012497 0.00311296 0.00152381 68
20526 292 H 34.0741 34.5909 91.5096 -0.00247654 0.000252916 -0.00926325 68
20527 293 H 32.7173 33.5505 91.1581 0.0071517 -0.00613095 -0.00156509 68
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20530 296 H 33.7267 34.3413 94.0366 0.00036834 -0.00964216 -0.000915058 68
20531 297 H 32.3324 33.268 93.7136 -0.0154989 0.00448997 -0.0191567 68
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20533 299 H 32.143 35.8826 95.3598 -0.00207602 0.00115892 -0.00624326 68
20534 300 H 33.3035 34.0679 96.6904 -0.00317454 0.00399 0.00206089 68
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20537 1 C 35.7245 35.5934 79.7219 -0.00318181 -0.000373224 0.00278405 69
20538 2 C 35.6392 35.4475 78.3387 0.00673998 0.00215627 0.00377213 69
20539 3 C 34.9285 34.3502 77.8558 0.00245332 -0.00377806 -0.00152443 69
20540 4 C 34.3672 33.4179 78.7536 0.00253265 0.00409127 -0.00245243 69
20541 5 C 34.506 33.4976 80.1814 0.00313293 -0.000113263 -0.000344373 69
20542 6 C 35.1445 34.6771 80.6639 -0.000187172 -0.00226753 -0.00218419 69
20543 7 C 29.9027 32.2981 80.3787 0.00228896 -0.00104196 0.00260967 69
20544 8 C 29.9052 32.1614 78.993 0.00103131 -0.00298419 -0.00210768 69
20545 9 C 31.0728 32.1043 78.2987 -0.00338257 0.00253693 0.0020069 69
20546 10 C 32.2916 32.197 78.9678 0.00314428 -0.000318251 0.00341714 69
20547 11 C 32.33 32.3377 80.3811 0.00336254 -0.0025844 -0.000675743 69
20548 12 C 31.1133 32.4596 81.1065 0.00488268 0.00274919 -0.00138703 69
20549 13 C 35.6069 28.902 80.3115 -0.000990804 -0.00159015 0.00188594 69
20550 14 C 35.6481 28.9524 78.9179 -0.00365746 -0.000959489 0.00679985 69
20551 15 C 35.0259 29.9823 78.222 0.00350132 -6.31018e-07 0.00312324 69
20552 16 C 34.3952 30.9668 78.9452 -0.00724245 0.00114376 0.00218054 69
20553 17 C 33.6383 32.1553 78.2816 -0.000407594 -0.00539841 0.00511159 69
20554 18 O 35.1753 29.9195 82.4401 -0.000240196 -0.00117096 0.000313604 69
20555 19 O 31.0811 32.6623 82.4763 -0.00188035 -0.00149909 -0.00533299 69
20556 20 O 35.2822 34.93 82.0274 -0.000208136 -0.00116537 -3.29951e-05 69
20557 21 C 35.0018 29.9123 81.0769 0.00333157 0.000827238 0.00203539 69
20558 22 C 33.6007 32.0157 76.7939 0.00177402 0.00186815 0.00172605 69
20559 23 C 33.4419 31.7821 75.6162 -0.00314818 0.00363188 0.00224911 69
20560 24 C 33.127 31.3078 74.3108 0.000342661 -0.000120623 0.0044228 69
20561 25 C 32.8355 29.9435 74.1361 -0.00193181 0.00296779 0.00168346 69
20562 26 C 32.5535 29.4379 72.8402 0.00325735 0.00282972 0.00265122 69
20563 27 C 32.5018 30.3657 71.7451 -0.00206806 0.00244062 -0.00388582 69
20564 28 C 32.8292 31.7213 71.9374 0.003481 0.00324657 -0.00192902 69
20565 29 C 33.1135 32.1951 73.2094 0.00162826 -0.000331828 -0.00201424 69
20566 30 C 32.254 29.9004 70.4275 0.00188379 -0.000526765 -0.00183193 69
20567 31 C 32.0346 29.6587 69.2615 -0.00111214 -0.00024568 0.00332082 69
20568 32 C 30.0304 26.1506 67.2768 0.000514012 0.000459301 -0.00287827 69
20569 33 C 30.0858 26.0906 65.864 0.000244516 -0.0026691 0.00336205 69
20570 34 C 30.7081 27.1052 65.1134 -0.00102989 0.000165011 0.0011232 69
20571 35 C 31.2849 28.1654 65.8269 -0.000901238 -0.000843886 -0.000808622 69
20572 36 C 31.1951 28.2899 67.2359 -0.000289439 0.000436597 0.00600407 69
20573 37 C 30.5901 27.2419 67.9738 0.000860557 0.00443337 0.00114078 69
20574 38 C 32.0107 29.4999 67.788 0.00123925 0.00424907 -0.00088292 69
20575 39 C 35.8129 29.6002 67.2011 -0.00124515 -0.000122713 -0.00232365 69
20576 40 C 35.8474 29.5024 65.8069 -0.00304156 0.00126116 -0.00637401 69
20577 41 C 34.6521 29.3758 65.0848 -0.00240151 -0.000852865 -0.00202278 69
20578 42 C 33.4298 29.3238 65.7474 0.00158499 -0.00357007 0.000631254 69
20579 43 C 33.4184 29.4568 67.1503 0.000455352 -0.000919623 -0.00331129 69
20580 44 C 34.5846 29.5815 67.8883 -0.00191827 -0.00239488 -0.00132207 69
20581 45 C 30.1113 32.7381 66.8479 0.00231987 0.00398285 0.00136394 69
20582 46 C 30.032 32.5702 65.4678 -0.00126604 0.000699169 -0.000901951 69
20583 47 C 30.7248 31.4972 64.8261 0.0020155 0.00224598 0.00118124 69
20584 48 C 31.3578 30.569 65.6444 -0.00247901 -0.0027092 0.00149482 69
20585 49 C 32.0384 29.2984 65.1203 -0.00014475 0.000461402 -0.00296035 69
20586 50 C 31.3355 30.6536 67.048 -0.000776542 -0.00184664 -0.00316637 69
20587 51 C 30.7546 31.7904 67.6548 0.00213426 0.00574311 -0.00142109 69
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21143 3 C 43.0198 34.5585 77.9837 0.00230912 -0.00211416 -0.004971 71
21144 4 C 42.3715 33.4994 78.6755 0.00250432 -0.000750883 -0.00153562 71
21145 5 C 42.3682 33.4294 80.1073 0.00159911 -0.00141512 0.00388372 71
21146 6 C 43.0095 34.4452 80.8652 0.00215952 -0.00184752 0.000427801 71
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21153 13 C 43.3802 28.8751 79.8978 -0.00237768 -0.0026383 -0.00208331 71
21154 14 C 43.2864 28.8994 78.5264 0.00589471 0.000859225 0.000807595 71
21155 15 C 42.7214 29.9473 77.8868 -0.00320103 -0.00256801 -0.00105281 71
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21203 63 C 39.441 27.9788 55.498 0.00273691 -0.000249611 0.00409559 71
21204 64 C 40.4054 28.3121 54.3421 -0.00188016 0.000435159 -0.00361562 71
21205 65 C 39.8522 27.8491 52.9483 -0.0056359 -0.00552845 -0.000970316 71
21206 66 C 40.7172 28.3381 51.7644 -0.0014405 -0.00571985 0.00538178 71
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21251 111 C 44.721 36.467 88.8995 -0.00342145 0.00143689 0.00158857 71
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21254 114 C 44.9014 36.0916 91.878 0.000231447 0.000794807 9.83144e-06 71
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21259 119 C 43.8712 28.9283 84.2144 -0.000748554 0.00164835 -0.00240799 71
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21265 125 C 44.492 27.8934 91.3161 -0.00466026 0.00256499 -0.00145332 71
21266 126 C 45.3836 28.0478 92.5328 0.00175952 -0.00298255 -0.00134257 71
21267 127 C 44.5535 27.8747 93.8169 -0.0023049 -0.00407636 0.00156744 71
21268 128 C 45.4367 28.0932 95.0804 -0.00457131 -0.00162373 -0.000184512 71
21269 129 C 44.5481 28.234 96.337 0.00222776 -0.00104689 -0.00170369 71
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21445 3 C 47.0282 41.108 77.3767 0.00087826 -0.00168256 -0.00332328 72
21446 4 C 46.3866 40.149 78.1883 -0.00540401 -0.00244953 0.000496823 72
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21493 51 C 42.3789 38.4828 67.7995 -0.00152383 0.00126569 0.00179183 72
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21729 287 H 47.3414 33.0078 87.3235 0.00165442 0.00750449 0.00747085 72
21730 288 H 47.4239 35.208 88.433 0.000225473 -0.00606622 -0.00296244 72
21731 289 H 49.1706 35.2399 88.2563 -0.0080512 0.0194609 0.00231205 72
21732 290 H 49.4364 33.2122 89.7661 0.000575328 0.00164932 0.011569 72
21733 291 H 47.712 33.0796 89.9114 0.0010634 0.00476094 0.00766071 72
21734 292 H 47.5806 35.3006 90.9901 -0.00496093 -0.00748523 -0.0141795 72
21735 293 H 49.3314 35.5039 90.8441 -0.000495241 0.00233827 -0.000643461 72
21736 294 H 49.7375 33.5012 92.3544 -0.0057282 -0.00813167 -0.00779347 72
21737 295 H 48.0018 33.2781 92.5441 0.00235488 -0.00483033 0.000301318 72
21738 296 H 47.8464 35.4438 93.7206 -0.00716791 -0.00972927 -0.0105414 72
21739 297 H 49.4662 35.8701 93.1009 -0.013368 0.0152319 -0.000857475 72
21740 298 H 50.3756 33.9607 94.4829 0.00100685 -0.00113108 -0.00674753 72
21741 299 H 48.7269 33.8045 95.1745 -0.0101151 0.00535621 -0.0146616 72
21742 300 H 48.8961 36.2431 95.961 -0.000453558 -0.00221115 -0.0098158 72
21743 301 H 50.5394 36.2647 95.4004 -0.00339222 0.000656572 -0.0107735 72
21744 302 H 50.0319 35.1611 96.7405 -0.0344117 -0.00926763 0.00742305 72
ITEM: TIMESTEP
104000
ITEM: NUMBER OF ATOMS
21744
ITEM: BOX BOUNDS pp pp pp
0.0000000000000000e+00 4.7073061717199998e+01
0.0000000000000000e+00 4.0766467281007898e+01
0.0000000000000000e+00 9.6958885940000002e+01
ITEM: ATOMS id type element xu yu zu vx vy vz mol
1 1 C 1.79624 6.71631 31.69 0.000179228 0.00165671 -0.000707268 1
2 2 C 1.8895 6.64742 30.3173 -0.00202604 -0.00200833 0.000881048 1
3 3 C 1.37365 5.55473 29.6299 -0.000322798 -0.00098125 -0.00164562 1
4 4 C 0.713772 4.52455 30.356 0.00256105 -0.0012142 0.00375423 1
5 5 C 0.588342 4.62046 31.7833 0.00359782 0.00149447 0.00307363 1
6 6 C 1.11733 5.72801 32.437 -0.000945531 0.000125576 0.00482566 1
7 7 C -3.83746 3.33664 31.1045 -0.00311267 -0.000487944 -0.00194699 1
8 8 C -3.63713 3.30846 29.7313 0.0015236 0.00483989 -0.000127001 1
9 9 C -2.37004 3.19008 29.2396 0.000901947 0.000798936 0.00386905 1
10 10 C -1.2931 3.17076 30.1381 -0.00326758 -0.000801366 0.0033331 1
11 11 C -1.45828 3.32149 31.5311 0.00193547 0.00361233 -0.000555567 1
12 12 C -2.76295 3.40464 31.9924 -0.00686283 0.000851752 -0.0019929 1
13 13 C 1.68448 -0.105875 31.9444 0.00147381 0.000556526 -0.000696351 1
14 14 C 1.89657 -0.0990991 30.5468 0.00325543 0.00499955 -0.00326816 1
15 15 C 1.37606 0.960476 29.8021 -0.00170719 0.00375566 0.00183903 1
16 16 C 0.809793 2.06241 30.4519 0.00333457 -0.00408829 0.0013211 1
17 17 C 0.158007 3.22758 29.7182 -0.00106671 0.000980384 0.000238932 1
18 18 O 0.870636 0.893566 34.0128 0.00166783 -0.00387048 -0.0029619 1
19 19 O -3.00958 3.54486 33.3831 -0.00277564 -0.00311995 -0.00231209 1
20 20 O 1.01245 5.92725 33.7625 -0.000987235 -0.00456852 -0.00452651 1
21 21 C 1.05907 0.995342 32.6363 -0.000678001 0.000944467 0.000514077 1
22 22 C 0.462937 3.19836 28.2863 -0.000739517 -0.000949342 0.0015148 1
23 23 C 0.951874 3.24123 27.1814 -0.00134564 -0.000999376 -0.00110295 1
24 24 C 1.63509 3.35678 25.9514 0.00135534 -0.00176947 0.000308814 1
25 25 C 1.18939 4.19428 24.9231 0.00144132 -0.00183476 -0.000840278 1
26 26 C 1.95426 4.33525 23.7504 -0.0027579 -0.00106582 0.00285685 1
27 27 C 3.23351 3.70714 23.6479 0.000589444 0.00263168 -0.00277127 1
28 28 C 3.62072 2.80342 24.6609 0.00414188 -0.000277119 -0.00409564 1
29 29 C 2.80117 2.59738 25.8099 -0.00317148 0.00108432 -0.00250541 1
30 30 C 4.01119 3.78068 22.4183 0.0020266 -0.00320479 0.00429518 1
31 31 C 4.52452 3.85453 21.3053 -0.00125138 0.0047333 0.00592735 1
32 32 C 3.49548 0.186545 19.2631 -0.00255048 -0.00197767 -0.00119226 1
33 33 C 3.62059 0.181908 17.8457 0.00157056 0.00287699 0.00291589 1
34 34 C 4.15283 1.26054 17.1551 0.00540924 0.00656563 -0.00296829 1
35 35 C 4.63276 2.36411 17.8717 0.00149726 0.00165485 -0.000848464 1
36 36 C 4.46692 2.42934 19.2897 0.000987285 -0.00200783 -0.00146283 1
37 37 C 3.90704 1.3337 19.9824 -0.00242423 0.00325171 -0.000522593 1
38 38 C 4.93138 3.7614 19.8887 -0.000743924 0.00353046 0.00463187 1
39 39 C 8.82696 3.97704 19.8088 0.00126165 -0.000330754 0.00219123 1
40 40 C 9.02337 3.83417 18.4119 0.00330788 -0.00338185 0.00138709 1
41 41 C 7.91962 3.69862 17.5742 0.000546551 -0.00377835 -0.00257085 1
42 42 C 6.64356 3.66462 18.1389 0.00176216 -0.00463425 -0.00171923 1
43 43 C 6.40524 3.82681 19.5062 0.00560891 0.000203409 -0.00190058 1
44 44 C 7.53116 3.93117 20.3418 -0.00465 -0.00462556 0.00266027 1
45 45 C 3.22545 7.06282 18.6388 -0.0030932 -0.00221606 -0.00265695 1
46 46 C 3.45646 6.88201 17.2758 -0.00103964 -0.00120879 -0.000118431 1
47 47 C 4.12744 5.77461 16.7593 0.00529792 -0.00267383 -0.00245576 1
48 48 C 4.59478 4.82013 17.6747 0.00428585 -0.00395973 -0.00489684 1
49 49 C 5.37766 3.56739 17.2913 -0.00116657 -0.00359639 -0.00053586 1
50 50 C 4.32453 4.88862 19.0471 -0.00244632 0.000603046 -0.0011838 1
51 51 C 3.61797 6.03857 19.5284 -0.00257557 -2.78859e-05 -0.00128964 1
52 52 O 8.02113 3.59275 16.2153 -0.00110951 -0.000999676 0.00154902 1
53 53 O 4.06385 1.2569 15.7587 0.000535295 -0.00230187 0.00165427 1
54 54 O 4.38978 5.62908 15.4384 -0.000592153 -0.00502337 0.00100335 1
55 55 C -0.127083 3.39706 32.3585 0.00179148 0.0011656 -0.00392784 1
56 56 C 0.64891 2.1056 31.8424 -0.000957067 0.000875536 0.00091291 1
57 57 C 9.23869 3.78318 15.4492 -0.00239087 -3.45118e-05 -0.00187716 1
58 58 C 9.09424 2.98578 14.1293 -0.00328477 0.00176107 0.002067 1
59 59 C 8.16926 3.6708 13.1099 0.00394686 8.51938e-05 0.000665224 1
60 60 C 8.16676 2.86523 11.7826 -0.00325726 -0.000368985 -0.00356613 1
61 61 C 7.24047 3.50597 10.7547 0.00211612 -0.00146939 -0.00317169 1
62 62 C 6.98627 2.54935 9.5358 0.000775937 0.00263555 0.000749415 1
63 63 C 7.07801 3.25384 8.16943 0.00137283 0.00342694 0.000275793 1
64 64 C 6.67898 2.41005 6.98376 -0.00601459 0.00267412 -0.00147638 1
65 65 C 6.99577 3.0887 5.65935 -0.000346343 -0.00294649 0.00277093 1
66 66 C 6.77627 2.16651 4.42448 -0.00267338 0.000800386 -0.00560462 1
67 67 C 6.9836 3.00225 3.13224 0.00273902 -0.00203908 0.00118768 1
68 68 C 6.6581 2.26775 1.82204 -0.00474052 -0.00456348 0.000777004 1
69 69 F 1.5099 5.19774 22.7765 0.00104268 0.000682044 -0.00134093 1
70 70 C 5.16427 1.222 14.8776 0.000626288 -0.00135951 0.00434655 1
71 71 C 5.48654 -0.247506 14.4572 -0.00122607 4.65431e-05 0.000731929 1
72 72 C 6.30159 -0.187875 13.1156 -0.00397186 -0.00373531 0.00453002 1
73 73 C 6.62624 -1.5341 12.5505 0.00125081 -0.000204763 -0.00144962 1
74 74 C 5.935 -1.88646 11.2375 -0.00253065 0.00429229 0.00051454 1
75 75 C 6.5987 -1.20394 10.0109 -0.000554607 0.00364783 0.00183525 1
76 76 C 6.33326 -2.08299 8.76674 -0.00057786 -0.00152005 0.00447842 1
77 77 C 6.60643 -1.42232 7.39403 0.000896635 0.00426258 -0.00139285 1
78 78 C 6.52803 -2.48316 6.27821 -0.00342252 -0.00226887 -0.000377801 1
79 79 C 7.16333 -2.07572 4.92092 0.00102108 0.000718535 0.00297641 1
80 80 C 6.11872 -1.48716 3.99377 -0.000932562 7.84266e-05 0.00250162 1
81 81 C 6.6548 -1.31074 2.565 0.00208561 0.00564864 0.00151097 1
82 82 C 3.35053 5.92156 14.4625 -0.000144054 -0.000312839 0.00305391 1
83 83 C 3.00291 4.64889 13.6774 0.00063983 -0.00117795 -0.00105347 1
84 84 C 3.78872 4.453 12.3899 0.00156621 0.00480113 -0.0022187 1
85 85 C 3.15107 5.12994 11.1721 0.000958467 -0.00232659 0.00565616 1
86 86 C 3.9512 4.88454 9.91899 2.27542e-06 -0.00181365 -5.59428e-05 1
87 87 C 3.11673 5.3421 8.68973 -0.00101613 0.0021766 0.000885791 1
88 88 C 3.62111 4.72169 7.35176 0.00165495 0.00012655 -0.00442183 1
89 89 C 3.05763 5.49291 6.14798 0.000680247 -0.000356575 -0.0013999 1
90 90 C 3.42906 4.79165 4.81831 0.000704398 -0.00376484 0.000945399 1
91 91 C 3.02537 5.59062 3.59917 0.000617477 0.000713443 0.00513913 1
92 92 C 3.29655 4.8435 2.26294 -0.00377109 0.000181299 0.000210534 1
93 93 C 3.10648 5.7873 1.04769 -0.00120061 0.00145532 -0.0034366 1
94 94 C -4.16302 4.2547 33.868 -0.000613257 -0.00124763 -0.00357929 1
95 95 C -5.29953 3.3006 34.1654 -0.00242516 0.00025201 -0.00197661 1
96 96 C -6.18478 3.60696 35.4145 -0.00229578 -0.00520679 0.00332704 1
97 97 C -5.42153 3.47672 36.7448 0.00228633 0.00240648 -0.000319717 1
98 98 C -6.24422 3.8115 38.0012 0.000693766 0.00156669 0.00261165 1
99 99 C -5.43306 3.49714 39.3166 0.00302838 0.00395972 -0.00166131 1
100 100 C -6.17606 3.842 40.6023 -0.000994649 0.00622855 -0.00435534 1
101 101 C -5.5156 3.23844 41.8358 0.00293324 0.00126961 0.00394394 1
102 102 C -6.1748 3.77573 43.135 0.00176297 -0.000184723 0.00382019 1
103 103 C -5.44521 3.32436 44.3726 -0.00607395 0.00133346 0.00167929 1
104 104 C -5.98165 3.93952 45.6801 0.00380821 -0.00483628 0.00123899 1
105 105 C -7.34891 3.42318 46.1706 0.00145539 -0.000377392 -0.000445184 1
106 106 C 1.97778 6.67347 34.5768 -0.0025383 0.0037031 0.000981791 1
107 107 C 1.31744 7.06812 35.9366 0.00139625 0.00280188 0.00316717 1
108 108 C 2.29616 7.7391 36.9621 -5.3564e-05 -0.000706374 0.000159931 1
109 109 C 1.79654 7.44079 38.3956 -0.00296709 0.00139762 -0.00173954 1
110 110 C 2.59519 8.06469 39.5511 -0.00201619 0.000261498 0.000840471 1
111 111 C 1.94803 7.62628 40.869 -0.000826388 0.000480421 -0.00271449 1
112 112 C 2.60286 8.1502 42.1638 -0.00512348 -0.00220103 0.00277008 1
113 113 C 1.90951 7.5939 43.3852 0.00349759 0.00295375 0.000638915 1
114 114 C 2.62032 8.0367 44.7115 0.000599049 0.0018655 -0.00181706 1
115 115 C 2.35726 7.04639 45.8741 0.00129057 0.00072712 0.00212016 1
116 116 C 0.93133 7.13095 46.3881 0.00154823 -0.00270154 0.00285453 1
117 117 C 0.618203 8.12268 47.5048 0.000306005 0.00159737 -0.000282414 1
118 118 C 1.79205 0.136878 34.8769 0.00107358 -0.00104027 -0.00199791 1
119 119 C 1.25788 -0.213977 36.2499 0.000546868 -0.000315547 0.00229112 1
120 120 C 2.25757 -1.22291 36.8829 -0.00099943 -0.000370466 -0.00381004 1
121 121 C 2.0951 -1.59538 38.377 -0.00340278 -0.00417181 -5.63877e-05 1
122 122 C 2.16864 -0.442092 39.3682 -9.92861e-05 -0.00316761 0.00361395 1
123 123 C 2.4979 -0.970289 40.7881 -0.00667641 -0.000761783 -0.000948978 1
124 124 C 1.36769 -1.7528 41.4515 0.00147084 -0.00323812 0.00422883 1
125 125 C 1.34743 -1.45054 42.9986 0.00220193 0.000102379 -0.0017736 1
126 126 C 2.50941 -2.03476 43.8103 -0.00717562 0.00173087 0.000785132 1
127 127 C 2.56372 -1.57761 45.2973 0.00252029 0.000984142 0.000516254 1
128 128 C 1.26775 -1.86096 46.0747 0.000752313 0.00136147 0.00146759 1
129 129 C 1.3563 -1.43275 47.5408 -0.000704453 0.000363235 -0.00203265 1
130 130 F 0.0137586 4.86525 24.9993 0.00266938 0.000675913 -0.00395867 1
131 131 H 2.23395 7.58494 32.173 0.0105419 -0.000360279 -0.00648245 1
132 132 H 2.35568 7.45412 29.7593 -0.00890561 -0.00358709 -0.00715623 1
133 133 H 1.47602 5.53096 28.549 -0.00345619 -0.000918306 -0.00194451 1
134 134 H -4.85873 3.47474 31.447 -0.000909172 0.00722611 0.00154494 1
135 135 H -4.47002 3.31378 29.0344 0.0089805 -0.000490327 -0.00909211 1
136 136 H -2.24648 3.10933 28.1637 0.00302675 0.00105062 0.00409627 1
137 137 H 2.02518 -0.998159 32.4613 0.00844544 0.00266389 -0.00164486 1
138 138 H 2.28865 -0.955519 30.0063 0.0022234 0.0086997 -0.0098938 1
139 139 H 1.4377 0.92889 28.7183 0.011547 -0.0138225 0.00312708 1
140 140 H 4.59621 2.33165 24.5884 0.00540435 0.00177253 -0.00050672 1
141 141 H 3.14121 1.96714 26.6263 -0.00819612 0.0145425 0.00998921 1
142 142 H 2.93524 -0.577721 19.7936 0.00484392 -0.00986267 -0.00480009 1
143 143 H 3.22878 -0.670582 17.2988 0.00422103 -0.00396291 0.0116587 1
144 144 H 3.81741 1.34597 21.0646 0.00625236 -0.0229724 0.00050319 1
145 145 H 9.67284 4.16954 20.4622 0.00697601 0.00256596 -0.0060537 1
146 146 H 10.0281 3.87674 18.0018 0.0046078 -0.0121183 0.00366954 1
147 147 H 7.40922 4.08895 21.4094 0.00325999 0.00217301 0.00256896 1
148 148 H 2.745 7.96866 18.9966 -0.00192354 0.00476911 -0.0187145 1
149 149 H 3.18142 7.68976 16.604 -0.00823153 -0.00296525 0.000723088 1
150 150 H 5.63012 3.50232 16.2257 -0.0166755 0.000687428 -0.00443569 1
151 151 H 3.39774 6.20096 20.5794 -0.013081 -0.00129197 -0.00328996 1
152 152 H -0.281759 3.49345 33.4402 0.000823442 0.00181349 -0.00412284 1
153 153 H 9.49461 4.8355 15.2745 -0.0140413 0.00566101 0.0155369 1
154 154 H 10.0954 3.31412 15.9487 0.00295917 0.00313024 -0.00806289 1
155 155 H 8.72474 1.9847 14.3837 -0.000277342 0.000673474 0.00217005 1
156 156 H 10.1107 2.79984 13.761 -0.00428409 0.0138454 -0.0067077 1
157 157 H 8.54992 4.67208 12.8734 -0.00587021 0.00356992 -0.000349496 1
158 158 H 7.15684 3.73674 13.5271 0.00715799 -0.00317347 0.00898608 1
159 159 H 7.75054 1.86225 11.9382 0.0137547 -0.00515835 0.0107805 1
160 160 H 9.176 2.82162 11.3549 -0.00043214 -0.00327625 0.00341568 1
161 161 H 7.67361 4.46109 10.4329 0.0130645 0.000360232 0.0170247 1
162 162 H 6.25976 3.72042 11.197 0.00798448 0.0085036 0.00496849 1
163 163 H 6.0058 2.07602 9.67016 0.000883605 -0.000233923 -0.00864157 1
164 164 H 7.71233 1.72712 9.54955 -0.00785618 -0.00486856 0.00806542 1
165 165 H 8.12683 3.53745 8.01796 0.00682009 -0.00948766 0.0138048 1
166 166 H 6.47863 4.17261 8.17482 0.00391466 0.00513876 -0.00802053 1
167 167 H 5.61629 2.15439 7.07725 -0.00508245 0.00358881 0.0118167 1
168 168 H 7.28009 1.49378 7.03412 -0.00405316 0.0039419 -0.00175364 1
169 169 H 8.02988 3.45251 5.61859 -0.00116026 -0.0018592 -0.00858696 1
170 170 H 6.36283 3.983 5.60451 0.00526788 7.94193e-07 -0.0137452 1
171 171 H 5.72391 1.85826 4.4551 -0.00600763 0.0114537 -0.0124894 1
172 172 H 7.40241 1.26657 4.46289 -0.00126304 0.00164482 -0.00888456 1
173 173 H 8.02307 3.34387 3.05341 0.00153866 -0.00197361 -0.0145925 1
174 174 H 6.31901 3.87497 3.14239 0.00463642 -0.000616133 0.00263903 1
175 175 H 5.61911 1.91595 1.81047 -0.00502369 -0.0035663 -0.00376583 1
176 176 H 7.29914 1.38739 1.68994 0.0124771 0.00971568 -0.0108378 1
177 177 H 6.88441 2.97018 1.01038 -0.0118097 0.0196096 0.019684 1
178 178 H 4.81696 1.76302 13.9887 -0.008526 -0.00553247 0.00538198 1
179 179 H 6.04593 1.79692 15.1867 0.00910768 -0.00224528 -0.0180608 1
180 180 H 6.1386 -0.698408 15.2154 0.00181131 -0.0133637 -0.00986067 1
181 181 H 4.59219 -0.869899 14.33 -0.00406887 0.00569153 -0.0069585 1
182 182 H 5.82953 0.462667 12.369 -0.00890645 -0.00753132 0.00435637 1
183 183 H 7.21361 0.376189 13.3468 0.00849893 -0.0161943 -0.014379 1
184 184 H 7.68949 -1.59081 12.2864 0.00638019 -0.0122981 0.0218995 1
185 185 H 6.38972 -2.32409 13.2739 0.0191105 -0.00627922 -0.00226125 1
186 186 H 5.90833 -2.96573 11.0429 0.0196804 0.00282088 0.00570786 1
187 187 H 4.91172 -1.49679 11.3043 -0.00621829 -0.00471987 -0.00367862 1
188 188 H 6.28464 -0.157381 9.91354 -0.00484134 0.00293187 0.00797647 1
189 189 H 7.69005 -1.18913 10.1212 0.00205639 0.0040763 -0.0239958 1
190 190 H 6.93533 -2.99022 8.90037 0.0149116 0.00904939 0.00639373 1
191 191 H 5.2917 -2.42697 8.75132 0.000286944 -0.0031896 -0.0175502 1
192 192 H 5.89877 -0.596752 7.24891 0.00207356 0.00585622 0.00190392 1
193 193 H 7.62803 -1.02614 7.44672 0.00743439 -0.0119263 -0.00622569 1
194 194 H 7.08961 -3.35836 6.62758 0.000722837 0.00517997 0.0116042 1
195 195 H 5.50742 -2.85988 6.13727 -0.000814655 -0.00323469 -0.016774 1
196 196 H 7.94534 -1.32384 5.08387 -0.011249 0.0144218 -0.00128889 1
197 197 H 7.65057 -2.96317 4.49852 -0.00143834 0.00154433 -0.00157245 1
198 198 H 5.21128 -2.10169 4.04181 -0.00155803 0.000585639 -0.00302983 1
199 199 H 5.88755 -0.517792 4.45234 0.000103904 -0.0021138 0.00768245 1
200 200 H 5.85035 -0.870722 1.96279 0.0135646 0.0157237 -0.00639641 1
201 201 H 7.55242 -0.684302 2.63761 -0.00170961 0.0105564 0.00614001 1
202 202 H 6.93964 -2.26468 2.10428 -0.00246409 0.000582056 0.00919506 1
203 203 H 2.47736 6.27606 15.0241 0.00268434 0.014702 -0.00200893 1
204 204 H 3.67328 6.75382 13.8249 0.00635518 -0.00770777 -0.00328284 1
205 205 H 3.3133 3.83043 14.3387 0.0187928 -0.000907452 -0.00921173 1
206 206 H 1.91298 4.56013 13.5903 0.000535453 -0.00358177 0.0025761 1
207 207 H 4.79554 4.86702 12.5252 0.00441526 -0.00437566 0.00462 1
208 208 H 3.93479 3.37419 12.2549 -0.00162685 0.00457361 -0.00381203 1
209 209 H 2.09651 4.84231 11.0795 -0.00303501 0.00823969 0.0179545 1
210 210 H 3.13153 6.21269 11.3472 0.000374733 -0.00424099 0.0174439 1
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1422 214 H 17.344 5.50635 7.64901 -0.000624478 0.00487576 0.00100303 5
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1442 234 H 9.07613 2.20535 37.3983 -0.000893454 -0.00155929 0.00264719 5
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1467 259 H 18.4718 9.86267 37.5324 -0.0187408 0.00950391 0.000535896 5
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1512 2 C 21.6796 13.3159 30.1647 0.00154587 -0.000477372 -0.00419529 6
1513 3 C 21.1332 12.2603 29.442 -0.00304632 -0.000875278 0.00116332 6
1514 4 C 20.464 11.2369 30.1459 0.00173118 -0.000619273 1.01562e-05 6
1515 5 C 20.2867 11.3017 31.5582 0.00190788 0.000150608 -0.00126442 6
1516 6 C 20.7794 12.4096 32.2725 -0.00131892 5.32063e-05 0.00271289 6
1517 7 C 15.7572 10.1785 30.7399 0.000518313 0.00385927 -0.00255246 6
1518 8 C 16.0005 10.0106 29.3952 -0.000348687 0.00178781 -0.00043724 6
1519 9 C 17.3171 9.96368 28.9442 0.00148203 0.00203187 -0.00274855 6
1520 10 C 18.3581 10.0399 29.8573 0.000828546 0.000599409 -0.00118445 6
1521 11 C 18.1485 10.1647 31.2563 -0.00289456 -0.000331051 0.000293688 6
1522 12 C 16.8335 10.224 31.7098 0.000243714 0.00154609 0.00300174 6
1523 13 C 21.1868 6.66334 31.7845 -0.0075078 0.000367797 -0.000444824 6
1524 14 C 21.324 6.59473 30.4106 -0.00402717 -0.00279919 -0.000980866 6
1525 15 C 20.8888 7.68076 29.6377 -0.00110661 -0.000591227 -0.00130129 6
1526 16 C 20.3434 8.82513 30.2256 0.00290574 -0.00223214 -0.00124925 6
1527 17 C 19.8007 10.0355 29.4623 0.0027124 0.00213998 0.00175131 6
1528 18 O 20.5825 7.79271 33.8063 0.00138743 0.000928231 -0.00131749 6
1529 19 O 16.5556 10.2767 33.0346 -0.00195006 -0.000662223 0.000583995 6
1530 20 O 20.4984 12.5802 33.5998 -7.58081e-05 -0.00124256 0.00459126 6
1531 21 C 20.6355 7.78208 32.4257 0.000949766 -0.00697121 0.00149914 6
1532 22 C 20.1604 9.96131 28.0438 -0.0017539 0.00210042 -0.000163521 6
1533 23 C 20.6736 9.9401 26.9533 0.000150924 0.00120405 0.00265973 6
1534 24 C 21.5472 9.99056 25.8585 0.000686809 -0.00387028 0.00116605 6
1535 25 C 21.9444 11.2379 25.4029 -0.0033735 0.00298889 -0.0014866 6
1536 26 C 22.9157 11.2951 24.3853 -0.000483581 0.00356067 0.000552814 6
1537 27 C 23.4695 10.1166 23.8566 0.00191268 0.000837705 -0.00313036 6
1538 28 C 23.075 8.89013 24.3389 -0.000557921 8.98064e-05 -0.000345406 6
1539 29 C 22.0522 8.79981 25.3306 -0.00410545 0.00248305 -0.000374111 6
1540 30 C 24.277 10.1842 22.7108 -0.00188298 -0.0020204 0.00237319 6
1541 31 C 24.738 10.2823 21.5775 0.000533156 0.000128917 0.000829852 6
1542 32 C 22.7377 7.28016 19.2984 -0.00206373 -0.00265141 0.00476464 6
1543 33 C 22.8033 7.30581 17.9137 -0.00314749 0.00286581 -0.0033154 6
1544 34 C 23.4781 8.33943 17.2495 0.000661786 0.0036704 -0.00086179 6
1545 35 C 24.0832 9.35151 18.0137 -0.00028288 -0.00529813 -0.00111487 6
1546 36 C 24.0405 9.2939 19.4033 -0.000195811 0.00224553 -0.00104751 6
1547 37 C 23.297 8.32579 20.0414 0.00421154 0.00302956 -0.000812102 6
1548 38 C 24.8632 10.4168 20.1319 0.00259751 -0.00281655 0.00162585 6
1549 39 C 28.687 9.95883 19.4903 0.000808906 0.00132741 -0.00499746 6
1550 40 C 28.679 10.0069 18.0772 -0.000805398 0.00135519 -0.00285219 6
1551 41 C 27.4772 10.2043 17.4106 -0.00164519 0.0018597 -0.00219966 6
1552 42 C 26.3009 10.3756 18.1405 0.000422288 -0.00321557 -0.00729499 6
1553 43 C 26.2648 10.2781 19.5494 0.00130136 -0.00274989 -0.000187982 6
1554 44 C 27.4747 10.0944 20.2293 -0.00171726 0.00543757 -0.00112465 6
1555 45 C 23.0724 13.8143 19.6047 0.00121416 -0.00887381 0.0051764 6
1556 46 C 23.1783 13.8482 18.1905 0.00375474 -0.00101971 -0.00283266 6
1557 47 C 23.8312 12.8405 17.5004 0.00076549 -0.000446395 0.00304781 6
1558 48 C 24.3392 11.7323 18.1653 -0.00446995 -0.00111502 -0.000957736 6
1559 49 C 24.9407 10.4942 17.512 0.000751061 -0.00512236 0.000397183 6
1560 50 C 24.2693 11.7081 19.5739 0.00201441 0.00376546 -0.00048307 6
1561 51 C 23.6062 12.7199 20.2837 -0.00120022 -0.00239264 -0.007004 6
1562 52 O 27.475 10.458 16.0713 -0.00330858 0.000154403 -0.00109632 6
1563 53 O 23.5214 8.37807 15.8857 -0.00037912 0.00489462 -6.20928e-05 6
1564 54 O 24.0032 13.0335 16.1523 0.0015726 0.00409743 0.000669022 6
1565 55 C 19.441 10.146 32.1167 -0.000887087 0.00304977 -0.00258108 6
1566 56 C 20.1694 8.85645 31.6435 0.000403688 -0.00383311 0.000671718 6
1567 57 C 27.8991 9.49735 15.0853 0.00208075 0.00501868 -1.2313e-05 6
1568 58 C 26.6572 9.03698 14.3504 -0.00322878 -0.00279316 -0.00339223 6
1569 59 C 26.2643 9.9577 13.1924 -0.000122879 -0.00204556 0.000546106 6
1570 60 C 26.9658 9.59336 11.8686 -0.000708057 0.0051987 -0.00361434 6
1571 61 C 26.4741 10.4097 10.6814 0.00259633 -0.00123783 -0.00323475 6
1572 62 C 26.7773 9.71449 9.35989 3.82766e-05 -0.00101279 0.000952656 6
1573 63 C 26.5125 10.6923 8.19012 0.0020049 0.00230865 0.000719221 6
1574 64 C 26.6347 10.0057 6.84772 -0.00117891 0.000368871 -3.9016e-05 6
1575 65 C 26.1046 10.8691 5.6684 0.000630477 0.00195942 0.00188604 6
1576 66 C 26.4051 10.3438 4.24271 -0.0004158 -0.00215418 0.00106096 6
1577 67 C 25.7221 11.1985 3.18825 -0.000422485 -0.00404223 -0.00168657 6
1578 68 C 26.3736 11.0529 1.78329 -0.0044839 0.00123105 -0.00389913 6
1579 69 F 23.323 12.4786 23.8739 -0.00260099 -0.00262312 -0.0017567 6
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1805 295 H 21.757 6.55709 43.4306 -0.00847053 0.00489212 -0.00813035 6
1806 296 H 23.446 5.02203 44.4428 0.00102864 0.00655036 -0.00217228 6
1807 297 H 22.2605 3.75029 44.6057 0.0195811 -0.000538563 0.00778644 6
1808 298 H 20.8973 5.14446 46.1501 0.00381498 -0.0136451 0.00323808 6
1809 299 H 22.0793 6.49012 45.8855 0.00318959 0.00358758 0.000766163 6
1810 300 H 22.6992 3.90415 47.3711 0.00714808 0.00222646 0.00360338 6
1811 301 H 22.5434 5.55353 47.9791 0.0032429 -0.00165261 0.00433415 6
1812 302 H 23.9118 5.08826 46.9127 0.0022018 -0.0101272 0.00506315 6
1813 1 C 25.2201 6.69843 30.8726 0.00572745 -0.00100542 -0.000907614 7
1814 2 C 25.3492 6.64904 29.4913 -0.00831338 4.26565e-05 0.00457493 7
1815 3 C 24.8194 5.5801 28.7729 -0.000611264 0.000776985 -0.00414167 7
1816 4 C 24.1563 4.56653 29.4527 0.000493908 -0.00216158 0.00171571 7
1817 5 C 23.9868 4.57131 30.8885 -0.00133022 0.000257058 -0.0016983 7
1818 6 C 24.5185 5.69639 31.6216 -0.00232896 -0.000575739 0.0016838 7
1819 7 C 19.626 3.30668 30.4666 -0.00468092 0.00196973 -0.00318934 7
1820 8 C 19.7274 3.25712 29.073 0.00271453 0.00569303 4.86662e-05 7
1821 9 C 20.9623 3.27422 28.4218 0.00261291 0.000159379 0.000713508 7
1822 10 C 22.1036 3.33715 29.2568 -0.00432147 -0.000695756 0.00284817 7
1823 11 C 22.0296 3.26186 30.696 0.00358744 0.00118112 -0.000323794 7
1824 12 C 20.7471 3.2809 31.2896 -0.00213179 0.00290306 -0.0028316 7
1825 13 C 25.2485 -0.0309718 30.706 0.00198809 0.00070405 0.000862431 7
1826 14 C 25.3331 0.0318006 29.3211 -0.0022244 0.000306081 -0.00124394 7
1827 15 C 24.8414 1.13048 28.6348 0.000480895 0.00343262 -0.00127083 7
1828 16 C 24.1843 2.12343 29.3941 0.00417054 0.00231539 0.00613157 7
1829 17 C 23.5085 3.36435 28.7753 -0.00262588 0.000263082 0.000805239 7
1830 18 O 24.5581 0.831144 32.8491 0.00212628 0.000767808 0.000404443 7
1831 19 O 20.6076 3.33957 32.669 0.00293638 -0.00444072 0.00155781 7
1832 20 O 24.5198 5.78074 33.0358 8.98061e-05 -0.000831878 -0.00552582 7
1833 21 C 24.6868 0.985258 31.4936 -0.00134538 -0.000765999 0.00373594 7
1834 22 C 23.7124 3.4258 27.2968 -0.000755508 -0.00336273 -0.00391868 7
1835 23 C 24.1911 3.4754 26.1814 0.00216512 0.00217592 -5.61412e-05 7
1836 24 C 25.0007 3.49844 25.021 0.00151719 0.00106156 -0.00259933 7
1837 25 C 25.5436 2.30483 24.5015 0.00344108 0.00114266 -0.00296786 7
1838 26 C 26.6124 2.36925 23.5257 -0.000805635 0.00449973 0.00161271 7
1839 27 C 27.0071 3.60894 23.0059 -0.00139359 -5.82926e-06 0.00490195 7
1840 28 C 26.3875 4.7957 23.5196 -0.0028723 -0.000638632 -0.000575914 7
1841 29 C 25.4226 4.74382 24.5447 0.000357052 -0.000761045 0.00219561 7
1842 30 C 27.9083 3.6541 21.8748 -0.00275642 0.00199065 -0.00135543 7
1843 31 C 28.5067 3.69256 20.8161 0.00421125 0.00178719 -0.000441798 7
1844 32 C 27.0074 0.340256 18.5686 -0.000657982 0.00213086 0.00131694 7
1845 33 C 27.1891 0.344229 17.1748 0.00127867 0.00101672 0.00491977 7
1846 34 C 27.8363 1.37652 16.5136 -0.000138713 0.00169571 -0.00193094 7
1847 35 C 28.2932 2.47992 17.2815 0.00220477 0.0013648 0.00138615 7
1848 36 C 28.1232 2.48427 18.6826 0.00518866 -0.00050391 -0.000673184 7
1849 37 C 27.5123 1.39628 19.3312 0.00475237 0.00371607 0.00228787 7
1850 38 C 28.7619 3.69761 19.3846 0.000339352 -0.000156337 0.00216789 7
1851 39 C 32.6128 3.55982 19.1098 -0.00239103 -0.00165664 0.0029762 7
1852 40 C 32.747 3.71547 17.7292 0.000616188 -0.00130337 0.00256989 7
1853 41 C 31.6147 3.88833 16.9329 -0.000153064 -0.00116386 -0.000138234 7
1854 42 C 30.3411 3.81889 17.5035 0.00266332 -0.00149589 -0.00141629 7
1855 43 C 30.2132 3.73582 18.9149 -0.000422377 0.00146831 0.00499065 7
1856 44 C 31.3439 3.56839 19.7446 -0.000247155 -0.00350869 0.00144987 7
1857 45 C 26.5455 6.77954 18.6468 0.000242809 -0.00353422 -0.000416353 7
1858 46 C 26.7006 6.84193 17.2384 0.00391134 0.00501851 -0.00129908 7
1859 47 C 27.4613 5.87955 16.566 0.000428461 -0.00367671 -0.000995898 7
1860 48 C 28.1559 4.90181 17.3068 -0.0037092 -0.0018134 -0.00118431 7
1861 49 C 29.0049 3.75452 16.7706 0.00146616 0.00228977 0.00207242 7
1862 50 C 28.0548 4.86953 18.7071 -0.00298752 0.00129348 0.00159068 7
1863 51 C 27.2724 5.85731 19.3904 0.000522233 -0.000156866 -0.00514664 7
1864 52 O 31.7277 4.15747 15.6087 0.00312315 -0.000451303 0.00182244 7
1865 53 O 28.1184 1.3497 15.1605 0.0024713 -0.000206497 -0.0064283 7
1866 54 O 27.6473 6.01312 15.2286 0.00224045 0.00237159 0.00270288 7
1867 55 C 23.3593 3.2829 31.4508 -0.00375679 0.00163147 -0.000317016 7
1868 56 C 24.1197 2.06484 30.8217 0.00245836 -0.00740264 -0.00271978 7
1869 57 C 31.8103 3.05387 14.6673 -0.00168395 0.00056331 0.000487239 7
1870 58 C 31.9053 3.65216 13.2435 -0.00263197 -0.000355764 0.000282294 7
1871 59 C 30.5674 3.75807 12.4328 0.000285807 0.00179697 0.00118372 7
1872 60 C 30.4106 2.86263 11.1823 -0.00206626 -0.00259636 0.00209487 7
1873 61 C 30.7123 3.54778 9.83069 0.000881474 0.000690496 0.00330764 7
1874 62 C 30.2475 2.71896 8.59662 -0.00198783 -0.00388716 0.00450295 7
1875 63 C 30.4155 3.58854 7.35818 4.88118e-05 0.00643523 -0.00558125 7
1876 64 C 30.2968 2.70961 6.11927 -0.00401276 0.00233561 0.00138738 7
1877 65 C 30.2815 3.50357 4.82436 -0.000220901 0.000729372 -0.00165703 7
1878 66 C 30.2411 2.59982 3.55614 0.00193689 0.00259114 0.00194895 7
1879 67 C 30.2034 3.4462 2.2766 -0.000765291 -0.000503873 -0.0010959 7
1880 68 C 30.4018 2.59738 0.999129 0.00326007 -0.00299379 -0.00292201 7
1881 69 F 27.2163 1.1978 23.1895 -0.00285534 -0.000378665 0.00107742 7
1882 70 C 28.5029 0.12762 14.5392 0.00564068 0.00591648 -0.000499169 7
1883 71 C 29.156 0.450142 13.2032 0.00100076 0.00241772 0.000439732 7
1884 72 C 29.4892 -0.891601 12.5465 -0.00511207 0.000523038 -0.00254323 7
1885 73 C 29.7896 -0.779615 11.053 0.00332821 0.00143318 0.000803674 7
1886 74 C 30.4714 -2.00848 10.427 -0.00118056 -0.00216771 -0.0016052 7
1887 75 C 31.1468 -1.72187 9.08363 -0.00353226 0.00291093 -0.00324805 7
1888 76 C 30.158 -1.43904 7.92108 -0.00270203 -0.00131764 0.00436177 7
1889 77 C 30.9614 -0.961391 6.70156 -0.00220925 1.64496e-05 0.000385411 7
1890 78 C 30.1085 -0.779666 5.41039 0.000770313 0.00365263 0.00526002 7
1891 79 C 29.7166 -2.0936 4.74287 0.000129729 0.00325035 0.00298497 7
1892 80 C 29.0073 -1.94166 3.39484 0.00023889 0.00430621 -0.00139287 7
1893 81 C 29.7612 -1.31131 2.22253 -0.00134446 0.00285609 -0.000112604 7
1894 82 C 26.9692 5.09654 14.3773 -0.00537642 0.00351813 -0.00165435 7
1895 83 C 27.3721 5.31257 12.8993 -0.000967231 0.00185389 0.00046953 7
1896 84 C 26.9644 4.15957 11.965 0.00114307 0.00278106 0.00405235 7
1897 85 C 27.4184 4.42575 10.5149 0.00119535 -0.00253512 0.00125529 7
1898 86 C 26.4707 5.37654 9.75702 0.00226157 -0.00485399 0.00612025 7
1899 87 C 26.7929 5.45756 8.2647 -0.00205202 0.000444482 -0.00311175 7
1900 88 C 25.6532 6.09875 7.45249 -0.000778495 -0.000469177 -0.00343705 7
1901 89 C 26.1321 6.37 6.01073 -0.00373116 0.000244078 0.00103355 7
1902 90 C 26.5483 5.11237 5.2142 0.00176515 -0.00282798 0.00252787 7
1903 91 C 27.0347 5.38883 3.78534 0.00135312 0.000541602 0.00736118 7
1904 92 C 25.9884 6.0737 2.89246 -0.00120006 -0.00102468 -0.0058523 7
1905 93 C 26.2756 5.77728 1.44467 -0.001476 0.00467456 0.00235343 7
1906 94 C 19.3102 3.33532 33.3107 -0.000644132 -9.08928e-05 0.00274525 7
1907 95 C 19.4647 3.23888 34.8449 0.00169749 0.00340963 -0.000878922 7
1908 96 C 18.1835 3.62427 35.6424 -0.00025185 0.00281512 0.00292532 7
1909 97 C 18.4111 3.44189 37.1438 0.00100788 0.000404929 0.00447428 7
1910 98 C 17.2372 3.87171 37.9876 0.00161498 -0.00102404 0.00237289 7
1911 99 C 17.5362 3.95929 39.5539 0.00288968 0.00039708 0.0021435 7
1912 100 C 17.7915 2.54995 40.1684 -0.000639632 -0.0033235 -0.00195323 7
1913 101 C 18.6137 2.59556 41.4768 -0.00139462 -0.00176826 0.00444565 7
1914 102 C 17.8279 3.13083 42.6873 -0.00231757 -0.000135815 -0.00271577 7
1915 103 C 18.5269 2.78651 44.042 -0.00165663 -0.00335919 0.00216728 7
1916 104 C 17.6273 3.0198 45.2478 -0.00198784 0.000968494 0.00583173 7
1917 105 C 18.3675 2.82819 46.5783 -0.00163827 0.00480068 0.00380495 7
1918 106 C 25.324 6.87414 33.6316 0.00539897 -0.00282598 0.000779869 7
1919 107 C 25.4482 6.90931 35.1848 -0.0030041 -0.000702999 0.00163958 7
1920 108 C 26.2706 8.17129 35.5693 0.00114336 -0.00252245 -0.00195977 7
1921 109 C 25.9706 8.80693 36.9254 -0.00245632 -0.00177745 0.00348703 7
1922 110 C 25.828 7.86243 38.135 -0.0046955 0.00433381 0.000857969 7
1923 111 C 25.7492 8.59757 39.5013 -0.00256938 -0.000708877 0.00389165 7
1924 112 C 25.55 7.64759 40.6871 0.00224041 -0.00550121 0.000114117 7
1925 113 C 25.5535 8.39787 42.0316 -0.00726677 -0.00177441 -0.00212175 7
1926 114 C 25.467 7.52867 43.2978 1.62286e-05 0.000241496 0.00177267 7
1927 115 C 25.3929 8.37004 44.5937 0.00329515 0.00191046 -0.00136477 7
1928 116 C 25.4263 7.42266 45.8326 -0.00234537 -0.000538056 0.00530361 7
1929 117 C 25.3354 8.24562 47.1161 0.00136865 0.00116464 0.00371937 7
1930 118 C 25.3193 -0.262131 33.4862 -0.000975993 -0.0012447 0.0020201 7
1931 119 C 25.1828 -0.400665 34.9873 0.00188016 0.000399635 -0.00200914 7
1932 120 C 26.0116 -1.63637 35.5451 -0.00102165 0.000693887 -0.00178388 7
1933 121 C 25.8916 -1.94074 37.0601 -0.000668328 0.00459407 0.000658885 7
1934 122 C 26.0682 -0.768362 38.0394 -0.00205004 0.00179718 0.00159908 7
1935 123 C 25.8937 -1.22435 39.5083 0.00551681 0.000802281 0.00166722 7
1936 124 C 25.4913 -0.0674076 40.4166 -0.00171716 0.00310536 0.000680993 7
1937 125 C 25.1746 -0.549618 41.8764 0.00132673 -0.00010617 0.00114579 7
1938 126 C 26.3536 -1.11413 42.6524 0.00184054 0.00158731 -0.000602146 7
1939 127 C 25.9217 -1.50637 44.0432 -0.00186649 -0.00306764 0.00230174 7
1940 128 C 25.55 -0.330108 44.9809 0.0013857 0.00398467 -0.00222839 7
1941 129 C 25.2175 -0.916463 46.3953 -0.00264206 0.00397717 -0.000962859 7
1942 130 F 25.2734 1.08095 25.0723 0.000947901 -0.00153018 0.00115507 7
1943 131 H 25.6682 7.55753 31.363 -0.00846042 0.00335121 0.00445383 7
1944 132 H 25.8831 7.44982 28.9882 0.00327666 -0.0121485 -0.00251449 7
1945 133 H 24.9576 5.63113 27.6969 0.00429428 0.00848534 -0.00316735 7
1946 134 H 18.6333 3.33484 30.906 -0.00534079 0.0012766 -0.00463501 7
1947 135 H 18.8334 3.29113 28.4574 0.00713855 0.00122744 -0.00662534 7
1948 136 H 20.9773 3.22923 27.3369 0.0118565 0.012186 0.000367327 7
1949 137 H 25.6029 -0.953568 31.1562 0.0144943 0.000117492 -0.0102296 7
1950 138 H 25.8756 -0.738918 28.7816 -0.00842396 -0.000403076 -0.00644585 7
1951 139 H 24.933 1.21505 27.556 0.000164904 -0.00898522 -0.00225049 7
1952 140 H 26.6719 5.76208 23.1138 -0.00662045 -0.00221891 -0.00697504 7
1953 141 H 25.0663 5.6522 25.0216 -0.00240876 -0.0013224 0.0011927 7
1954 142 H 26.5144 -0.474322 19.0909 -0.00016836 0.000908784 -0.000130997 7
1955 143 H 26.8758 -0.545396 16.6365 0.00277526 0.0011408 0.00384476 7
1956 144 H 27.4753 1.38064 20.4164 -0.00392138 0.000960065 0.00193392 7
1957 145 H 33.4835 3.44949 19.7493 0.00409851 -0.00671151 -0.00676983 7
1958 146 H 33.7156 3.64611 17.2428 0.0023122 0.00859164 0.0045632 7
1959 147 H 31.2301 3.38528 20.809 0.000665683 0.000236127 0.00218751 7
1960 148 H 25.8852 7.47689 19.1539 -0.0140455 -0.00368653 -0.0187748 7
1961 149 H 26.1958 7.61622 16.6683 -0.00839054 0.0117108 0.0187023 7
1962 150 H 29.1538 3.73779 15.6839 -0.00611154 0.00614128 0.000985826 7
1963 151 H 27.1476 5.90579 20.4681 -0.0131929 -0.00539224 -0.00649555 7
1964 152 H 23.3435 3.22714 32.5463 0.00874691 0.00963305 0.000285656 7
1965 153 H 32.7625 2.57637 14.9292 0.011159 0.0140157 -0.0215901 7
1966 154 H 30.9345 2.3978 14.7451 0.00339854 -0.00747368 -0.010152 7
1967 155 H 32.6527 3.04567 12.7172 -0.00112295 -0.00807509 0.0112826 7
1968 156 H 32.2943 4.67293 13.344 -0.0109244 0.000885654 0.0200021 7
1969 157 H 30.3453 4.79822 12.1642 -0.0107081 -0.00151292 -0.0025924 7
1970 158 H 29.7837 3.47711 13.1472 0.00735656 0.000280733 0.00836099 7
1971 159 H 29.4074 2.42047 11.142 -0.00111015 -0.00511346 0.00582118 7
1972 160 H 31.0854 2.00299 11.2775 -0.000218381 -0.00237618 -0.00896421 7
1973 161 H 31.7955 3.69663 9.74174 6.34469e-05 0.00312281 -0.00265699 7
1974 162 H 30.3273 4.57008 9.73008 -0.0170245 -0.00676705 -0.00380006 7
1975 163 H 29.1967 2.42182 8.7012 0.000896874 -0.0133154 0.00669957 7
1976 164 H 30.8335 1.79713 8.49489 -0.00670614 -0.00593987 -0.00412985 7
1977 165 H 31.4467 3.96254 7.35271 0.00176604 0.00178729 -0.00198509 7
1978 166 H 29.6627 4.3865 7.36352 0.012863 0.0184393 0.00358552 7
1979 167 H 29.3664 2.13093 6.17403 0.00268624 -0.00787417 0.00725247 7
1980 168 H 31.1302 1.99639 6.13039 -0.0032494 0.00325481 0.00330496 7
1981 169 H 31.2152 4.07895 4.79939 -0.0109621 0.0185627 0.00791192 7
1982 170 H 29.4698 4.24059 4.86038 -5.53568e-06 0.000204451 0.0143905 7
1983 171 H 29.3416 1.97227 3.57555 -0.00529566 0.0132586 0.0130357 7
1984 172 H 31.1491 1.98422 3.54701 0.000111609 -3.46374e-05 -0.00186799 7
1985 173 H 30.9961 4.20416 2.29943 0.00698864 -0.00838982 -0.00829105 7
1986 174 H 29.264 4.00866 2.20795 0.00458424 0.00961828 0.00861139 7
1987 175 H 29.5621 1.93241 0.762178 -0.00139726 0.00404654 -0.00611663 7
1988 176 H 31.2648 1.92259 1.05596 0.00189242 -0.00430368 0.00220301 7
1989 177 H 30.6072 3.26047 0.149689 -0.0029786 -0.00958429 -0.0095707 7
1990 178 H 29.2462 -0.367496 15.1763 -0.00214641 -0.0154283 -0.00801102 7
1991 179 H 27.6988 -0.601144 14.3792 0.00144832 0.00893383 0.00693202 7
1992 180 H 28.4919 1.08672 12.6056 -0.00511236 0.00524923 0.0102418 7
1993 181 H 30.0467 1.07917 13.3232 0.0112327 -0.0102794 -0.00911491 7
1994 182 H 30.2932 -1.34574 13.1387 0.0149861 0.0139944 -0.0195262 7
1995 183 H 28.5738 -1.4872 12.6508 -0.00385649 -0.000679663 0.00159379 7
1996 184 H 28.8706 -0.566684 10.493 0.000530324 -0.0072207 0.00210619 7
1997 185 H 30.4122 0.118481 10.9572 0.00341709 0.00122264 -0.000560548 7
1998 186 H 31.2561 -2.41335 11.078 0.00626317 -0.00602178 -0.0129501 7
1999 187 H 29.7428 -2.82684 10.3742 0.00101866 -0.00457784 0.00514352 7
2000 188 H 31.8581 -0.895274 9.20262 0.000785098 0.00190768 -0.0219801 7
2001 189 H 31.7766 -2.5605 8.76187 0.000330873 0.00824211 -0.00962387 7
2002 190 H 29.605 -2.35085 7.66382 0.00202246 -0.00105513 -0.00674576 7
2003 191 H 29.4298 -0.665441 8.19428 0.00118176 -6.9483e-07 0.010984 7
2004 192 H 31.4593 -0.00741404 6.91469 -0.0011737 -0.00108198 0.00286465 7
2005 193 H 31.7297 -1.71317 6.48237 -0.0095087 -0.00927782 0.00662533 7
2006 194 H 29.1591 -0.268047 5.61112 -0.0056512 -0.00537623 -0.00194137 7
2007 195 H 30.6791 -0.213094 4.66423 0.0138285 -0.0101524 0.00474722 7
2008 196 H 30.6208 -2.69448 4.58576 -0.00411911 -0.00147187 -0.003412 7
2009 197 H 29.0695 -2.71067 5.37837 0.0104671 -0.0209904 -0.0099525 7
2010 198 H 28.6047 -2.92033 3.10592 -0.00183351 0.00396917 0.0026248 7
2011 199 H 28.0759 -1.37417 3.51233 -0.00668479 -0.00742112 0.000536912 7
2012 200 H 30.6621 -1.88331 1.96851 0.00496539 0.0132568 -0.00123634 7
2013 201 H 29.1351 -1.1461 1.33702 -0.00285779 0.0045731 0.00127659 7
2014 202 H 30.1366 -0.328919 2.5346 -0.00272951 0.00452228 -0.0037073 7
2015 203 H 27.2197 4.06363 14.6489 -0.00577156 0.00163465 -0.00843721 7
2016 204 H 25.8819 5.19312 14.4863 -0.00486699 0.00907899 -0.00156265 7
2017 205 H 26.9604 6.23582 12.4733 -0.000522062 0.00372442 0.00411129 7
2018 206 H 28.4687 5.31185 12.8706 -0.000999559 0.00690114 -0.000305059 7
2019 207 H 27.4385 3.22085 12.2772 -0.0119844 -0.00478486 0.00122442 7
2020 208 H 25.8756 4.02676 11.9749 0.00156777 -0.000200595 0.0104327 7
2021 209 H 28.4122 4.8869 10.4578 -0.00607785 0.013515 0.00440601 7
2022 210 H 27.5005 3.49988 9.93225 0.00868818 -0.00574035 0.00741903 7
2023 211 H 25.4614 4.95571 9.84446 -0.000769524 0.00333214 0.0104417 7
2024 212 H 26.4571 6.36616 10.2302 -0.00615896 -0.005983 0.00825411 7
2025 213 H 27.6713 6.11276 8.21312 -0.00379232 0.00294882 -0.00108769 7
2026 214 H 27.0409 4.47514 7.84423 -0.0134171 -0.00804487 0.0100426 7
2027 215 H 24.82 5.38518 7.44244 -0.00322972 0.00242455 -0.00510959 7
2028 216 H 25.2662 6.99656 7.9501 -0.00199542 -0.000730273 -0.00390996 7
2029 217 H 25.3508 6.90572 5.45754 -0.0084759 -0.0071691 0.000571933 7
2030 218 H 26.9573 7.09046 6.06914 -0.00216936 -0.00257866 0.0138739 7
2031 219 H 27.4363 4.66809 5.6805 0.00525958 0.00645442 0.00473475 7
2032 220 H 25.7517 4.35915 5.25291 0.00128489 -0.00224934 0.00395587 7
2033 221 H 27.9897 5.92724 3.74578 0.00344063 -0.00455948 -0.0120535 7
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2198 84 C 32.8706 13.0368 11.9742 0.0019368 -0.000757365 0.000948938 8
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2202 88 C 33.8668 14.2887 7.64568 0.00229651 0.00297367 -0.0058505 8
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2205 91 C 35.1891 13.6469 4.0715 0.00201626 -0.000450749 -0.00156277 8
2206 92 C 34.7243 14.1262 2.67066 -0.00582931 -0.00248501 0.00377071 8
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2212 98 C 22.2827 9.87555 37.9607 -0.00534247 0.000567473 -0.000888778 8
2213 99 C 21.3913 9.66835 39.2228 0.00185798 0.00168277 -0.00242377 8
2214 100 C 22.2055 9.54225 40.5446 0.00214279 0.00377197 -0.00241433 8
2215 101 C 21.2155 9.55394 41.7316 -0.00131698 2.54553e-05 0.00280117 8
2216 102 C 21.8688 9.5178 43.113 0.0011263 0.00337556 0.00579123 8
2217 103 C 20.7796 9.4398 44.1628 -0.00597149 0.00333591 -0.00434792 8
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2219 105 C 21.8882 10.8723 45.9844 -0.00253494 -0.00331967 8.32816e-05 8
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2223 109 C 29.7956 14.3779 37.5246 0.00412375 -0.000104792 0.000848285 8
2224 110 C 29.2332 15.1013 38.7897 0.0023952 -0.00106212 0.0048429 8
2225 111 C 29.9215 14.6662 40.0801 0.00288804 0.00114329 -0.0013606 8
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2228 114 C 28.9157 14.963 43.862 0.00408103 0.000697172 0.000547574 8
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2230 116 C 28.5234 14.853 46.372 -0.000929234 -0.00159522 -0.00357675 8
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2232 118 C 29.614 7.29204 33.812 -0.00250135 -0.000309696 0.00444322 8
2233 119 C 29.1516 5.92926 34.2781 0.00133196 0.00444349 -0.00271612 8
2234 120 C 29.8215 5.63526 35.6348 0.000839727 -0.00203261 -0.00153844 8
2235 121 C 29.1296 6.32681 36.8686 0.000419106 -0.000764005 0.00383811 8
2236 122 C 29.9143 6.04235 38.1726 0.00145598 -0.000608291 -0.00527655 8
2237 123 C 29.1138 6.31215 39.4717 0.00134754 0.00399458 -0.00324358 8
2238 124 C 29.9488 5.99116 40.7398 -0.000813898 -0.00241712 -0.00163205 8
2239 125 C 29.0547 6.0925 41.9682 -0.00268364 -0.000147677 0.00074237 8
2240 126 C 29.8791 5.93998 43.2814 0.000979436 -0.00165442 -0.000276523 8
2241 127 C 29.0241 5.9615 44.5411 -0.00399352 0.00247632 -0.00363967 8
2242 128 C 29.7715 5.70296 45.8635 -0.00236614 0.00079699 0.000394955 8
2243 129 C 28.8456 5.83111 47.1203 0.00367587 -0.00152598 -0.00194821 8
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2302 188 H 32.2416 7.25709 8.45286 0.00340153 0.0015791 -0.00672474 8
2303 189 H 31.0211 6.10229 8.11989 -0.0127033 0.00121979 -0.0106165 8
2304 190 H 31.3581 8.80802 6.72447 0.00391108 -0.00253513 -0.0154441 8
2305 191 H 31.7867 7.193 6.08639 0.0018049 0.00196968 -9.33909e-05 8
2306 192 H 29.2935 6.52161 6.18371 -0.00350582 -0.00250931 -0.0248148 8
2307 193 H 28.9402 8.04558 6.83329 0.0063258 0.00203846 -0.00808538 8
2308 194 H 28.47 7.99773 4.37318 -0.00515875 -0.00404121 0.0143321 8
2309 195 H 29.6966 9.17691 4.77545 -0.00748569 0.00415045 -0.00391266 8
2310 196 H 31.4185 7.76717 3.87708 -0.00424175 0.00092897 0.0103292 8
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2312 198 H 29.0959 7.21013 2.00403 -0.00272767 -0.00586105 0.0176684 8
2313 199 H 29.9198 8.81783 2.15202 -0.0188546 -0.00364124 0.00533903 8
2314 200 H 31.2853 6.20912 1.43412 -0.00589793 -0.00258831 0.00305036 8
2315 201 H 30.869 7.48229 0.318597 -0.00616045 -0.00330915 0.000513391 8
2316 202 H 32.1133 7.79626 1.54732 -0.00397243 0.00817909 0.0111468 8
2317 203 H 33.6034 14.0486 14.3606 9.12852e-05 -0.000436893 0.00766541 8
2318 204 H 34.0702 12.6093 15.1904 0.00133788 -0.00230064 -0.000272571 8
2319 205 H 34.1444 11.746 13.0788 -0.000680701 0.000749531 0.0035436 8
2320 206 H 32.4472 11.4405 13.4053 0.00368236 0.00313271 0.00391391 8
2321 207 H 32.7465 12.3592 11.1205 -0.00118116 0.0138719 -0.0102412 8
2322 208 H 31.9185 13.5513 12.1541 0.00045186 -0.00479445 0.00466817 8
2323 209 H 33.9498 14.8493 12.3112 0.01033 0.00301657 -0.00107937 8
2324 210 H 34.8847 13.5253 11.4932 0.00203592 -0.0023699 0.00317642 8
2325 211 H 32.6 14.8822 10.0628 0.00508369 0.00705771 0.0114885 8
2326 212 H 34.222 15.5056 10.0326 0.00617058 0.00178777 -0.00258452 8
2327 213 H 34.9905 13.1994 9.14741 -0.00173911 -0.00639664 -0.00281334 8
2328 214 H 33.3054 12.7789 8.98604 -0.00772462 0.00567521 0.0134943 8
2329 215 H 32.8046 14.4278 7.4092 -0.00233291 -0.0125277 0.00586111 8
2330 216 H 34.3176 15.2888 7.64422 -0.00991206 0.00847989 0.0010685 8
2331 217 H 35.6477 13.4887 6.66753 0.000375086 0.0152948 -0.00438378 8
2332 218 H 34.2848 12.4243 6.57127 -0.00936512 0.00210786 0.00463341 8
2333 219 H 33.1971 13.7573 4.86603 -0.00541509 0.010474 0.0017021 8
2334 220 H 34.2572 15.1769 5.17515 0.0163416 -0.00186817 -0.0206107 8
2335 221 H 36.1607 14.0981 4.30779 0.000443312 -0.00110597 0.00617212 8
2336 222 H 35.3316 12.5592 4.08003 -0.015325 -0.00269325 0.00019193 8
2337 223 H 33.6905 13.8509 2.42813 -0.00188905 -0.00995022 -0.0045257 8
2338 224 H 34.7473 15.2225 2.70021 0.0111009 -0.00259687 -0.00581505 8
2339 225 H 36.6805 13.8485 1.89285 -0.00269821 0.0119403 0.00529312 8
2340 226 H 35.559 12.5134 1.5058 0.0084913 0.00254697 0.00261373 8
2341 227 H 35.3847 14.0315 0.618759 -0.000859654 0.00653001 0.000749458 8
2342 228 H 22.7857 10.9842 32.9915 0.00410073 -0.000143874 -0.00950031 8
2343 229 H 22.6905 9.1813 32.7057 0.00831548 -0.0078839 0.00609742 8
2344 230 H 23.2692 8.74945 34.9611 0.0129852 -0.00692773 -0.005508 8
2345 231 H 24.2539 10.2279 35.0196 0.011758 -0.00962851 -0.0122756 8
2346 232 H 22.3899 11.5558 35.6987 -0.00576817 0.00259521 0.00663314 8
2347 233 H 21.3255 10.5535 34.6814 0.0137355 -0.00718916 -0.0101776 8
2348 234 H 20.4772 10.2753 36.8623 -0.00718895 -0.0141774 0.00218195 8
2349 235 H 21.1827 8.80425 36.4207 0.00167697 -0.00107442 0.00635689 8
2350 236 H 23.1165 9.16325 37.931 -0.0039476 0.00230556 -0.00353468 8
2351 237 H 22.8146 10.8335 38.0128 -0.0126448 0.00464996 -0.00162512 8
2352 238 H 20.7397 10.5412 39.3526 -0.00370283 -0.00271072 -0.000832774 8
2353 239 H 20.7663 8.77416 39.1077 0.00634391 -0.00199219 0.00172445 8
2354 240 H 22.8702 8.67137 40.6008 0.00225267 0.00318905 -0.012954 8
2355 241 H 22.8179 10.449 40.6229 0.0179561 -0.00731668 0.001848 8
2356 242 H 20.615 10.4697 41.6667 -0.00409974 -0.00311972 -0.0159277 8
2357 243 H 20.5142 8.7249 41.5759 0.00225089 -0.00467631 0.0118842 8
2358 244 H 22.5637 8.67045 43.1636 0.0149877 0.015058 0.0115299 8
2359 245 H 22.5179 10.3967 43.2112 -0.00589458 0.00826749 0.0082435 8
2360 246 H 20.0417 10.23 43.9772 -0.0137719 -0.0031851 -0.00111935 8
2361 247 H 20.2353 8.5027 43.9925 0.0104186 -0.0100541 0.0171603 8
2362 248 H 20.3998 9.30032 46.2681 0.000611561 0.00617984 -0.00136838 8
2363 249 H 22.0535 8.77295 45.7549 0.00786711 0.00772087 0.00421801 8
2364 250 H 21.1283 11.6634 45.9766 -0.00683983 -0.00743908 0.00129167 8
2365 251 H 22.2658 10.8722 47.0144 -0.0043172 -0.0024852 0.000741217 8
2366 252 H 22.6538 11.1113 45.236 -0.00733431 0.0154237 0.00118402 8
2367 253 H 29.3852 14.4583 33.5012 -0.00494364 0.013269 0.000279144 8
2368 254 H 27.6247 14.4077 33.7334 0.00284698 0.00367617 -0.00813219 8
2369 255 H 28.0242 12.8829 35.645 -0.00100783 -0.00760593 -0.00732729 8
2370 256 H 29.7359 12.9527 35.3065 -0.000436463 -0.00150265 0.00695641 8
2371 257 H 29.5376 15.535 35.7098 -0.00395686 0.00690749 0.00669985 8
2372 258 H 28.0166 15.0398 36.526 0.0104132 0.0128877 0.00692383 8
2373 259 H 29.6971 13.3 37.7032 0.00768289 -0.00260729 -0.0123146 8
2374 260 H 30.8663 14.5855 37.4063 0.00696662 -0.0190339 -0.00679669 8
2375 261 H 29.353 16.1888 38.711 -0.00645396 0.000100364 0.00751516 8
2376 262 H 28.1684 14.8516 38.8748 -0.000500213 0.0020868 -0.0221306 8
2377 263 H 30.0443 13.578 40.1438 -0.00740922 -0.000144634 -0.00391316 8
2378 264 H 30.9598 15.0171 40.1285 0.00424507 -0.00350344 0.00356599 8
2379 265 H 28.9335 16.1694 41.261 -0.00418334 0.000784751 -0.00661414 8
2380 266 H 28.2251 14.547 41.3179 -0.00529005 0.0117118 -0.00337414 8
2381 267 H 30.1304 13.6557 42.6007 -0.00602621 -0.00618891 -0.0112111 8
2382 268 H 30.7723 15.269 42.8377 -0.00310184 -0.000158192 0.00828942 8
2383 269 H 28.6458 16.0255 43.8203 -0.00464898 -0.00148721 0.00146037 8
2384 270 H 27.9849 14.4079 43.6927 0.000743333 0.00388608 0.00848202 8
2385 271 H 29.7381 13.5344 45.2648 -0.024133 -0.00490237 0.00325749 8
2386 272 H 30.4301 15.161 45.3786 0.00105648 -0.00437568 0.000408597 8
2387 273 H 28.2628 15.9156 46.4512 0.00907601 0.00142117 -0.0114297 8
2388 274 H 27.5488 14.393 46.1671 -0.00332395 -0.00250058 0.00978772 8
2389 275 H 29.1042 13.2147 47.552 0.0139466 -0.000836285 0.00760331 8
2390 276 H 30.0568 14.6797 47.9513 -0.00578258 0.0111531 0.00246311 8
2391 277 H 28.3305 14.45 48.5107 -0.0103783 0.00811409 -0.00756011 8
2392 278 H 30.5119 7.26035 33.1826 -0.00787129 -0.00366594 -0.0030722 8
2393 279 H 29.7912 7.92174 34.6926 0.00996578 -0.00111909 0.00249034 8
2394 280 H 29.5428 5.15904 33.602 0.00089271 0.00884552 -0.0079681 8
2395 281 H 28.0567 5.90705 34.3426 0.000543619 0.000963545 -0.0173744 8
2396 282 H 30.8542 5.9969 35.5552 -0.00139275 0.00585866 0.00520318 8
2397 283 H 29.8886 4.5538 35.8061 0.00260189 -0.00126721 0.00260585 8
2398 284 H 28.1181 5.90644 36.9282 -0.00301821 0.00771743 0.00518475 8
2399 285 H 29.0372 7.41647 36.7819 0.00158809 -0.000359097 0.00763172 8
2400 286 H 30.8111 6.67346 38.2021 0.00591334 -0.00690173 -0.0063382 8
2401 287 H 30.2475 4.99789 38.2112 -0.0116702 -0.00467702 -0.00187181 8
2402 288 H 28.2357 5.65462 39.4764 0.00622659 -0.00245669 0.007052 8
2403 289 H 28.6942 7.32553 39.4922 0.00489162 0.00547155 -0.00393135 8
2404 290 H 30.7453 6.74408 40.7862 -0.00501876 0.00269808 -0.0118324 8
2405 291 H 30.3514 4.97372 40.6616 -0.000553355 -0.00203933 -0.00522275 8
2406 292 H 28.2769 5.32139 41.9059 -0.00439272 0.00216147 -0.00647512 8
2407 293 H 28.5587 7.07051 41.9381 0.00147359 0.00165773 -0.00961291 8
2408 294 H 30.6246 6.74235 43.3433 -0.00844326 0.00717316 -0.0012007 8
2409 295 H 30.4152 4.9834 43.2498 -0.0118494 -0.00872717 -0.00395553 8
2410 296 H 28.2041 5.23381 44.5026 -0.00721996 0.00574691 0.0028968 8
2411 297 H 28.5948 6.97032 44.5787 -0.0113561 -0.000688094 -0.00311062 8
2412 298 H 30.6352 6.37502 45.9398 -0.00651837 0.0068532 -0.00595932 8
2413 299 H 30.1862 4.68754 45.8437 -0.00515299 -0.000370291 0.00188955 8
2414 300 H 29.4389 5.69564 48.033 -0.00173148 0.00527558 0.00258058 8
2415 301 H 27.9995 5.1329 47.1207 0.00115363 0.00153484 0.0074209 8
2416 302 H 28.4821 6.86536 47.1604 -0.000444378 -0.00356204 0.0129577 8
2417 1 C 33.1386 6.71652 30.9356 -0.00165193 0.0012545 0.00238504 9
2418 2 C 33.2924 6.64343 29.5359 -0.000836848 0.00577591 -0.00075761 9
2419 3 C 32.8117 5.54799 28.8479 -0.00109803 -0.000475006 0.00370892 9
2420 4 C 32.1551 4.53878 29.5894 -9.51394e-05 -0.00092961 0.00149079 9
2421 5 C 31.9391 4.61489 31.0095 0.00221046 0.0033797 0.00159822 9
2422 6 C 32.464 5.75105 31.7119 -0.000579295 -0.00483195 -0.00101284 9
2423 7 C 27.4824 3.38373 30.2051 -0.00478425 0.00600634 0.000454057 9
2424 8 C 27.7252 3.40147 28.8502 0.0014548 -0.000503912 0.00345994 9
2425 9 C 29.0277 3.32751 28.4281 0.00216788 0.0032825 -0.0024644 9
2426 10 C 30.0637 3.3312 29.3539 -0.00475251 0.00198653 0.00117593 9
2427 11 C 29.8545 3.37864 30.7568 0.00289201 -0.00203383 0.00330121 9
2428 12 C 28.4913 3.39531 31.2099 -0.00245854 -0.00361086 -7.49456e-05 9
2429 13 C 33.1603 0.0531128 31.3197 -0.00251901 0.00524164 0.000740366 9
2430 14 C 33.3599 0.0504524 29.9416 0.000614396 0.00162049 0.000168609 9
2431 15 C 32.8653 1.09484 29.1609 -9.00649e-05 -0.00397126 -0.00100112 9
2432 16 C 32.1546 2.15888 29.763 0.000785105 0.00846528 -0.000457875 9
2433 17 C 31.5471 3.31981 28.9457 -0.00010859 -0.0025024 0.00102567 9
2434 18 O 32.3289 1.05625 33.3345 -0.000392348 -0.00241978 -0.000530658 9
2435 19 O 28.1678 3.36624 32.5382 -0.00148012 -0.00220295 -0.000141836 9
2436 20 O 32.4824 5.97875 33.1166 -0.00077299 0.000355741 -0.000535731 9
2437 21 C 32.4398 1.08557 31.9428 0.00377965 -0.000275723 0.00305306 9
2438 22 C 31.9034 3.21645 27.5068 -0.00191309 0.00155744 -0.00035936 9
2439 23 C 32.4253 3.1689 26.4084 0.00183074 0.00332559 0.00287121 9
2440 24 C 33.1875 3.23756 25.195 0.00200912 -0.00266006 0.00240198 9
2441 25 C 33.7641 2.05922 24.6656 -0.00257205 -0.00370186 6.8715e-05 9
2442 26 C 34.629 2.14808 23.5643 -0.00167514 0.00209798 0.00117185 9
2443 27 C 34.9816 3.41875 23.032 0.00351297 6.50182e-05 -0.00164673 9
2444 28 C 34.4415 4.59766 23.6191 -0.00203599 0.00296564 0.00439685 9
2445 29 C 33.5496 4.50012 24.7171 6.8078e-05 0.00159845 -0.000505603 9
2446 30 C 35.7492 3.49263 21.8028 -0.00127129 0.000908582 -0.00208348 9
2447 31 C 36.2769 3.4864 20.699 0.000778677 0.004056 0.00336069 9
2448 32 C 34.9202 -0.0111155 18.4466 -0.000453058 -0.00505785 0.00186466 9
2449 33 C 35.1462 -0.0168292 17.0812 -0.000694983 -0.00310476 -0.0024576 9
2450 34 C 35.8831 0.961195 16.4418 0.00389515 -0.000968387 -0.00065515 9
2451 35 C 36.319 2.07783 17.1884 -0.00168898 0.00196307 0.000356707 9
2452 36 C 36.0912 2.14145 18.5815 -0.00789987 0.000366694 0.000863326 9
2453 37 C 35.4496 1.04607 19.2021 0.00193812 -0.00270175 0.00172277 9
2454 38 C 36.578 3.41624 19.248 -0.000843625 -0.00133114 -0.000936781 9
2455 39 C 40.4135 3.87477 19.1273 -0.00315975 0.00321005 0.00177582 9
2456 40 C 40.5759 4.03392 17.7307 -0.000835066 0.000730694 -0.000527727 9
2457 41 C 39.4774 3.90942 16.8802 0.00127763 0.000450705 0.00244214 9
2458 42 C 38.2356 3.60263 17.4558 0.00034713 0.00149447 -0.00382341 9
2459 43 C 38.0534 3.50561 18.8598 -0.00221651 -0.00138966 -0.00352264 9
2460 44 C 39.1532 3.64658 19.717 0.00260353 0.000124257 -0.00062279 9
2461 45 C 34.7501 6.6909 18.2069 0.00533505 0.000839106 -0.00335328 9
2462 46 C 34.9323 6.60317 16.8358 -0.00405961 -0.000283207 -0.00118765 9
2463 47 C 35.6845 5.58641 16.2346 0.00101367 0.000941456 -0.00343509 9
2464 48 C 36.1623 4.57002 17.0797 -0.00304209 -0.000328485 0.0019784 9
2465 49 C 36.9987 3.37967 16.6231 -9.95986e-05 -0.00250635 0.00279656 9
2466 50 C 35.9028 4.59171 18.4916 0.000185176 0.00547285 -0.000705102 9
2467 51 C 35.2041 5.67194 19.0493 0.00202608 -0.00251945 0.00348604 9
2468 52 O 39.5842 4.25864 15.5463 -0.00079922 -0.00207911 -0.00309871 9
2469 53 O 36.0554 0.890802 15.0692 -0.000451457 0.00108035 -0.000603074 9
2470 54 O 35.8245 5.49838 14.8803 -0.00192755 0.00441449 0.00444524 9
2471 55 C 31.1376 3.4023 31.6163 -0.000374775 0.000765414 0.00193166 9
2472 56 C 31.9168 2.1574 31.1696 0.0031552 -0.00111551 0.00246484 9
2473 57 C 39.7089 3.3236 14.49 -0.00104085 -0.00165714 -0.00162251 9
2474 58 C 39.3079 3.96642 13.1586 -0.000474159 0.00280189 0.000704255 9
2475 59 C 38.9246 2.99473 11.9728 -0.00243195 -0.000893445 -0.00391529 9
2476 60 C 38.8111 3.65643 10.5784 -0.00250425 0.000474025 -0.000262555 9
2477 61 C 38.4182 2.71648 9.44653 0.00356522 0.000416133 0.00101351 9
2478 62 C 38.3185 3.45319 8.08307 0.0025393 0.000232555 -0.00220887 9
2479 63 C 37.8329 2.56503 6.88966 -0.00218859 0.0044411 0.00239324 9
2480 64 C 37.872 3.22826 5.51869 0.00528158 -0.0028803 -0.00217046 9
2481 65 C 37.3243 2.28877 4.43619 -0.00206476 -0.00137903 -0.000688747 9
2482 66 C 38.2145 2.31014 3.13109 0.000880663 0.00326726 0.00135665 9
2483 67 C 38.5524 3.67916 2.51669 -9.15737e-05 0.00266021 0.00265866 9
2484 68 C 38.9566 3.57631 1.02888 0.00106745 0.00121655 -0.00071791 9
2485 69 F 35.1037 1.02322 23.0158 0.00501966 0.00457093 -2.43929e-05 9
2486 70 C 37.2587 0.369074 14.4831 -6.68111e-05 0.000363529 -0.0018521 9
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2514 98 C 25.6659 4.0338 37.6295 0.00199652 0.00540322 0.0021707 9
2515 99 C 25.5871 3.33466 39.0108 -0.000949347 -0.00140435 -0.00520703 9
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2517 101 C 25.4575 3.23728 41.5787 -0.00358432 0.000314087 0.00257055 9
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2521 105 C 25.6144 2.80868 46.6407 0.000587358 0.000487318 -0.00223609 9
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2544 128 C 33.7223 -1.29538 45.9721 0.00013129 -0.000291081 -0.00118447 9
2545 129 C 32.5531 -0.554261 46.6091 -0.001781 -0.000915554 -0.00197144 9
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2606 190 H 37.5104 -0.0974773 8.04226 0.00415075 0.000824255 0.00668838 9
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2635 219 H 35.325 4.36728 4.2558 -0.00170947 0.0141553 -0.0195447 9
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2642 226 H 34.9675 3.28915 0.295864 0.00277813 -0.00710897 0.00345826 9
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2645 229 H 26.1143 3.08672 32.4602 0.00356653 -0.0022494 -0.00176634 9
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2648 232 H 24.7563 4.38704 34.9372 0.0104608 0.00839492 0.00622489 9
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2663 247 H 26.27 2.06575 43.9032 0.00404239 0.00298387 0.00265123 9
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2668 252 H 26.1053 1.83038 46.7144 0.00314148 0.00246352 0.00706265 9
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2711 295 H 31.8718 -1.26311 43.6763 0.00192875 0.00885028 0.0196774 9
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2713 297 H 34.9792 -1.30177 44.1947 -0.00498565 -0.00551937 -0.015346 9
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2720 2 C 37.1676 13.432 29.8536 0.00146309 -0.0015624 0.00509093 10
2721 3 C 36.6367 12.3218 29.2146 0.000439195 -0.000230908 -0.00189439 10
2722 4 C 35.9759 11.3031 29.9496 -0.00137747 0.0035324 0.0037586 10
2723 5 C 35.8556 11.3856 31.3817 -0.00298603 -0.00281596 -0.00124613 10
2724 6 C 36.373 12.557 32.0396 -0.00473576 -0.000498981 0.00562579 10
2725 7 C 31.3716 10.1374 30.8548 0.000952923 0.00100434 -0.000842453 10
2726 8 C 31.549 10.0437 29.4536 3.14286e-05 0.000460251 9.83756e-05 10
2727 9 C 32.8129 10.0068 28.8974 0.000485213 -0.00120197 0.00232245 10
2728 10 C 33.9231 10.0882 29.7596 -0.00164456 0.00361094 0.000250976 10
2729 11 C 33.7705 10.1869 31.1642 -0.000594477 0.00413047 0.000373879 10
2730 12 C 32.4535 10.2292 31.7313 -0.000568854 -0.00130099 -0.00377888 10
2731 13 C 37.1877 6.86199 31.4927 0.000471052 -0.00281726 -0.000445691 10
2732 14 C 37.3877 6.85566 30.1284 -0.00295063 -0.00241079 -0.00152755 10
2733 15 C 36.7667 7.84227 29.3929 -6.67289e-05 0.000599083 0.00273681 10
2734 16 C 36.0335 8.86988 30.0296 -0.00162207 0.00397905 0.00365455 10
2735 17 C 35.3704 10.0501 29.2916 -0.00123862 0.00166171 0.00266825 10
2736 18 O 36.4019 7.78886 33.5716 0.00200121 0.00392946 0.000777019 10
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2738 20 O 36.402 12.7671 33.4234 0.000687525 0.000452708 0.00182058 10
2739 21 C 36.4516 7.86796 32.1784 -0.0032382 0.000893962 0.00120601 10
2740 22 C 35.6177 9.99078 27.8398 0.00298737 -0.00156883 -0.000408556 10
2741 23 C 36.0264 9.94218 26.718 -0.000798048 0.00532165 -0.00139876 10
2742 24 C 36.7561 9.95149 25.4817 -0.00247457 0.00516024 -0.0030702 10
2743 25 C 36.4379 9.20437 24.3272 0.00109987 -0.00179737 0.00536353 10
2744 26 C 37.3971 9.1553 23.2916 -0.00248366 0.00165011 0.00405694 10
2745 27 C 38.5376 9.95401 23.336 -0.00207119 -0.00396788 0.000893586 10
2746 28 C 38.8353 10.6941 24.4805 0.000226488 -0.0031775 -0.00251311 10
2747 29 C 37.9327 10.733 25.5441 -0.00321383 -0.0009674 0.00152957 10
2748 30 C 39.4096 10.0619 22.1903 0.00112346 0.00181656 0.00134351 10
2749 31 C 39.9695 10.2058 21.1261 -0.00060656 0.000635915 -0.00295347 10
2750 32 C 38.4424 7.0127 18.5544 -9.14448e-05 -0.00120451 0.00235737 10
2751 33 C 38.6117 7.1252 17.1658 0.00122391 -0.00174575 0.00319862 10
2752 34 C 39.4686 8.08729 16.627 -0.00456618 0.00246535 -5.65977e-06 10
2753 35 C 40.0296 9.01907 17.5196 -0.00371324 -0.00153851 -0.00479895 10
2754 36 C 39.8526 8.95339 18.9153 0.00107698 -0.000929557 -0.00178173 10
2755 37 C 39.0891 7.90703 19.4263 0.00285045 -0.00466974 0.00028097 10
2756 38 C 40.4102 10.1661 19.7186 -0.00194526 -0.00320752 0.0010214 10
2757 39 C 44.2781 10.304 19.7921 -0.00199699 0.000838029 0.00297566 10
2758 40 C 44.4997 10.2876 18.4049 0.00271819 -0.00121174 -0.00307003 10
2759 41 C 43.4117 10.2748 17.4826 -0.00049434 8.50188e-05 -0.0031126 10
2760 42 C 42.1386 10.1575 17.9742 -0.00323752 0.000995453 0.00204584 10
2761 43 C 41.9118 10.185 19.3761 0.000584772 -0.002631 0.00204717 10
2762 44 C 42.9898 10.2965 20.2548 -0.000694023 0.00033016 -0.00460835 10
2763 45 C 38.8702 13.6235 18.6963 -0.00507941 0.000111887 -0.0012992 10
2764 46 C 39.1698 13.5806 17.3268 -0.00221756 0.00289309 0.00177773 10
2765 47 C 39.8659 12.4929 16.74 -0.002487 0.00210149 0.00207916 10
2766 48 C 40.1684 11.4249 17.5599 -0.00729804 -0.00120959 -1.2849e-05 10
2767 49 C 40.892 10.1462 17.0658 -0.000146457 -0.00180678 0.00236621 10
2768 50 C 39.8573 11.4165 18.9686 -0.00103037 -0.00291149 -0.00184574 10
2769 51 C 39.1936 12.5447 19.5285 0.00487742 0.000842533 -0.00121007 10
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2774 56 C 35.8501 8.8862 31.4212 -0.000364223 -0.000553143 -0.00434242 10
2775 57 C 44.8126 9.8509 15.5168 0.00360205 -0.000493703 -0.0016368 10
2776 58 C 44.6837 10.0646 14.0022 -0.00167184 0.000318281 -0.000189173 10
2777 59 C 44.2104 8.8693 13.2089 -0.00025523 0.00455783 -0.00143121 10
2778 60 C 42.7038 8.89761 12.9819 0.000611712 0.000942481 -0.000400744 10
2779 61 C 42.2765 9.85665 11.8226 0.00174643 0.00132784 -0.00412366 10
2780 62 C 42.5839 9.33038 10.4311 -0.00056276 0.000666637 0.00253545 10
2781 63 C 41.8374 10.187 9.40802 0.000972899 -0.00170684 0.00143865 10
2782 64 C 42.5011 10.2678 7.98252 -0.00072547 0.00179936 -0.000444137 10
2783 65 C 41.4088 10.3714 6.87105 0.0035243 -0.00374708 0.00493292 10
2784 66 C 41.8824 10.9093 5.51925 -0.0016557 -0.00554025 -0.00162848 10
2785 67 C 42.2018 9.75366 4.51566 9.16426e-05 -0.00133857 -0.000402216 10
2786 68 C 42.6214 10.3178 3.0958 0.000119928 0.00267749 -0.00272796 10
2787 69 F 37.0119 8.44055 22.1949 0.00091543 0.00045356 -0.00350916 10
2788 70 C 39.1902 7.26108 14.283 0.00039224 -0.0016918 -0.00290673 10
2789 71 C 39.2265 7.93025 12.8978 -0.000143766 0.000910495 -0.00272567 10
2790 72 C 38.7291 7.0423 11.7512 -0.000647138 0.0013436 -0.000193514 10
2791 73 C 38.6899 7.79949 10.4108 -0.000735555 0.00323242 -0.00316506 10
2792 74 C 38.1921 6.94588 9.2219 -0.00204387 -0.00151219 -0.000100435 10
2793 75 C 38.2278 7.73041 7.89849 -0.000505986 -0.00230398 -0.00288418 10
2794 76 C 37.907 6.86692 6.66735 -0.0011363 -0.000700374 0.000191555 10
2795 77 C 38.1186 7.64523 5.32972 -0.000562875 0.00599231 0.00158846 10
2796 78 C 38.3394 6.63454 4.14817 -0.000914142 0.00525853 -0.000897842 10
2797 79 C 38.86 7.29009 2.86628 -0.00115753 0.000397918 0.00285319 10
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2799 81 C 36.7241 7.08193 1.53856 0.00112043 0.00276567 -0.00187661 10
2800 82 C 40.5503 13.4966 14.574 0.00562341 -0.0020742 -0.00839918 10
2801 83 C 41.1114 13.0417 13.2249 -0.00516374 0.000503998 0.0046276 10
2802 84 C 41.4623 14.2975 12.3789 0.000685189 0.000414012 0.0012907 10
2803 85 C 41.6356 13.9953 10.8618 0.000276243 0.000848385 -0.0025692 10
2804 86 C 42.0784 15.2575 10.0387 0.000864972 0.00439838 -0.00185173 10
2805 87 C 42.4062 15.0598 8.51378 0.00283616 -0.0028953 -0.000898735 10
2806 88 C 41.4801 14.1847 7.71664 -0.00265522 -0.00281357 -0.000668953 10
2807 89 C 41.3782 14.4629 6.19525 -0.000516337 -0.00160371 0.00197113 10
2808 90 C 42.7148 14.4413 5.46071 -0.00316477 0.000485806 -0.000173762 10
2809 91 C 42.5753 14.0383 3.99185 -0.00410705 -0.00250543 -0.000121956 10
2810 92 C 41.4003 14.7191 3.25391 -0.000646683 -0.00164896 -0.00283469 10
2811 93 C 41.5001 14.3513 1.76955 -3.70438e-05 0.00122555 -0.000759335 10
2812 94 C 30.8568 10.441 33.615 0.00340865 0.00181468 0.00312388 10
2813 95 C 31.0205 10.5495 35.1234 0.00134335 0.0050215 0.00150301 10
2814 96 C 29.8664 10.2822 36.0967 -0.00275143 0.000245519 0.00380988 10
2815 97 C 30.4494 10.07 37.5045 0.00425506 0.00211058 -0.00351497 10
2816 98 C 29.4581 10.038 38.6566 -0.00324631 0.00497114 0.00124099 10
2817 99 C 30.3089 9.65609 39.8703 -0.000948889 0.00363815 0.00295999 10
2818 100 C 29.5975 9.57627 41.2174 0.0042475 -0.000911447 1.69445e-05 10
2819 101 C 29.4684 10.9464 41.9103 -0.00036418 0.000380284 0.00448832 10
2820 102 C 29.7634 10.9271 43.4531 -0.00470151 -0.00302534 0.000211045 10
2821 103 C 28.7749 10.0537 44.2167 0.00186336 0.00580032 0.000854299 10
2822 104 C 28.8798 10.2337 45.7434 0.00343562 -0.00501902 0.00412137 10
2823 105 C 30.2198 9.70476 46.2409 0.00195136 -0.000442974 -0.000610362 10
2824 106 C 36.9301 14.0035 33.971 -0.000136951 0.00140528 0.00261756 10
2825 107 C 36.8112 14.2385 35.4772 -0.0026249 -0.00243701 -0.00158684 10
2826 108 C 37.7041 15.4148 35.9854 0.00101407 -0.00321549 0.00158521 10
2827 109 C 37.3996 15.7848 37.4647 0.00254132 -0.00108988 -0.00329852 10
2828 110 C 37.4731 14.6169 38.4281 0.000654005 0.000343124 0.00542642 10
2829 111 C 36.686 14.8598 39.741 -0.00249611 -0.00116293 0.000327841 10
2830 112 C 37.532 15.7482 40.6985 -0.00107447 -0.000266743 0.00329379 10
2831 113 C 36.7954 15.9135 42.0595 0.00162353 0.00423675 0.00306783 10
2832 114 C 36.9161 14.6092 42.8823 0.000864541 -0.00242546 0.00218534 10
2833 115 C 36.4532 14.7255 44.3809 0.000520022 0.00242971 -0.00328247 10
2834 116 C 37.5184 15.3186 45.3351 -0.00174748 0.000632216 -0.000864819 10
2835 117 C 37.0172 15.3997 46.8123 -0.00109408 0.00397652 0.00220856 10
2836 118 C 36.978 6.63975 34.264 0.000906922 0.00106002 -0.000466778 10
2837 119 C 36.7876 6.55752 35.8104 -0.00074839 0.000769325 0.00215415 10
2838 120 C 37.6658 5.49823 36.5191 0.00168245 -0.000684074 0.0011284 10
2839 121 C 37.402 5.4206 38.0665 -0.00594237 -0.0028492 -0.00415788 10
2840 122 C 38.0064 6.62468 38.796 0.00407055 0.000476277 0.0010342 10
2841 123 C 37.5686 6.78717 40.2999 0.00292261 0.00204285 0.00107322 10
2842 124 C 37.8511 5.59641 41.1954 0.00293065 -0.00346169 -0.00238402 10
2843 125 C 37.0304 5.58084 42.5241 0.0028199 -0.00317404 0.00209027 10
2844 126 C 37.5928 6.38678 43.7039 -0.0010487 0.00113317 0.00167206 10
2845 127 C 36.8768 5.99067 45.0465 0.000512149 0.00173207 -0.000836357 10
2846 128 C 37.0129 7.01671 46.1895 0.0024619 0.000331139 0.00261613 10
2847 129 C 38.4864 7.31632 46.615 0.00126627 -0.00420889 -0.00322833 10
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2852 134 H 30.3588 10.1953 31.2424 0.00410424 0.00238899 0.00721227 10
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2854 136 H 32.9264 9.88304 27.8244 -0.00562948 -0.00865045 0.0025302 10
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2867 149 H 38.9101 14.4274 16.6985 0.00479618 0.0107496 0.00948889 10
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2869 151 H 38.8258 12.5837 20.5496 -0.00807964 -0.0080591 -0.00551316 10
2870 152 H 35.0061 10.1575 33.0526 0.0168568 -0.0104287 -0.00638166 10
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2913 195 H 37.3931 6.0888 4.04722 0.00129572 0.000692547 0.00306552 10
2914 196 H 39.6165 8.04344 3.11857 0.00461426 -0.010865 0.0190763 10
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2922 204 H 41.2663 14.1879 15.0352 0.00886103 -0.0092828 -0.00265188 10
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2924 206 H 40.4394 12.3976 12.6445 -0.022274 0.0154667 0.0078672 10
2925 207 H 40.6568 15.0361 12.4733 0.00241493 -0.000265156 0.0213485 10
2926 208 H 42.3393 14.8261 12.7723 -0.00611276 0.00451228 0.01094 10
2927 209 H 42.3991 13.2204 10.7204 0.000789419 0.00088988 -4.63506e-05 10
2928 210 H 40.6621 13.7058 10.447 0.0080564 -0.0104309 -0.0128804 10
2929 211 H 41.2822 16.0094 10.1032 -0.00162417 0.00221421 -0.00718441 10
2930 212 H 42.8933 15.7492 10.5842 -0.00349089 0.00704363 0.00229988 10
2931 213 H 42.5222 16.0656 8.09167 -0.00605967 -0.000238926 0.00300091 10
2932 214 H 43.3972 14.6013 8.40883 0.00579389 0.00449695 -0.00529758 10
2933 215 H 41.7715 13.1424 7.89571 0.000812033 -0.00321099 -0.00863805 10
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2935 217 H 40.7202 13.7176 5.73154 -0.00897902 -1.16558e-05 0.0114213 10
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2962 244 H 30.7711 10.5012 43.5338 -0.00408301 0.00101594 0.013514 10
2963 245 H 29.7856 11.9176 43.9241 0.00144464 -0.00632602 0.0068951 10
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2965 247 H 28.9165 9.03154 43.8446 0.00400228 0.00595387 0.0012521 10
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2986 268 H 35.7391 16.1014 41.8307 -0.00122881 -0.0150788 0.000268693 10
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2989 271 H 35.6164 15.432 44.4446 0.00663772 0.00914051 0.00306673 10
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3022 2 C 41.2757 6.61533 29.7536 0.000920708 0.00156024 -0.00320648 11
3023 3 C 40.8021 5.52088 29.0323 -0.00150141 -0.00442338 -0.00109352 11
3024 4 C 40.0754 4.53625 29.7036 -0.000748049 0.00378443 -0.00403937 11
3025 5 C 39.8519 4.61555 31.0891 -0.000285733 -0.00239719 -0.0028349 11
3026 6 C 40.3814 5.72711 31.8281 -0.00224133 0.000342732 0.00136123 11
3027 7 C 35.3917 3.516 30.4342 -0.00141881 -0.00393532 0.00168647 11
3028 8 C 35.5893 3.49771 29.0426 -0.00230611 0.00193573 0.00326612 11
3029 9 C 36.8848 3.49905 28.531 0.00022964 -0.00276065 -0.00258732 11
3030 10 C 37.9847 3.42862 29.4047 -0.00367694 0.00381498 0.00322472 11
3031 11 C 37.7883 3.44385 30.8163 -0.0012761 0.00112372 0.00210117 11
3032 12 C 36.4882 3.58934 31.3424 0.00194509 -0.00515181 -0.00152044 11
3033 13 C 40.8925 -0.0383304 31.3303 -0.00133788 -9.99067e-05 -0.000475176 11
3034 14 C 40.9584 -0.104431 29.9233 -0.00318054 -0.00151764 -0.00387322 11
3035 15 C 40.5543 0.983048 29.1782 0.00160276 -0.000124935 0.000642733 11
3036 16 C 39.974 2.10763 29.7884 -0.00334893 -0.00425482 -0.00212606 11
3037 17 C 39.4496 3.33659 28.9953 0.00288 0.000258443 -0.000414039 11
3038 18 O 40.1472 0.937649 33.349 -0.0026975 0.00104445 -0.000251248 11
3039 19 O 36.2387 3.7202 32.7157 -0.00174659 0.00379034 -0.0024772 11
3040 20 O 40.2291 5.85812 33.1995 -0.00108826 -0.00106586 0.000330584 11
3041 21 C 40.2585 1.03942 31.9761 0.00132417 -4.69028e-05 0.000175753 11
3042 22 C 39.7257 3.23095 27.5496 0.00723244 -0.00460704 -0.00265507 11
3043 23 C 40.2854 3.24433 26.4444 0.00172521 -0.00565633 -0.00434445 11
3044 24 C 40.9923 3.32887 25.2135 -0.00508703 -0.00293273 -0.000703212 11
3045 25 C 41.1573 4.58384 24.6242 0.00340773 -0.000155553 -0.000769901 11
3046 26 C 42.0583 4.73046 23.5597 0.000974129 -0.00266032 0.000619883 11
3047 27 C 42.764 3.63537 23.0872 -0.00338163 0.00342454 0.00296579 11
3048 28 C 42.5492 2.37324 23.6561 0.00216754 -0.00170395 -0.00110113 11
3049 29 C 41.6551 2.18358 24.7214 0.00133923 0.00191873 0.00211289 11
3050 30 C 43.5402 3.75835 21.8957 0.0015993 -0.0013621 0.00087443 11
3051 31 C 44.0446 3.7449 20.7965 0.00111996 0.00204593 -0.00137746 11
3052 32 C 42.8377 0.100495 18.8801 -0.0048103 -0.00170336 -0.00204141 11
3053 33 C 43.2128 -0.159799 17.5733 -0.00349811 0.000841178 -0.000578445 11
3054 34 C 43.7676 0.893642 16.7856 -0.00715347 -0.0023086 0.00187149 11
3055 35 C 43.9915 2.15652 17.3993 0.000330774 -0.00173193 0.00255385 11
3056 36 C 43.7492 2.32585 18.7871 0.00228577 0.0021644 -0.00270232 11
3057 37 C 43.119 1.30106 19.5001 -0.00108184 -0.00265179 0.000135571 11
3058 38 C 44.3549 3.61268 19.3627 -0.00358692 -0.00310707 0.00132616 11
3059 39 C 48.248 3.57082 19.1692 0.00168849 0.00156178 0.00198643 11
3060 40 C 48.3952 3.5981 17.7728 0.00484829 -0.00264716 -0.00291349 11
3061 41 C 47.2687 3.48571 16.9575 -0.003174 0.00292961 0.00174533 11
3062 42 C 46.0193 3.4216 17.5187 -0.0025522 0.00195727 -0.00025672 11
3063 43 C 45.8241 3.53421 18.9034 -0.000591636 -0.000522112 -0.0016238 11
3064 44 C 46.9599 3.6165 19.711 0.00116295 -8.64577e-05 -0.00122351 11
3065 45 C 42.6182 6.80218 18.005 0.00408057 0.00277864 0.00142331 11
3066 46 C 42.8594 6.67342 16.6295 -0.000134526 -0.000486845 -0.00318587 11
3067 47 C 43.5714 5.56291 16.1835 0.000356718 -0.00096183 0.00456626 11
3068 48 C 44.0036 4.60059 17.1282 -0.00223518 0.00408745 -0.00231988 11
3069 49 C 44.7208 3.31013 16.747 0.000367246 -0.00306232 0.000468125 11
3070 50 C 43.7962 4.77357 18.4872 0.000330347 -0.00383326 -0.00515706 11
3071 51 C 43.1264 5.90498 18.9469 -1.50226e-06 0.00319009 -0.0040192 11
3072 52 O 47.4102 3.72333 15.6277 -0.00173818 0.000952036 0.00347987 11
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3075 55 C 39.0585 3.40969 31.6707 -0.00285424 -0.00186064 -0.00094863 11
3076 56 C 39.749 2.13602 31.1804 0.000415841 -0.000167658 0.00236004 11
3077 57 C 47.2385 2.69233 14.6302 -0.000902745 2.42491e-05 0.00535933 11
3078 58 C 46.436 3.23225 13.4474 0.00166359 -0.0027973 -0.00295407 11
3079 59 C 46.9557 2.74716 12.0873 -0.000336128 0.000742344 -0.00195239 11
3080 60 C 46.1996 3.29703 10.8862 -0.000710586 0.000158572 -0.00386793 11
3081 61 C 46.9404 2.84781 9.58004 0.00274611 -0.000204435 0.000847779 11
3082 62 C 46.382 3.37222 8.21544 0.00106712 0.00127329 0.000171686 11
3083 63 C 47.1521 2.79983 6.98374 -0.00344372 -0.00285045 5.03556e-05 11
3084 64 C 46.9593 3.54681 5.6342 -0.00433262 0.00362657 0.00132192 11
3085 65 C 45.675 3.22546 4.83656 -0.000356398 9.12971e-05 -0.000403111 11
3086 66 C 45.9844 2.71545 3.38407 -0.00117797 -5.76746e-05 -0.00362576 11
3087 67 C 46.4446 3.82722 2.43392 -0.00177301 0.00146324 0.00496061 11
3088 68 C 46.5113 3.30842 1.00422 0.00379465 0.00239225 -0.000754751 11
3089 69 F 42.1926 5.94869 22.9255 -0.00147007 -0.00020308 -0.0021018 11
3090 70 C 44.3252 -0.638485 14.9541 -7.90219e-05 0.00187026 0.000434491 11
3091 71 C 45.1079 -0.592824 13.6523 0.00138405 -0.000242748 -0.000883838 11
3092 72 C 45.6097 -1.99882 13.1959 -0.00195632 0.00220603 0.00114349 11
3093 73 C 46.1844 -2.17892 11.7561 -0.00357624 -0.00580827 -0.000137614 11
3094 74 C 45.576 -1.31273 10.6269 0.00209759 -0.000500118 0.00285012 11
3095 75 C 46.0807 -1.87988 9.28629 -0.00216538 -0.000463634 -0.00297739 11
3096 76 C 45.4436 -1.09261 8.12503 -0.000860312 -0.000108878 -0.00250891 11
3097 77 C 45.8845 -1.55118 6.70929 -0.000155728 0.00357159 -0.00086241 11
3098 78 C 45.2104 -0.639972 5.65157 0.00215762 -0.00112337 0.00329711 11
3099 79 C 45.8291 -0.55263 4.26355 -8.04861e-05 0.00247374 -0.00684364 11
3100 80 C 46.0585 -1.85664 3.50771 -0.000910518 -0.00121306 -0.000491848 11
3101 81 C 46.1197 -1.57645 2.02021 -0.00280168 -0.00436024 0.00107733 11
3102 82 C 42.7053 5.3206 13.8902 0.0014035 -0.00242309 -0.00079445 11
3103 83 C 43.3725 5.27136 12.4648 0.00326179 0.00208057 0.00489703 11
3104 84 C 42.403 5.07764 11.284 -0.00500224 0.00255793 0.000675602 11
3105 85 C 43.2156 5.25605 9.97872 0.00109005 -0.00207836 0.00105005 11
3106 86 C 42.4705 5.03131 8.70551 0.000229433 0.00131712 0.000473784 11
3107 87 C 41.8754 6.34517 8.12298 0.00104388 -0.00138139 0.00350988 11
3108 88 C 41.4169 6.20995 6.62391 0.000256094 0.00343178 0.000330366 11
3109 89 C 42.5773 6.17701 5.59801 0.00302697 0.00193371 -0.000515194 11
3110 90 C 42.0558 6.05563 4.15325 -0.00360861 -0.00113271 -0.00406806 11
3111 91 C 43.1814 6.26616 3.16687 -0.00162012 0.000381115 -0.00367032 11
3112 92 C 42.6889 6.34228 1.72194 -0.00438441 -0.000343802 0.00342388 11
3113 93 C 42.3926 4.9701 1.12685 -0.00273868 0.00244292 -0.000931119 11
3114 94 C 34.8719 3.5818 33.1912 0.00106778 -0.00118379 -0.00147215 11
3115 95 C 34.5574 4.13445 34.5867 0.00212097 0.0046681 -0.000666887 11
3116 96 C 33.4324 3.33345 35.2926 0.00129836 0.00139096 -0.000253268 11
3117 97 C 32.8692 3.86937 36.6333 0.00282287 0.00473402 0.00284793 11
3118 98 C 33.793 3.67191 37.8771 -0.00217921 0.000220007 -0.00310288 11
3119 99 C 33.1728 4.19178 39.1603 0.00179027 0.00264482 0.00246094 11
3120 100 C 34.0347 3.94952 40.3945 0.000705392 -0.00209702 -0.00144666 11
3121 101 C 33.2282 4.15663 41.669 0.000440513 -0.00091496 0.00182251 11
3122 102 C 33.8762 3.63215 42.9759 0.00397745 -0.000327725 0.000300358 11
3123 103 C 33.1178 4.10018 44.2541 0.000703476 -0.00195512 0.00703353 11
3124 104 C 33.7264 3.4926 45.5398 0.00508125 0.000185845 0.000961604 11
3125 105 C 32.8794 3.80338 46.7853 0.000524996 -0.00172275 0.000269368 11
3126 106 C 40.8053 7.04398 33.7998 0.00295475 0.00150139 3.47874e-05 11
3127 107 C 40.6005 7.28796 35.3349 -0.00447375 0.00221696 -0.00188657 11
3128 108 C 41.3559 8.51501 35.9008 0.00242022 0.00172437 -0.00212302 11
3129 109 C 41.2974 8.63776 37.4548 0.00671014 -0.00199495 -5.60681e-05 11
3130 110 C 42.2444 7.71398 38.2856 0.000344772 -0.000468912 0.00448116 11
3131 111 C 42.2875 8.0781 39.7896 -6.69225e-05 0.000439453 0.00519114 11
3132 112 C 40.9892 7.88642 40.5546 -0.000339838 0.000626868 -0.00183073 11
3133 113 C 41.0888 7.79438 42.0819 -0.00263168 -0.00120022 0.0051384 11
3134 114 C 41.7658 8.99447 42.713 -0.00123089 -0.00451473 -0.00154579 11
3135 115 C 41.6106 9.08161 44.2657 0.00243203 -0.00281874 -0.00533571 11
3136 116 C 41.9483 7.79846 45.0491 0.00112524 -0.00206321 -0.00227264 11
3137 117 C 41.9237 8.02498 46.5953 0.000958227 0.000489181 0.00568889 11
3138 118 C 40.173 -0.315538 34.1007 -0.000336411 0.0021588 -0.000453184 11
3139 119 C 40.3002 0.0916683 35.597 0.000404862 0.00211796 0.000962505 11
3140 120 C 40.7749 -0.97534 36.6155 -0.00558552 -0.00415194 0.00433698 11
3141 121 C 40.7627 -0.384949 38.0532 -0.00345925 -0.000276696 0.000990859 11
3142 122 C 41.3523 -1.27627 39.148 0.00273014 -0.00114214 -0.00224958 11
3143 123 C 41.3749 -0.497515 40.48 -0.00212621 0.00472507 -0.00142861 11
3144 124 C 41.7783 -1.27577 41.7405 -0.00210833 0.000301711 -0.000819692 11
3145 125 C 41.42 -0.519812 43.0466 8.49128e-05 0.00418281 0.000361398 11
3146 126 C 41.6648 -1.30297 44.3579 0.000656247 -0.00427975 -0.00568164 11
3147 127 C 40.8163 -0.819386 45.543 -0.0019828 0.00134853 -0.00497757 11
3148 128 C 41.3257 -1.27993 46.8944 -0.00373545 -0.000488717 0.00292044 11
3149 129 C 40.7962 -0.396447 48.0137 -0.00133488 -0.000630091 -0.000652962 11
3150 130 F 40.4841 5.64509 25.1472 -0.000497636 0.000759483 -0.00192587 11
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3152 132 H 41.7508 7.42044 29.2009 0.00238611 0.00683624 0.00575623 11
3153 133 H 40.9962 5.47009 27.965 -0.00193415 0.0156744 -0.0021243 11
3154 134 H 34.3573 3.37675 30.7343 -0.00433027 0.0251417 0.00500689 11
3155 135 H 34.7088 3.44039 28.4094 0.00682818 0.00138427 -0.00933282 11
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3158 138 H 41.3959 -0.955336 29.4095 0.00846187 0.00139297 0.0012172 11
3159 139 H 40.6658 0.934708 28.0991 -0.0122685 -0.0176335 -1.56266e-06 11
3160 140 H 43.084 1.49599 23.3043 0.0115829 0.0075833 -0.00986653 11
3161 141 H 41.5377 1.24723 25.2589 0.00530032 -0.00857999 -0.0154103 11
3162 142 H 42.3691 -0.666476 19.4896 0.012225 -0.00552681 0.00625921 11
3163 143 H 43.0247 -1.13892 17.1428 0.00394368 -0.000147397 -0.00158467 11
3164 144 H 42.8716 1.406 20.5524 0.00250367 0.00386386 0.000328551 11
3165 145 H 49.0877 3.6193 19.8561 -0.00168682 0.00328925 0.00600159 11
3166 146 H 49.3654 3.69092 17.2937 0.00291452 0.00036333 -0.0062543 11
3167 147 H 46.8091 3.67259 20.7851 -0.00938897 -0.00196444 -0.00259136 11
3168 148 H 42.0974 7.6922 18.3457 -0.00786541 -0.00317295 -0.0013285 11
3169 149 H 42.5246 7.45146 15.9499 0.00209565 0.00374695 0.000554642 11
3170 150 H 44.788 3.24356 15.6541 -0.0109341 -0.000386698 -0.000408301 11
3171 151 H 42.832 6.04613 19.9827 -0.00907364 0.00722635 -0.00712197 11
3172 152 H 38.8924 3.39273 32.755 -0.00482903 0.00619995 -0.00113589 11
3173 153 H 48.2427 2.43551 14.271 -0.00207131 0.00480517 -0.00132424 11
3174 154 H 46.7666 1.76938 14.9892 -0.000127825 0.00439366 0.017562 11
3175 155 H 46.5174 4.32585 13.476 0.00553725 -0.00307577 -0.0030344 11
3176 156 H 45.3977 2.89536 13.5561 0.00416952 -0.0128565 -0.0100513 11
3177 157 H 46.9438 1.65037 12.1052 0.0128479 0.000710295 0.00557291 11
3178 158 H 47.994 3.09274 12.0111 0.00537416 -0.0171665 -0.00508203 11
3179 159 H 46.2463 4.39299 10.8961 -0.00289577 0.000196176 0.00109233 11
3180 160 H 45.1608 2.94686 10.8458 0.00083333 -0.00451431 -0.00305299 11
3181 161 H 47.0542 1.75696 9.60275 0.00908502 0.000212108 -0.0112688 11
3182 162 H 47.978 3.19645 9.6532 0.0026627 -0.00202175 0.0107988 11
3183 163 H 46.4644 4.46602 8.20066 0.0111137 0.000585588 0.0058582 11
3184 164 H 45.3039 3.17442 8.17001 -0.000477068 0.0114076 -0.00726107 11
3185 165 H 46.8822 1.74979 6.81638 0.00843349 -0.00843076 0.0161389 11
3186 166 H 48.227 2.88589 7.18517 -0.00105632 -0.000193714 -0.0137289 11
3187 167 H 47.8227 3.34033 4.98981 -0.00223634 -0.00813061 0.00792423 11
3188 168 H 47.0607 4.62629 5.80109 0.00138582 0.00385976 -0.00359795 11
3189 169 H 45.0668 4.13758 4.79787 -0.00222844 -0.000607802 0.0124518 11
3190 170 H 45.0955 2.50022 5.42101 0.0029977 0.00514901 0.00923288 11
3191 171 H 45.1127 2.22512 2.93321 -0.00148055 -0.00262108 -0.000251375 11
3192 172 H 46.7279 1.91652 3.49516 0.0132059 0.012979 -0.00648684 11
3193 173 H 47.4228 4.22615 2.72947 0.00467454 -0.00414761 -0.00878744 11
3194 174 H 45.7723 4.69265 2.3843 -0.00707179 -0.00340769 -0.0085172 11
3195 175 H 45.5023 3.059 0.653272 0.00293485 0.00487633 -5.10091e-05 11
3196 176 H 47.1546 2.42607 0.899605 0.00371156 0.00361067 -0.0116672 11
3197 177 H 46.9198 4.07509 0.33435 0.000978842 0.00756772 0.00346472 11
3198 178 H 44.94 -1.19567 15.6717 -0.00144858 0.00537941 0.00433208 11
3199 179 H 43.3767 -1.18053 14.8549 0.000262725 0.00184932 -0.00268895 11
3200 180 H 44.5189 -0.0950977 12.8721 0.0091329 0.00367519 -0.00425182 11
3201 181 H 45.9638 0.0843749 13.7628 0.0108735 -0.0115027 -0.00516833 11
3202 182 H 46.3191 -2.44353 13.9048 -0.0017968 -0.00455752 -0.0032449 11
3203 183 H 44.7449 -2.66822 13.2813 0.00676954 -0.00938204 -0.0012811 11
3204 184 H 47.2785 -2.10126 11.7425 -0.0038338 -0.00352853 -0.00784689 11
3205 185 H 45.9473 -3.22408 11.522 0.0157707 -0.0100602 -0.000701182 11
3206 186 H 44.4808 -1.35254 10.6757 0.00224177 -0.00215742 0.00475174 11
3207 187 H 45.916 -0.278692 10.7633 0.00510198 -0.00142421 0.00239224 11
3208 188 H 47.1702 -1.80926 9.17901 -0.00186169 0.00394653 0.0030509 11
3209 189 H 45.7427 -2.92026 9.20419 0.000637546 -0.00211543 0.00647659 11
3210 190 H 44.3517 -1.17295 8.19458 -0.00113248 0.00901956 0.00379155 11
3211 191 H 45.6934 -0.0320903 8.25277 -0.00840877 0.00217224 -0.0066899 11
3212 192 H 46.9532 -1.34668 6.56948 0.00153231 -0.000892914 0.00566968 11
3213 193 H 45.6956 -2.61778 6.53583 0.00251591 0.00340842 -0.00277314 11
3214 194 H 44.2177 -1.08402 5.50739 0.00568179 -0.00525964 -0.0083579 11
3215 195 H 45.1451 0.366611 6.08278 0.00717391 0.000951918 -0.00079351 11
3216 196 H 45.1192 0.0270226 3.66063 -0.00993182 0.000551942 0.00289266 11
3217 197 H 46.7916 -0.0346916 4.35727 0.000435912 0.00228494 -0.0111319 11
3218 198 H 46.9838 -2.29913 3.89664 0.00246294 0.00882805 0.00293847 11
3219 199 H 45.2538 -2.59263 3.62691 0.00350447 -0.0050967 0.00528074 11
3220 200 H 46.9226 -0.884651 1.7371 -0.00698135 0.00339338 0.00817005 11
3221 201 H 46.2184 -2.52923 1.48554 -0.0032731 0.00205957 -0.0104374 11
3222 202 H 45.1612 -1.15764 1.68946 0.00104642 -0.0022459 -0.00738399 11
3223 203 H 42.1264 4.39394 13.9878 -0.0070997 0.00174682 -0.0115842 11
3224 204 H 42.0865 6.20872 14.0683 -0.00959475 -0.00763387 -0.0132686 11
3225 205 H 43.8682 6.23954 12.3223 -0.00115001 0.00651025 0.0195346 11
3226 206 H 44.1368 4.48468 12.4455 0.00212013 0.00128212 -0.00751018 11
3227 207 H 41.9531 4.07788 11.3231 0.0029503 -0.000978883 0.00174905 11
3228 208 H 41.5928 5.81716 11.2926 -0.0152899 -0.00859711 -0.00797048 11
3229 209 H 43.6767 6.2509 9.94616 -0.00152494 -0.000962367 -0.00186949 11
3230 210 H 44.0599 4.55571 9.97845 -0.00527536 -0.00974829 0.00444602 11
3231 211 H 43.1937 4.61467 7.9936 0.0100824 -0.011262 0.017848 11
3232 212 H 41.6169 4.35938 8.85823 0.00199341 0.00159622 0.0114961 11
3233 213 H 41.0047 6.68325 8.69821 0.00488944 0.00900901 0.00323532 11
3234 214 H 42.6081 7.16002 8.17434 0.000213092 -0.000288494 -0.00190117 11
3235 215 H 40.8215 5.29572 6.50963 -0.00668381 0.00857389 -0.00459716 11
3236 216 H 40.7684 7.05653 6.36673 -0.0181375 -0.0122801 -0.00502109 11
3237 217 H 43.1925 7.07875 5.7066 0.00705149 -0.00142116 0.004596 11
3238 218 H 43.2767 5.34881 5.766 0.00360818 0.00116658 -0.00666668 11
3239 219 H 41.6485 5.04943 3.99483 -0.00120493 -0.00204332 -0.00447338 11
3240 220 H 41.2357 6.75802 3.95923 0.00391031 0.00766137 -0.00392788 11
3241 221 H 43.6669 7.20938 3.44614 0.00809064 -0.00529677 -0.00137482 11
3242 222 H 43.907 5.45797 3.32072 -0.000311444 0.00276475 0.00272864 11
3243 223 H 41.8003 6.98519 1.70027 0.00156889 0.00772109 -0.00132928 11
3244 224 H 43.4541 6.80685 1.08788 0.00509651 -0.0104191 0.00747312 11
3245 225 H 41.9239 5.06724 0.139809 0.00175376 -0.0142246 -0.0047002 11
3246 226 H 43.2511 4.28947 1.06999 0.00205216 0.00931267 -0.0105046 11
3247 227 H 41.6601 4.46809 1.77087 0.00154044 -0.00379263 -0.000918123 11
3248 228 H 34.1944 4.07845 32.4857 0.00127793 -0.0130673 -0.0101054 11
3249 229 H 34.5435 2.53532 33.1713 0.00463394 -0.00203399 -0.0150523 11
3250 230 H 35.4475 4.11891 35.2277 -0.00370255 0.0088671 0.00751674 11
3251 231 H 34.2232 5.17445 34.486 -0.000771573 0.00248796 -0.0136862 11
3252 232 H 32.5797 3.29314 34.6037 0.00902307 0.00178723 -0.00983563 11
3253 233 H 33.863 2.34032 35.4708 -0.000383938 0.00314412 0.0136378 11
3254 234 H 32.5596 4.91827 36.5477 -0.00484428 0.00196153 -0.00336773 11
3255 235 H 31.9387 3.32413 36.8343 0.00845755 0.000705503 0.0180181 11
3256 236 H 33.9829 2.59963 38.0096 -0.00483995 0.000778831 0.00526874 11
3257 237 H 34.7118 4.25097 37.7223 -0.00589344 0.00949509 0.0093713 11
3258 238 H 33.046 5.27263 39.0221 -0.00377607 -0.000217278 -0.014884 11
3259 239 H 32.1769 3.74579 39.2738 0.0036569 0.00364804 0.0226985 11
3260 240 H 34.4211 2.92284 40.388 -7.88696e-05 -0.00237446 -0.00414552 11
3261 241 H 34.9119 4.60766 40.3685 -0.00313801 0.00330963 0.00591795 11
3262 242 H 33.0463 5.23391 41.768 -0.0201464 -0.0047323 0.0051201 11
3263 243 H 32.2991 3.58825 41.5383 -0.00624766 0.011274 -0.0034155 11
3264 244 H 33.9218 2.53616 42.964 0.0182661 0.000317523 -0.00398759 11
3265 245 H 34.895 4.03281 43.0459 0.000394637 0.00838568 0.00274104 11
3266 246 H 33.0905 5.19683 44.2584 0.000738818 -0.00196403 0.00882869 11
3267 247 H 32.0733 3.76788 44.209 0.000513222 -0.000360644 -0.000170381 11
3268 248 H 33.79 2.39989 45.4666 0.00753772 0.000499196 -0.00157576 11
3269 249 H 34.7649 3.83018 45.6449 0.00180801 0.00537978 0.0165126 11
3270 250 H 33.4057 3.56364 47.7174 -0.0012826 0.00427747 0.00284414 11
3271 251 H 32.6362 4.87299 46.8001 0.0103228 0.000267337 0.0169298 11
3272 252 H 31.9369 3.2436 46.7426 -0.00146507 0.0023959 -0.0100005 11
3273 253 H 41.8886 7.03598 33.6274 0.0039792 0.00481047 0.00628566 11
3274 254 H 40.3951 7.92004 33.2824 0.00438136 -0.00196103 -0.00695869 11
3275 255 H 39.5382 7.38884 35.5895 -0.00522032 -0.0129162 0.00103975 11
3276 256 H 41.0644 6.46364 35.8905 -0.00866995 -0.00155822 -0.00400921 11
3277 257 H 42.4161 8.48366 35.6211 0.00311767 0.000603685 0.000628906 11
3278 258 H 40.8976 9.41347 35.4694 -0.00528661 -0.000222466 0.00198052 11
3279 259 H 41.4864 9.68247 37.731 0.00490528 -0.00588238 0.0159013 11
3280 260 H 40.2807 8.40612 37.7956 0.00735172 -0.0107604 -0.00408176 11
3281 261 H 42.0159 6.65772 38.097 -0.000406546 0.000183277 0.00171574 11
3282 262 H 43.2521 7.89101 37.8899 -0.00891642 0.00448204 -0.0169356 11
3283 263 H 43.0876 7.50775 40.2774 -0.00802837 -0.00351661 0.0136111 11
3284 264 H 42.6066 9.12685 39.8308 -0.00794483 0.00294976 0.0022346 11
3285 265 H 40.2881 8.67713 40.2604 0.00398477 -0.00308641 -0.0221643 11
3286 266 H 40.4958 6.94995 40.2665 0.000761173 -0.00144261 0.00299366 11
3287 267 H 40.0756 7.72448 42.4967 -0.0021548 -0.0112583 0.00459294 11
3288 268 H 41.634 6.88647 42.368 0.00416332 0.00401818 0.00876537 11
3289 269 H 42.8297 8.98667 42.4455 0.00033848 0.00715379 0.00432804 11
3290 270 H 41.3599 9.91233 42.2701 0.00399405 0.00478649 0.012929 11
3291 271 H 42.2312 9.94132 44.547 0.00180298 -0.00170889 -0.00731617 11
3292 272 H 40.5808 9.37031 44.51 -0.00133675 -0.00560559 -0.0179289 11
3293 273 H 41.2486 7.00621 44.7555 0.00488428 -0.00261769 -0.00975359 11
3294 274 H 42.9422 7.41202 44.7918 0.0023476 -0.00107106 0.000951774 11
3295 275 H 41.0238 8.58482 46.8785 0.00831787 0.0157998 -0.00125452 11
3296 276 H 41.8808 7.08104 47.1526 -0.0013181 -0.003893 -0.00193204 11
3297 277 H 42.85 8.49649 46.9461 0.0081266 -0.0035435 -0.007783 11
3298 278 H 39.242 -0.879987 33.966 0.00132195 -0.000109922 -0.00235682 11
3299 279 H 41.0601 -0.933957 33.9165 -0.0116429 -0.0160511 0.00624414 11
3300 280 H 39.3802 0.54897 35.9815 -0.000725339 -0.00430779 0.00589074 11
3301 281 H 41.0308 0.909937 35.6092 0.0173623 -0.0130235 0.000245345 11
3302 282 H 41.7638 -1.37948 36.366 0.00187015 0.00714549 0.0156574 11
3303 283 H 40.1036 -1.84053 36.5511 -0.00983859 -0.00168829 0.01591 11
3304 284 H 39.7139 -0.194044 38.3122 -0.00658986 0.00103461 -0.0126153 11
3305 285 H 41.2645 0.587578 37.9771 0.00391902 -0.00468103 -0.00681853 11
3306 286 H 42.3338 -1.69042 38.8862 0.00516551 -0.0022541 0.00861892 11
3307 287 H 40.6999 -2.15061 39.2631 0.00381094 -0.00197533 -0.00245084 11
3308 288 H 40.3586 -0.108815 40.6195 -0.00711497 -0.010237 0.00383124 11
3309 289 H 42.0318 0.380113 40.4393 0.00349895 0.000848034 0.00547591 11
3310 290 H 42.8511 -1.50252 41.7064 -0.0011414 0.00459267 0.00105893 11
3311 291 H 41.2416 -2.23247 41.7409 -0.0119286 0.00580852 -0.00076877 11
3312 292 H 40.3528 -0.272179 42.9898 0.000732761 0.00893935 0.00900058 11
3313 293 H 41.9816 0.417854 43.1402 0.00187238 0.00193391 0.0123577 11
3314 294 H 42.7192 -1.22194 44.6497 0.000512236 0.00813059 -0.00864521 11
3315 295 H 41.5025 -2.37648 44.2009 -0.00611504 -0.00345254 -0.00432188 11
3316 296 H 39.7671 -1.1196 45.4315 0.000734939 -0.00534403 -0.0124908 11
3317 297 H 40.8251 0.277555 45.5503 -0.0004791 0.00130455 0.000245655 11
3318 298 H 42.4176 -1.17416 46.9068 -0.00375534 0.000575766 -0.00440163 11
3319 299 H 41.0788 -2.3326 47.0796 -0.0187268 0.00149791 -0.00578709 11
3320 300 H 41.3941 -0.5589 48.919 -0.0103955 -0.00214019 0.00503532 11
3321 301 H 39.7198 -0.536771 48.1723 -0.000932148 -0.00237275 0.000511978 11
3322 302 H 40.8951 0.678719 47.8197 -0.00128666 -0.00133381 -0.00448936 11
3323 1 C 44.7742 13.5954 31.1356 0.00115008 -0.00451415 0.0018101 12
3324 2 C 44.8467 13.4884 29.7553 -0.000739021 -0.00160362 0.000491114 12
3325 3 C 44.3827 12.3642 29.1151 0.00228359 0.00186218 -0.000342014 12
3326 4 C 43.8308 11.2966 29.8595 -0.00117604 -0.00102567 0.00449064 12
3327 5 C 43.7374 11.4002 31.2802 -0.00180644 -0.00247619 0.00116232 12
3328 6 C 44.1362 12.5994 31.9086 0.00270097 0.00323316 -0.00212287 12
3329 7 C 39.2538 10.0134 30.9101 0.00290375 0.000956749 0.000465687 12
3330 8 C 39.37 9.92647 29.5196 -0.00276806 -0.00577256 -0.00049508 12
3331 9 C 40.6608 9.97673 28.9505 -0.000475607 -0.0044244 -0.00396598 12
3332 10 C 41.7859 9.99713 29.7481 0.000800019 0.00130171 0.00327519 12
3333 11 C 41.663 10.0843 31.1375 -0.00532072 0.00536731 0.000269523 12
3334 12 C 40.4024 10.1473 31.7001 0.00139934 -0.00348456 -0.00131125 12
3335 13 C 44.9303 6.74609 31.4746 -0.00283728 -0.00594255 -0.00232432 12
3336 14 C 45.0598 6.73016 30.0696 0.00193971 -0.00223086 -0.00180394 12
3337 15 C 44.5057 7.79371 29.3335 -0.00257868 -0.00132902 -0.000905205 12
3338 16 C 43.8969 8.86426 29.9849 0.000271568 0.000407664 0.00127852 12
3339 17 C 43.2133 10.0192 29.2153 0.00235965 -0.00336364 0.00407025 12
3340 18 O 44.0856 7.66202 33.5751 -0.000429026 -0.00205536 0.00220786 12
3341 19 O 40.36 10.2574 33.0693 -0.00411817 0.0030301 0.000194463 12
3342 20 O 43.9769 12.7793 33.2726 0.00107201 -0.00122423 0.00164728 12
3343 21 C 44.273 7.79601 32.2119 0.000836188 -0.00276274 -0.00378429 12
3344 22 C 43.4164 10.0325 27.7866 0.00179754 0.00211498 0.00405821 12
3345 23 C 43.8409 10.114 26.6374 -0.00581671 0.00262774 -0.000550405 12
3346 24 C 44.7033 10.2304 25.4852 -0.00261303 -0.00187685 0.00298535 12
3347 25 C 44.5968 11.3342 24.6379 0.000597634 -0.00184491 0.00726131 12
3348 26 C 45.458 11.4571 23.5568 0.000844499 -0.00376985 0.00190618 12
3349 27 C 46.5229 10.507 23.4001 -0.00333136 0.000851974 0.000181239 12
3350 28 C 46.5944 9.36379 24.228 0.000919336 0.00459815 -0.0036985 12
3351 29 C 45.7106 9.27536 25.2958 -0.00396775 0.000813091 0.00067653 12
3352 30 C 47.3364 10.5478 22.2382 -0.00375043 0.00154478 -0.000269871 12
3353 31 C 47.8477 10.5322 21.1438 -0.000443183 0.00225946 -0.00111465 12
3354 32 C 46.4989 7.05333 18.9284 -0.000845363 0.00333407 -0.000967321 12
3355 33 C 46.7026 7.05523 17.5268 -0.00148666 0.000584369 0.00425466 12
3356 34 C 47.3385 8.14157 16.8973 -0.00104929 0.00219695 0.00271484 12
3357 35 C 47.8141 9.22113 17.6638 -0.000513023 0.00229468 0.000713828 12
3358 36 C 47.5564 9.27488 19.0762 -0.000485369 -7.58538e-06 -0.00464503 12
3359 37 C 46.9081 8.1829 19.6892 0.0046486 -0.00481382 9.64945e-05 12
3360 38 C 48.162 10.4919 19.7303 0.00105787 -0.00424465 -4.08746e-05 12
3361 39 C 52.0668 10.4412 19.6655 0.000514367 0.00080743 -0.000389033 12
3362 40 C 52.2794 10.3745 18.2831 -0.00564513 -0.000702132 0.00368529 12
3363 41 C 51.147 10.3932 17.4289 -0.00411088 -0.00126004 0.000847256 12
3364 42 C 49.8672 10.3926 17.9811 -0.00111097 -0.00309149 0.00182289 12
3365 43 C 49.654 10.4343 19.3603 -0.00171671 -0.00286645 0.00252174 12
3366 44 C 50.7524 10.4411 20.1922 -0.00255185 0.00174211 0.000423604 12
3367 45 C 46.5508 13.8587 18.5857 -0.0011427 0.0036185 -0.00236713 12
3368 46 C 46.7829 13.8002 17.2106 0.0038863 0.00206743 -0.0024543 12
3369 47 C 47.4625 12.6937 16.674 -0.000439038 0.0022365 -0.00152049 12
3370 48 C 47.8895 11.6806 17.5442 -0.0020209 -0.000561723 -0.0017303 12
3371 49 C 48.5826 10.4232 17.1323 -0.00352667 -0.00164343 -0.00365854 12
3372 50 C 47.6501 11.7112 18.9258 -0.00157757 0.00126679 -0.00125484 12
3373 51 C 46.9709 12.8023 19.426 0.00223195 0.00342619 -0.00043573 12
3374 52 O 51.2706 10.4653 16.0723 -0.000436629 -0.000817619 -0.00103244 12
3375 53 O 47.5678 8.12415 15.5327 -0.00325903 -0.00305702 -0.0025846 12
3376 54 O 47.5263 12.5335 15.3076 0.00394006 -0.000173823 0.000669754 12
3377 55 C 42.9883 10.176 31.8772 0.000397338 0.00325823 -0.00331183 12
3378 56 C 43.7564 8.90174 31.425 0.00114932 0.00344856 -0.00252469 12
3379 57 C 52.3228 9.80014 15.3568 -0.00343009 0.00157318 0.00197529 12
3380 58 C 51.8552 9.52887 13.9172 0.00137343 -0.00338796 0.00350556 12
3381 59 C 50.4236 9.956 13.476 0.00130971 0.00119318 0.0013073 12
3382 60 C 49.9463 9.46362 12.1003 0.00143576 -0.00493873 -0.00341258 12
3383 61 C 50.6925 10.0892 10.8585 0.000926676 0.00231875 -0.000335674 12
3384 62 C 49.9459 9.65188 9.60349 -0.0016201 0.00160078 0.000442069 12
3385 63 C 50.7237 10.0132 8.31261 -0.00248446 0.00126314 0.00376516 12
3386 64 C 49.9376 9.58042 7.05994 -0.000625352 0.00101994 0.00415402 12
3387 65 C 50.8002 9.72903 5.75217 -0.0046549 0.00347643 0.00117599 12
3388 66 C 49.9125 9.44028 4.49775 0.00326083 -0.00128142 -0.00427783 12
3389 67 C 50.686 9.62698 3.18969 0.00351885 -0.00123588 0.00485938 12
3390 68 C 49.78 9.60025 1.9199 -0.000515072 -0.00138456 0.00494645 12
3391 69 F 45.2561 12.4936 22.7006 -0.00299677 -0.000334551 0.00303739 12
3392 70 C 47.0547 7.09654 14.6575 0.000741254 0.00422255 -0.00209058 12
3393 71 C 47.5779 7.52523 13.2682 0.000633508 0.000125874 0.00155491 12
3394 72 C 46.9065 6.86432 12.0691 -0.000875236 0.00259888 0.000916412 12
3395 73 C 47.2668 7.5196 10.7295 -0.00420817 -0.00181167 -0.000754306 12
3396 74 C 46.2955 7.12485 9.57233 -0.00138741 0.00125014 -0.00445088 12
3397 75 C 46.7855 7.39886 8.16244 0.00500968 0.00268455 -0.00486128 12
3398 76 C 45.6561 7.16043 7.13384 0.000154208 -0.000956039 -0.000898799 12
3399 77 C 46.0909 7.2468 5.67236 0.00115677 0.00272046 -0.00621466 12
3400 78 C 46.207 8.6548 5.14364 -0.00283481 -0.00190954 -0.00290653 12
3401 79 C 46.1 8.81093 3.63572 -0.00433719 -0.00155837 -0.00159386 12
3402 80 C 46.7779 7.6981 2.75555 0.00432982 0.000460093 -0.00167732 12
3403 81 C 46.5824 7.8937 1.23518 -0.00304341 -0.00114067 -0.00207502 12
3404 82 C 48.6758 12.9581 14.586 -0.00178727 -0.00105506 0.00297688 12
3405 83 C 48.4141 12.998 13.0526 0.00435736 -0.00588246 -0.00582237 12
3406 84 C 49.5937 13.4493 12.1751 0.00278148 -0.000193434 -0.00218634 12
3407 85 C 49.2499 13.4714 10.6704 0.000276811 -0.00129842 0.00430089 12
3408 86 C 50.4196 13.9741 9.80572 -0.00195914 -0.00203054 -0.0040794 12
3409 87 C 49.9971 14.5492 8.48525 0.000950081 0.00304354 -0.001437 12
3410 88 C 50.1365 13.5996 7.28428 -0.00192304 0.00113605 0.000538304 12
3411 89 C 49.9665 14.3118 5.89831 0.000400351 -7.1247e-05 -0.0016824 12
3412 90 C 50.2424 13.3769 4.72977 -0.00224109 0.00287736 0.00182427 12
3413 91 C 50.0389 14.126 3.38197 0.00549179 0.00187296 0.00271671 12
3414 92 C 50.2273 13.2608 2.10676 0.00333695 -0.000189745 0.000992172 12
3415 93 C 49.9717 14.0474 0.823779 0.00107205 -0.000488833 0.00386994 12
3416 94 C 39.303 10.9391 33.7607 -0.00343471 0.004515 0.00204837 12
3417 95 C 38.1886 10.0018 34.1727 -0.00121425 -0.00227362 0.000606971 12
3418 96 C 37.4529 10.3862 35.4171 -0.00283139 0.000397726 -0.00225426 12
3419 97 C 38.1874 10.1613 36.7312 -0.00454268 0.00308437 -0.000375806 12
3420 98 C 37.5987 11.0183 37.869 0.00198809 0.00100561 -0.000144969 12
3421 99 C 37.8501 10.3082 39.2163 -0.00386638 -0.000284959 0.00122563 12
3422 100 C 37.4816 11.101 40.4732 -0.00169427 0.00228706 -0.000966681 12
3423 101 C 37.6468 10.2505 41.7871 -4.75707e-05 0.00110286 0.0039586 12
3424 102 C 37.3118 11.1359 43.004 0.00142966 0.00155295 -0.00060434 12
3425 103 C 37.5148 10.4075 44.3444 -0.00482756 9.09207e-05 -0.000809457 12
3426 104 C 37.3458 11.3563 45.5384 -0.00230943 -0.00188419 0.000369407 12
3427 105 C 37.84 10.6549 46.8358 0.0022497 -0.00140276 -0.00103821 12
3428 106 C 44.9252 13.5773 34.005 -0.000538459 0.00437692 -0.00156698 12
3429 107 C 44.6217 13.8295 35.5163 -0.000867789 0.00154139 -5.60458e-05 12
3430 108 C 45.7486 14.6563 36.1702 -0.00165539 0.00044345 -0.000898255 12
3431 109 C 46.1199 14.2423 37.6074 -0.00638204 -0.00284977 -0.00101233 12
3432 110 C 45.1593 14.7135 38.6956 -0.00188147 0.00319399 0.00181904 12
3433 111 C 45.7311 14.4973 40.1421 0.000900915 -0.00177719 0.0045574 12
3434 112 C 44.7529 15.1508 41.1744 0.00131361 -0.00302646 0.00241376 12
3435 113 C 45.3474 15.3566 42.614 0.00326908 -7.39494e-05 0.00335367 12
3436 114 C 45.5487 13.9999 43.3724 0.000677742 -0.000849355 -0.00122704 12
3437 115 C 44.9861 13.9233 44.7997 0.00368864 5.21939e-05 -0.0033103 12
3438 116 C 45.8941 14.598 45.8471 0.00111103 0.00100791 0.000206788 12
3439 117 C 45.9512 16.1204 45.7696 -0.00417259 -0.00184762 -0.00024691 12
3440 118 C 44.9717 6.79439 34.3154 -0.000571066 -0.000328517 -0.00368173 12
3441 119 C 44.625 6.56769 35.8412 -0.00659064 0.00391582 0.00296222 12
3442 120 C 45.175 5.30415 36.5401 0.00292158 -0.00155989 -0.00133379 12
3443 121 C 45.3857 5.60768 38.0159 -0.00170714 0.00179366 -0.00393104 12
3444 122 C 45.7799 4.38205 38.9051 -0.00234788 0.00315554 -0.00049751 12
3445 123 C 46.6258 4.74764 40.1157 -0.00445437 -0.000526622 0.00380027 12
3446 124 C 45.9491 5.7053 41.1045 -0.00193825 0.000261061 0.00256788 12
3447 125 C 44.7729 5.07279 41.8611 0.00677635 0.00101211 0.00503594 12
3448 126 C 44.2797 5.98214 43.0248 -0.000713545 -0.00280733 0.00303146 12
3449 127 C 45.3097 6.06411 44.1788 -0.00286391 4.97218e-05 0.000783038 12
3450 128 C 45.3056 4.97251 45.2384 0.000209835 -0.00037366 0.00422334 12
3451 129 C 44.4666 5.44412 46.4095 0.00237227 -7.63016e-05 0.000222737 12
3452 130 F 43.6208 12.2559 24.8071 -0.000463461 -0.000674191 -0.000785699 12
3453 131 H 45.1171 14.5353 31.558 0.0037589 -0.011196 0.0145246 12
3454 132 H 45.2887 14.2915 29.1729 0.0144767 -0.00419604 0.00844877 12
3455 133 H 44.4212 12.3551 28.0298 -0.0146634 0.0153774 -0.00106508 12
3456 134 H 38.2568 9.99506 31.3402 -0.000927699 0.0168633 -0.00773016 12
3457 135 H 38.4493 9.85895 28.9475 -0.00341607 0.00302331 -0.000493173 12
3458 136 H 40.7809 9.91084 27.8732 0.00531523 0.00352634 -0.00380586 12
3459 137 H 45.4031 5.90838 31.9787 0.0140714 0.00956962 0.00764286 12
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3461 139 H 44.4888 7.71685 28.2504 0.00486196 -0.00231559 -0.000945073 12
3462 140 H 47.3528 8.59484 24.1139 -0.00104821 0.000956392 0.0076074 12
3463 141 H 45.7763 8.43414 25.9795 -0.000270863 -0.00656334 -0.00875827 12
3464 142 H 46.0771 6.20029 19.4517 0.00848283 -0.00234922 -0.0027059 12
3465 143 H 46.4263 6.17743 16.9502 0.00684775 -0.000148312 0.00136167 12
3466 144 H 46.771 8.11574 20.7644 -0.00643818 0.00824284 -0.000522924 12
3467 145 H 52.9333 10.5421 20.3123 0.00444756 -0.00776021 -0.00432207 12
3468 146 H 53.2586 10.4662 17.8224 -0.00346829 0.0104314 0.0105364 12
3469 147 H 50.671 10.5013 21.2735 -0.00854842 0.0108544 -0.000549069 12
3470 148 H 46.04 14.6978 19.0487 0.00748384 0.00846333 -0.00162308 12
3471 149 H 46.3617 14.5882 16.5934 0.00450092 0.00313733 -0.00150924 12
3472 150 H 48.7523 10.3859 16.0491 -0.00875985 -0.0131637 -0.00407728 12
3473 151 H 46.7509 12.9065 20.4844 0.00458826 -0.000850593 0.000466755 12
3474 152 H 42.8282 10.254 32.9596 -0.00393312 0.0121927 -0.00458715 12
3475 153 H 53.2447 10.3947 15.3558 0.00159367 -0.00621643 -0.00204356 12
3476 154 H 52.5548 8.83412 15.8219 -0.00728671 -0.00157985 -0.0026479 12
3477 155 H 51.8587 8.43881 13.794 0.00776282 -0.00272315 -0.0021618 12
3478 156 H 52.5378 9.9766 13.1844 0.0114102 -0.0140087 0.00641157 12
3479 157 H 50.4076 11.0519 13.5221 0.0210774 0.00135986 0.00462358 12
3480 158 H 49.6721 9.5751 14.1785 -0.00324472 -0.00309673 -0.0058752 12
3481 159 H 48.8817 9.70913 12.0008 0.00132008 -0.00453232 -0.00115568 12
3482 160 H 50.0089 8.37 12.0412 -0.0152208 -0.00574255 -0.00656668 12
3483 161 H 51.7379 9.7617 10.9166 0.00184561 0.00523949 -0.000410975 12
3484 162 H 50.7121 11.186 10.8666 -0.0118705 0.00255511 -0.00123211 12
3485 163 H 49.0024 10.2108 9.63177 0.00193056 0.00731706 0.00672877 12
3486 164 H 49.7551 8.57382 9.67288 0.0026375 -7.47717e-08 -0.0129983 12
3487 165 H 51.7157 9.54536 8.33324 -0.00681942 -0.00838161 -0.00698582 12
3488 166 H 50.8946 11.0968 8.30636 0.00765409 -0.000315667 0.00707632 12
3489 167 H 49.0035 10.149 6.97323 0.00644396 0.00997676 -0.0131517 12
3490 168 H 49.6406 8.53102 7.17793 -0.00399008 0.00178368 0.00246708 12
3491 169 H 51.6394 9.02258 5.74542 -0.00461745 0.00359103 -0.00767214 12
3492 170 H 51.2231 10.7406 5.71631 0.00448377 -0.000198641 0.00512772 12
3493 171 H 49.0693 10.1409 4.53703 0.00205603 -0.00273027 -0.00440147 12
3494 172 H 49.6022 8.39009 4.56285 0.00564513 -0.00116172 0.00920883 12
3495 173 H 51.4562 8.84602 3.1742 -0.00235102 -0.00693607 0.000590958 12
3496 174 H 51.1795 10.6065 3.16802 -0.000117877 0.000540533 0.00195648 12
3497 175 H 48.8839 10.2266 2.00976 -6.48361e-05 -0.000156824 0.000925779 12
3498 176 H 49.3979 8.59187 1.7184 0.0116972 -0.00553813 0.00270058 12
3499 177 H 50.3346 10.0236 1.07339 0.00372197 0.00512571 0.0109577 12
3500 178 H 47.4621 6.12957 14.9774 0.0058864 0.00536766 -0.00518484 12
3501 179 H 45.9592 7.05426 14.698 0.000448128 0.00792708 -0.00609523 12
3502 180 H 47.4098 8.60673 13.194 0.00169928 0.000323418 0.00202458 12
3503 181 H 48.6464 7.32412 13.1221 0.00131654 0.00245741 0.00337879 12
3504 182 H 47.1721 5.80001 12.0804 0.000921431 0.00302415 -0.00198817 12
3505 183 H 45.8238 6.81952 12.2399 -0.00121 0.00421202 -0.000817064 12
3506 184 H 47.2717 8.61512 10.7863 -0.00588035 -0.00186876 0.00043955 12
3507 185 H 48.2952 7.24559 10.4634 -0.000104614 0.0107505 0.00211223 12
3508 186 H 46.001 6.07414 9.68501 0.0119156 -0.00234362 -0.00321196 12
3509 187 H 45.3879 7.72538 9.71082 0.00397966 0.00786982 0.00205855 12
3510 188 H 47.0753 8.45055 8.04675 0.00049132 0.00448404 0.000160747 12
3511 189 H 47.6298 6.73082 7.95192 0.00527006 0.00157332 -0.000296783 12
3512 190 H 45.2981 6.1369 7.30004 0.00922904 -0.0032257 0.00475602 12
3513 191 H 44.8233 7.84708 7.32973 0.00903096 0.00729779 0.00794454 12
3514 192 H 47.0657 6.74854 5.60191 0.00511335 0.00879537 0.00545891 12
3515 193 H 45.4049 6.6286 5.08022 0.000952449 -0.00305407 2.89698e-05 12
3516 194 H 45.4242 9.24169 5.63969 -0.00710862 -0.0060517 -0.0047569 12
3517 195 H 47.1414 9.11968 5.48159 0.000697449 -0.000849311 -0.0141305 12
3518 196 H 45.0403 8.90143 3.36698 -0.003822 -0.0167562 -0.00873783 12
3519 197 H 46.5597 9.76453 3.34813 -0.00779136 0.00323541 0.00882693 12
3520 198 H 47.8537 7.6911 2.97002 0.00418601 -0.00666037 -0.00123908 12
3521 199 H 46.3082 6.73355 2.98454 0.00819849 0.00132262 0.00980574 12
3522 200 H 47.2836 7.28128 0.65497 -0.0103474 -0.00541133 -0.00639855 12
3523 201 H 45.5772 7.63164 0.882393 -0.00408141 -0.00302429 0.00229388 12
3524 202 H 46.778 8.95044 1.01511 -0.000532516 -0.000837258 0.00158781 12
3525 203 H 48.9766 13.9756 14.8646 0.00718566 -0.003886 0.00362555 12
3526 204 H 49.4909 12.2573 14.8048 -0.000632397 -0.00225735 -0.00513747 12
3527 205 H 48.1156 12.0132 12.6726 -0.0181602 -0.0032455 0.00517639 12
3528 206 H 47.6603 13.7729 12.8661 0.00269165 -0.00787737 -0.00735121 12
3529 207 H 49.8935 14.4558 12.4922 0.00483276 0.00177514 -0.0103738 12
3530 208 H 50.4457 12.7657 12.2759 0.00167414 -0.000217344 0.00688987 12
3531 209 H 48.9193 12.4822 10.3305 0.00641339 0.00652874 -0.0244511 12
3532 210 H 48.3886 14.1249 10.4845 -0.00422999 -0.00645843 0.00703989 12
3533 211 H 50.995 14.7395 10.341 0.00288446 -0.00514177 -0.00482183 12
3534 212 H 51.1103 13.1384 9.63848 -0.00167975 -0.00451696 0.00946009 12
3535 213 H 48.9662 14.9205 8.53972 -0.00645232 -0.0170942 -0.00353116 12
3536 214 H 50.7229 15.3582 8.33596 0.00706398 -0.00221597 -0.000362424 12
3537 215 H 51.1418 13.1608 7.26772 -0.00941517 -0.0157464 -0.00735639 12
3538 216 H 49.4268 12.7669 7.36347 0.00963329 -0.00747992 0.0134922 12
3539 217 H 48.9372 14.6896 5.93391 -0.00431674 -0.0136112 0.00708234 12
3540 218 H 50.6812 15.1406 5.82248 -0.00545949 0.00261819 -0.0274182 12
3541 219 H 51.287 13.0419 4.72371 -0.00551472 -0.0071231 -0.0114923 12
3542 220 H 49.5497 12.5276 4.7764 -0.00837734 0.00631712 -0.0261443 12
3543 221 H 49.0632 14.6266 3.35369 0.000650814 -0.00744805 0.00474583 12
3544 222 H 50.818 14.8982 3.37114 0.00694273 0.000346725 -0.00160501 12
3545 223 H 51.2596 12.8901 2.08947 -0.000850532 -0.0114829 -0.00610078 12
3546 224 H 49.5475 12.4007 2.14469 -0.00883557 0.00955112 0.00378809 12
3547 225 H 50.6707 14.8794 0.674016 0.00330895 -0.00250895 0.00306688 12
3548 226 H 50.0952 13.3662 -0.027223 0.0137282 0.00573167 0.000740545 12
3549 227 H 48.9286 14.3862 0.799427 0.00165574 0.00110233 0.00107442 12
3550 228 H 39.6845 11.3933 34.6836 0.00737259 0.00831709 -0.00429951 12
3551 229 H 38.8837 11.7338 33.1314 0.00953559 0.00545802 -0.00539192 12
3552 230 H 37.5016 10.0316 33.318 -0.00440309 0.00422264 0.00340765 12
3553 231 H 38.5305 8.96369 34.2668 -0.00147637 -0.00149132 0.0101637 12
3554 232 H 37.1945 11.4482 35.323 0.00785414 0.00279845 -0.0045427 12
3555 233 H 36.5088 9.82845 35.4502 0.00260539 -0.00920445 -0.00891279 12
3556 234 H 38.0844 9.0991 36.9853 0.00243382 0.0034023 0.00374934 12
3557 235 H 39.2627 10.3527 36.629 -0.00494925 0.00887341 0.00623867 12
3558 236 H 38.0941 11.9966 37.8989 -0.00802028 0.00645337 -0.0129088 12
3559 237 H 36.5255 11.1859 37.7153 0.00358823 0.0126016 0.00133779 12
3560 238 H 37.268 9.37846 39.2261 -0.0109642 0.00398988 -0.0149187 12
3561 239 H 38.9106 10.0354 39.2827 -0.00689053 -0.0129496 -0.0025351 12
3562 240 H 38.0827 12.0176 40.5174 0.00559734 -0.00242979 -0.00256112 12
3563 241 H 36.4492 11.4698 40.4326 -0.000832293 0.0042749 -0.00476215 12
3564 242 H 36.9552 9.39946 41.7607 0.00259927 -0.000798419 -0.00421555 12
3565 243 H 38.6409 9.79142 41.8543 0.00894915 0.0190458 -0.00694062 12
3566 244 H 37.9361 12.0378 43.0028 -0.000296939 0.0027311 -0.00900664 12
3567 245 H 36.276 11.4914 42.9389 -0.00328068 -0.0117322 0.00184568 12
3568 246 H 36.7381 9.63396 44.389 0.000908371 -0.00601397 -0.00692904 12
3569 247 H 38.4758 9.8792 44.3169 -0.0102749 -0.0105632 0.0138855 12
3570 248 H 37.9422 12.268 45.4095 -0.00733243 0.000768705 -0.00403568 12
3571 249 H 36.2825 11.6099 45.6308 -0.00162971 -0.0013523 0.00671374 12
3572 250 H 38.846 10.2202 46.7871 0.00607932 0.00774439 -0.00358075 12
3573 251 H 37.9067 11.4391 47.6 -0.00761365 0.0018503 -0.00350995 12
3574 252 H 37.1169 9.89887 47.1656 -0.00629048 0.00120077 -0.0137839 12
3575 253 H 45.9097 13.1121 33.8719 0.00358029 0.0119997 0.00226232 12
3576 254 H 45.0948 14.558 33.5436 -0.0133878 0.00458177 -0.00580074 12
3577 255 H 43.6792 14.3591 35.7027 0.00106888 -0.00278988 0.0222182 12
3578 256 H 44.5056 12.8586 36.0134 0.0105513 0.00267741 0.00479479 12
3579 257 H 46.6351 14.5979 35.5267 0.00323706 0.00825554 0.00512969 12
3580 258 H 45.494 15.7222 36.1204 -0.00149367 0.00049652 -0.000586301 12
3581 259 H 46.1883 13.1479 37.6364 -0.00946411 -0.00267342 0.0124956 12
3582 260 H 47.1304 14.6169 37.8122 -0.00777393 -0.000163643 0.000933807 12
3583 261 H 44.9713 15.7888 38.5876 -0.0123974 0.000873438 -0.00280028 12
3584 262 H 44.2305 14.1324 38.6414 -0.00192869 0.00367041 -0.00235489 12
3585 263 H 45.929 13.4421 40.3673 0.00904171 -0.00382893 -0.0121416 12
3586 264 H 46.7368 14.9351 40.1592 0.00676211 -0.0145799 -0.00934817 12
3587 265 H 44.4136 16.125 40.8012 -0.0109538 -0.00431238 0.0101725 12
3588 266 H 43.8214 14.5754 41.2424 0.0026102 -0.003978 0.0120189 12
3589 267 H 46.2935 15.9118 42.6022 0.0043275 -0.00215789 -0.00862884 12
3590 268 H 44.6597 15.9869 43.1913 0.00229205 -0.00337483 0.00579651 12
3591 269 H 45.0328 13.1655 42.8815 0.00163207 -0.00592285 0.00634622 12
3592 270 H 46.6218 13.7783 43.4238 -0.000818338 -0.00614106 0.00734747 12
3593 271 H 43.971 14.338 44.8318 -0.00303319 -0.0157241 -0.0118377 12
3594 272 H 44.8619 12.8635 45.0544 -0.0126574 0.00337593 0.00261823 12
3595 273 H 45.6596 14.2276 46.8527 -0.0013052 0.00661962 0.00170239 12
3596 274 H 46.8963 14.2412 45.5791 -0.00111179 -0.00308195 -0.00270476 12
3597 275 H 44.9535 16.5751 45.7345 -0.00330021 0.000129284 0.000553119 12
3598 276 H 46.514 16.479 46.6403 0.0170583 0.00133757 -0.015255 12
3599 277 H 46.5334 16.4265 44.8917 0.00117995 0.00111013 0.00432661 12
3600 278 H 45.0486 5.78327 33.8969 -0.000679914 -0.00419516 0.00560886 12
3601 279 H 45.9824 7.21543 34.2477 -0.00291706 0.00630958 0.00259413 12
3602 280 H 43.5413 6.50999 36.0013 -0.00465399 -0.00336455 0.0135715 12
3603 281 H 44.9697 7.44398 36.4039 0.0125935 -0.00416449 0.00377452 12
3604 282 H 46.1754 5.06608 36.158 0.00405074 0.0122636 -0.00700113 12
3605 283 H 44.5584 4.40938 36.39 -0.00454578 0.00467857 -0.00784095 12
3606 284 H 44.4739 6.00117 38.4821 -0.00162341 0.000712975 -0.00284835 12
3607 285 H 46.1483 6.388 38.1293 -0.00338063 0.00158181 0.00892904 12
3608 286 H 46.2818 3.62932 38.2847 -0.0051871 -0.00736816 0.00999672 12
3609 287 H 44.8489 3.94615 39.288 -0.00194406 0.0103354 0.00869755 12
3610 288 H 47.5656 5.1899 39.7625 -0.00749494 0.00627841 0.00430152 12
3611 289 H 47.0488 3.88756 40.6493 0.0110131 0.00945808 0.0077708 12
3612 290 H 45.5741 6.59772 40.5884 -0.0105509 -0.00247736 0.00408021 12
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3614 292 H 45.0126 4.07817 42.2569 -0.0127062 -0.00203202 0.00922459 12
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3627 3 C 1.34151 19.1742 28.6212 -0.00253058 0.00608515 0.00289856 13
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3629 5 C 0.563952 18.2874 30.7522 0.0035755 -0.00237901 0.00290696 13
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3631 7 C -3.93772 17.0197 30.6074 0.000869595 0.00101933 -0.000802638 13
3632 8 C -3.85343 16.8655 29.2031 -0.00335627 -0.000122984 0.00193111 13
3633 9 C -2.63075 16.8553 28.5268 -0.000599623 0.00185937 0.00121355 13
3634 10 C -1.4638 16.9404 29.2808 -0.000422126 0.00200522 -0.000333351 13
3635 11 C -1.54745 17.071 30.6945 0.00224329 -0.00185812 0.00150113 13
3636 12 C -2.75783 17.0342 31.3554 -0.00185395 0.00222475 -0.000658616 13
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3638 14 C 1.74116 13.605 29.5271 -0.00401892 0.00501705 -0.00103803 13
3639 15 C 1.31673 14.6884 28.7765 -0.00241662 0.000698874 -0.00318071 13
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3646 22 C 0.150089 16.9145 27.2917 -0.00305296 -0.000146177 -0.000116153 13
3647 23 C 0.571943 16.9044 26.1555 -0.00101808 -0.00606675 -0.00153757 13
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3650 26 C 2.77944 15.8767 23.2522 -0.00124741 0.000514678 8.84263e-05 13
3651 27 C 3.15262 17.1527 22.7795 0.00211072 0.00117439 0.00329775 13
3652 28 C 2.57573 18.2939 23.347 -0.00272949 -0.00162169 0.000404419 13
3653 29 C 1.67187 18.2087 24.3875 0.00336428 0.000720137 0.00212009 13
3654 30 C 4.00438 17.2492 21.6266 7.39743e-05 0.0014851 0.00184561 13
3655 31 C 4.52583 17.3319 20.5546 -0.00116394 0.00182823 -0.00127129 13
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3661 37 C 3.79851 14.9855 18.9531 -0.00359444 0.00110617 -0.00349565 13
3662 38 C 4.96647 17.2815 19.1273 0.0020076 -0.00374575 -0.000416103 13
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3675 51 C 3.54927 19.4852 18.907 0.00119356 0.00364597 0.000311626 13
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3695 71 C 5.92968 13.8477 13.0706 0.00111228 -0.00307242 -0.0016927 13
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3699 75 C 6.91606 12.5879 8.27506 0.000657422 -0.00281726 0.00100628 13
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3711 87 C 2.98586 18.2695 8.20107 0.000493872 0.000179536 0.00197692 13
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3719 95 C -4.99907 17.3057 33.7977 0.00135602 -0.000714586 0.000874224 13
3720 96 C -5.77602 17.1035 35.1297 -0.00192396 0.00199484 0.00183917 13
3721 97 C -4.97043 16.9881 36.4497 -0.00114437 -0.003357 -0.000899057 13
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3723 99 C -5.05038 17.0237 39.0457 0.000445205 0.00499382 0.0030774 13
3724 100 C -6.05895 16.7053 40.1907 0.0033437 0.000483396 0.000681899 13
3725 101 C -5.56199 17.012 41.609 -0.00114451 -0.00230452 0.00126997 13
3726 102 C -6.61293 16.5324 42.6361 0.00150801 0.00376267 -0.00117435 13
3727 103 C -6.36011 16.9529 44.1353 0.000614862 -0.000994332 -0.00675636 13
3728 104 C -4.89823 16.9648 44.6133 -3.09661e-05 -0.00208231 -0.00188044 13
3729 105 C -4.81658 17.3441 46.0982 -0.00237429 -0.00292629 0.00177031 13
3730 106 C 1.70085 20.6493 33.456 -0.00382809 -0.00387612 -0.00168931 13
3731 107 C 1.61533 20.7126 34.9789 8.64387e-05 -0.00508727 -0.00142075 13
3732 108 C 2.19405 22.0986 35.4896 0.0068313 0.00388624 -0.00398865 13
3733 109 C 1.86004 22.3243 36.9777 0.00139837 0.00395073 -0.000900108 13
3734 110 C 2.64316 21.6045 38.115 -0.00186955 0.00254937 0.000711829 13
3735 111 C 2.02846 22.0311 39.5301 -0.00486855 0.00563361 0.00261323 13
3736 112 C 2.65856 21.3986 40.7354 -0.000507822 -0.00868813 -0.0010367 13
3737 113 C 2.0259 21.9471 42.0438 0.0020169 -0.00651169 0.00157186 13
3738 114 C 2.62184 21.2597 43.3223 -0.000984416 0.00121347 -0.000457445 13
3739 115 C 2.07233 21.907 44.5726 0.000350016 0.0026497 0.00133411 13
3740 116 C 2.72218 21.302 45.8271 0.00149632 -0.00340441 -0.000234733 13
3741 117 C 2.16854 21.9015 47.1327 0.00267535 -0.000756349 0.000914904 13
3742 118 C 1.94227 14.0973 33.8055 -0.00572594 -0.00132493 -0.0024009 13
3743 119 C 1.85407 12.5852 34.0679 0.00106937 -0.000154993 3.12942e-05 13
3744 120 C 2.39908 11.9664 35.3666 -0.00132922 0.000725739 5.4144e-05 13
3745 121 C 2.03541 12.6998 36.6992 -0.00200859 -0.000218839 -0.0011878 13
3746 122 C 2.27728 11.8417 37.9484 -0.00137656 -0.00304302 -0.00212656 13
3747 123 C 2.19212 12.6139 39.3059 -0.000943241 0.00470407 -0.000392344 13
3748 124 C 2.41031 11.8016 40.599 0.0020302 -0.000900407 0.00198384 13
3749 125 C 2.36769 12.6888 41.8836 0.00438542 -0.00236003 -0.00281315 13
3750 126 C 2.46715 11.9317 43.251 -0.000475915 -0.00170339 0.000531913 13
3751 127 C 2.53422 12.9023 44.481 -0.00269495 -0.00114144 -6.4327e-05 13
3752 128 C 2.90386 12.3474 45.8723 0.000292955 0.00178541 -0.0036076 13
3753 129 C 1.65485 11.7166 46.5153 -0.00236902 -0.0021588 0.00123108 13
3754 130 F 1.57013 14.5972 24.7888 -0.00298142 1.9132e-05 0.000656017 13
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3762 138 H 2.17717 12.753 29.0138 0.00456614 0.00303012 0.00957781 13
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3835 211 H 2.0513 19.9301 9.02114 -0.00717159 -0.00774888 0.00845762 13
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4052 126 C 6.09001 18.2751 42.8405 -0.00321285 -0.0045267 -0.00265303 14
4053 127 C 5.97908 19.0358 44.2257 -0.00492254 0.00287352 0.00795907 14
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4055 129 C 6.23592 18.9401 46.7014 -0.00682758 -0.00139067 -0.00322231 14
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4292 64 C 15.78 16.994 5.75611 0.00198416 0.000548386 -0.00116103 15
4293 65 C 14.4858 17.0699 4.89346 0.000310037 0.0021772 2.03209e-05 15
4294 66 C 14.7409 16.7798 3.40226 -0.000966297 -0.00220266 0.00039461 15
4295 67 C 15.4338 17.9312 2.6004 0.000758118 0.00287043 0.00353693 15
4296 68 C 15.5134 17.604 1.12079 -0.00310566 0.000306391 0.00408347 15
4297 69 F 11.7017 14.4297 23.1928 -0.00137914 -0.00255202 0.00268546 15
4298 70 C 12.9163 13.5421 14.7445 -0.00253336 0.00121714 -0.00026914 15
4299 71 C 13.7588 13.7429 13.4615 0.000693492 -0.000996638 -0.00669386 15
4300 72 C 14.051 12.4638 12.6807 -1.14026e-05 -0.00196613 -0.00146983 15
4301 73 C 14.4125 12.7244 11.1902 0.00161019 -0.0015689 -0.000970032 15
4302 74 C 14.747 11.454 10.4207 -7.3935e-07 -0.000442404 0.000298678 15
4303 75 C 15.4889 11.7305 9.08688 0.00249994 0.00701355 -0.000915471 15
4304 76 C 14.5032 12.22 8.00475 0.00216098 0.00207195 0.00136042 15
4305 77 C 15.347 12.4263 6.70046 -0.00128729 0.000823182 0.00101148 15
4306 78 C 14.539 12.7228 5.42793 -0.00167706 1.59965e-05 -0.00206986 15
4307 79 C 15.5057 13.0099 4.26043 0.00197145 0.00175664 -0.00288311 15
4308 80 C 14.8122 13.416 2.96049 -0.000205857 -0.00236757 -0.00349485 15
4309 81 C 14.1443 12.1866 2.31605 -0.001089 0.000553679 0.000971364 15
4310 82 C 11.2604 18.8856 14.3457 -0.00593435 -0.00404831 -0.00233705 15
4311 83 C 12.0568 18.7903 13.0438 -0.00250599 -0.00175487 0.00111524 15
4312 84 C 11.1966 18.3869 11.8098 0.00202274 -0.00134345 -0.00174891 15
4313 85 C 11.9217 18.6974 10.4701 0.000552079 -0.00231791 0.000177691 15
4314 86 C 10.9341 18.3687 9.31577 -0.00527845 -0.000195586 0.000291393 15
4315 87 C 11.5376 18.6179 7.92964 5.84325e-05 -0.00187135 0.00190531 15
4316 88 C 10.5318 18.4471 6.81575 0.00275632 0.000293087 -0.00313159 15
4317 89 C 11.128 18.472 5.39308 0.00528927 -0.00148903 0.00458001 15
4318 90 C 9.99645 18.6111 4.37401 0.00222982 2.50722e-05 -0.000358394 15
4319 91 C 10.328 18.1509 2.93115 0.00151817 0.00189358 0.00325279 15
4320 92 C 11.4734 18.948 2.29758 -0.000531094 0.00208524 -0.00355446 15
4321 93 C 11.8748 18.4538 0.912659 0.000856071 0.00171112 -0.00580875 15
4322 94 C 3.28482 17.2082 33.0628 -0.00319966 -0.00327693 -0.000309223 15
4323 95 C 3.06695 17.1754 34.5977 0.00356245 0.000733827 0.000185851 15
4324 96 C 1.56973 17.2224 35.0596 -0.00145744 0.00293826 0.00163093 15
4325 97 C 1.32967 16.7108 36.4427 -0.00166981 0.0023565 0.00181485 15
4326 98 C 2.07163 17.3698 37.6122 0.00301776 0.00104803 0.000658074 15
4327 99 C 1.80477 16.5958 38.9041 -0.00325017 -0.00159877 0.00138496 15
4328 100 C 2.13901 17.4056 40.1811 0.00389025 -0.00293068 0.00456459 15
4329 101 C 2.14089 16.519 41.4289 -0.00359841 -0.00138749 -0.00130667 15
4330 102 C 2.19886 17.3106 42.7843 0.000325359 0.00174801 -0.00248716 15
4331 103 C 2.29863 16.3778 43.9882 -0.00462597 0.00407688 0.000884402 15
4332 104 C 2.48805 17.1676 45.2692 -8.07277e-05 0.000977878 0.00332151 15
4333 105 C 2.97847 16.2477 46.4336 0.00053841 -0.000816784 0.0050569 15
4334 106 C 9.40955 20.5996 33.7727 0.00257811 0.00227265 -0.00488159 15
4335 107 C 9.59523 20.5297 35.2757 0.00203658 0.00117611 0.000543597 15
4336 108 C 10.0652 21.8997 35.8298 0.00140705 -0.00175152 -0.00198736 15
4337 109 C 9.69969 22.2335 37.3087 -0.00120376 0.0027132 -0.00202017 15
4338 110 C 10.3927 21.3745 38.4066 -0.00204041 -0.00286029 0.000807747 15
4339 111 C 10.3764 22.2025 39.7058 0.00341897 0.00256495 0.00133969 15
4340 112 C 9.03582 22.2492 40.4877 -0.00017124 -0.000463043 0.000550349 15
4341 113 C 8.66658 21.0169 41.3107 -0.00251211 -0.00155297 0.0004136 15
4342 114 C 9.60044 20.6479 42.4557 -0.00250246 -0.000675401 -0.00284805 15
4343 115 C 9.78102 21.7227 43.6032 0.00402709 -0.00111724 -0.0041966 15
4344 116 C 10.4601 21.1228 44.8333 0.00314712 0.00173849 0.00373567 15
4345 117 C 9.50293 20.5681 45.859 0.0029046 -0.00188654 0.00140469 15
4346 118 C 9.44836 13.4885 34.1493 0.00219194 -0.000552703 0.00169595 15
4347 119 C 8.82724 13.4327 35.5907 -0.000413205 0.00158749 0.00136039 15
4348 120 C 9.72826 12.745 36.6236 -0.00138296 0.00671282 -0.00329388 15
4349 121 C 9.1717 12.825 38.0332 0.000549251 0.00114777 0.00302896 15
4350 122 C 10.2194 12.6698 39.1446 -0.000137595 0.000479867 -0.000966776 15
4351 123 C 9.6341 12.6905 40.5305 -0.00373173 -0.00383903 0.00363301 15
4352 124 C 10.6296 12.3522 41.6347 -0.00533528 0.00149682 -0.000533898 15
4353 125 C 9.93008 12.4324 42.9331 0.000836346 0.000311212 -0.00230502 15
4354 126 C 10.7227 11.9536 44.1379 0.00273583 -0.00277096 0.00109399 15
4355 127 C 9.93326 12.105 45.4505 0.0038006 1.33899e-05 0.00249794 15
4356 128 C 10.54 11.5242 46.7548 0.00047534 0.00150188 -0.00122148 15
4357 129 C 11.8874 12.0971 47.2665 -0.00241263 -0.001667 0.00046512 15
4358 130 F 9.95992 14.2995 25.3678 0.00302912 0.00139032 -0.00193572 15
4359 131 H 10.0812 21.0183 31.4104 -0.00376345 0.0161432 -0.0165708 15
4360 132 H 10.2689 20.8392 28.9938 -0.0104512 0.013189 0.00302376 15
4361 133 H 9.26242 18.967 27.8018 0.00416484 0.00292471 0.0027679 15
4362 134 H 2.90989 16.9906 30.6121 4.91199e-05 0.0117593 0.000709805 15
4363 135 H 3.34291 16.7403 28.2892 -0.00744608 0.00143085 -0.000316568 15
4364 136 H 5.67582 16.6584 27.3897 -7.24053e-05 -0.00871709 -0.00161402 15
4365 137 H 10.1049 12.6571 31.8417 -0.00333297 -0.00367461 -0.00659531 15
4366 138 H 10.3595 12.6862 29.4227 -0.000625592 0.000750512 0.000564612 15
4367 139 H 9.43002 14.4436 28.0789 -0.00366308 -0.0182332 0.000392754 15
4368 140 H 11.0055 18.9732 23.2025 0.00719459 -0.000912504 -0.00532804 15
4369 141 H 9.445 18.7882 25.1031 0.00487975 -0.00462827 0.00519633 15
4370 142 H 10.7419 12.9277 19.0544 -0.00229347 0.000145806 -0.00176345 15
4371 143 H 11.1301 12.8775 16.5928 0.0141584 0.00529 -0.010965 15
4372 144 H 11.5338 14.7538 20.378 0.00525251 0.0071124 -0.00355126 15
4373 145 H 17.7782 16.9251 19.4718 -0.00647639 0.00821006 0.00960709 15
4374 146 H 17.8348 17.2085 17.0329 0.000897799 -0.00764735 -0.000324006 15
4375 147 H 15.5109 16.918 20.6728 0.00773388 0.0143724 -0.000154524 15
4376 148 H 10.1776 21.0891 19.206 8.44004e-05 -0.00504205 -0.00196233 15
4377 149 H 10.5583 21.2102 16.7367 0.0140763 0.0109095 0.00119447 15
4378 150 H 13.1168 17.2916 15.6543 -0.00119501 0.00654897 0.00481748 15
4379 151 H 11.1778 19.1806 20.4923 0.00334806 -0.0106833 -0.00214759 15
4380 152 H 7.42661 16.8207 32.7035 -0.00817543 -0.0148207 -0.0019994 15
4381 153 H 16.2785 15.8184 14.5208 0.00996267 0.00317033 -0.00733373 15
4382 154 H 14.5469 16.2718 14.4134 0.00231939 -0.00207403 -0.012357 15
4383 155 H 16.7921 17.3541 12.8132 -0.000817983 0.0160678 0.00719766 15
4384 156 H 15.2657 18.3044 13.1013 -0.0185147 -0.0064575 -0.0168719 15
4385 157 H 13.9234 16.6642 11.9152 0.00188877 -0.0039406 -0.00323228 15
4386 158 H 15.2487 15.4864 12.0124 0.0029436 0.00174816 0.0139052 15
4387 159 H 16.5268 16.7673 10.2736 -0.00121971 -0.0121699 -0.00912067 15
4388 160 H 15.2621 17.9563 10.1366 -0.00512944 0.000844533 -0.00755189 15
4389 161 H 13.6237 16.4083 9.31128 -0.00472268 -0.00934631 -0.0044351 15
4390 162 H 14.5826 15.0359 9.80875 0.00640472 -3.25012e-05 -0.00881914 15
4391 163 H 14.5847 15.2553 7.34688 -0.00229731 0.00176313 -0.00107672 15
4392 164 H 16.2725 15.3982 8.0525 -6.71146e-05 0.00761523 0.0103262 15
4393 165 H 16.3792 17.6648 7.7181 -0.0024636 0.00933036 -0.00250426 15
4394 166 H 14.7019 17.8929 7.46015 -8.09508e-05 -0.000591526 -0.00725759 15
4395 167 H 16.2881 16.0423 5.55718 -0.000277108 0.00139079 -0.0110272 15
4396 168 H 16.435 17.8054 5.41559 -0.00477218 0.00671247 0.000503274 15
4397 169 H 14.0126 18.0561 4.97723 -0.0163883 -0.00639973 0.00696039 15
4398 170 H 13.7205 16.4078 5.31695 -0.00300557 0.00481151 -0.00183875 15
4399 171 H 13.7812 16.5191 2.93926 0.00910614 -0.0227574 -0.00892106 15
4400 172 H 15.4031 15.9141 3.27753 0.00804807 0.00549919 -0.00533257 15
4401 173 H 16.4636 18.0181 2.96842 0.00051644 0.00835505 0.00289041 15
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4403 175 H 15.997 16.631 0.969869 -0.00579411 0.00141303 -0.011686 15
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4405 177 H 14.4937 17.4774 0.736548 -0.00594253 0.0102831 0.00834278 15
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4408 180 H 13.3408 14.5657 12.8684 -0.00262709 -0.0109437 -0.0180923 15
4409 181 H 14.7194 14.1089 13.8444 0.00273653 0.00263914 -0.015331 15
4410 182 H 14.8582 11.8933 13.1565 0.00697679 0.015485 0.00757389 15
4411 183 H 13.1886 11.7885 12.7402 -0.00512592 0.00554117 0.00954712 15
4412 184 H 13.5427 13.1537 10.6778 -0.0064103 -0.00605922 0.00888219 15
4413 185 H 15.2142 13.4695 11.1155 0.00205331 -0.0024634 -0.00512186 15
4414 186 H 15.4378 10.8495 11.0213 0.00246911 0.00362826 0.0015579 15
4415 187 H 13.8371 10.8695 10.2367 0.00400517 -0.00470816 -0.00597714 15
4416 188 H 16.2452 12.4994 9.28713 0.00357073 0.00748118 -0.00680033 15
4417 189 H 16.0081 10.8299 8.73628 0.00460054 0.00597741 0.00486131 15
4418 190 H 13.7229 11.4838 7.77559 0.000561884 0.00653698 -0.0076344 15
4419 191 H 13.9942 13.1465 8.29785 0.000818826 -0.00143891 0.0101114 15
4420 192 H 16.0522 13.2547 6.84144 0.00820967 -0.00768264 0.00343699 15
4421 193 H 15.9586 11.5352 6.51229 -0.00164588 -6.02781e-05 0.00403329 15
4422 194 H 13.9297 11.8278 5.25162 -0.0112701 0.00565859 0.00247995 15
4423 195 H 13.8926 13.5975 5.57103 0.00830724 0.00531135 0.0106641 15
4424 196 H 16.1718 13.8075 4.6119 -0.000119982 0.00112911 0.00254284 15
4425 197 H 16.0405 12.0592 4.14405 0.0107279 0.00632433 0.000241955 15
4426 198 H 14.0527 14.1554 3.24302 -0.00321405 -0.0114782 0.0123746 15
4427 199 H 15.5168 13.8537 2.24262 0.00333698 0.000235413 0.00157633 15
4428 200 H 13.4841 11.6825 3.03257 -0.00415167 0.00727957 0.00287641 15
4429 201 H 13.5789 12.5028 1.43079 0.0100734 -0.00111143 -0.0067621 15
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4431 203 H 11.1017 17.8765 14.7457 0.0156898 -0.000851605 0.0144364 15
4432 204 H 10.3125 19.4315 14.2625 -0.0139859 -0.0168551 0.00532063 15
4433 205 H 12.5152 19.7681 12.851 0.00584827 -0.000763455 0.026007 15
4434 206 H 12.8498 18.0345 13.1013 0.00064831 0.000492508 -0.0122303 15
4435 207 H 10.9747 17.3136 11.8562 -0.00966109 0.00103513 -0.00302032 15
4436 208 H 10.2839 18.9955 11.8054 0.00600752 0.00461641 -0.00762544 15
4437 209 H 12.1868 19.756 10.3585 0.025374 -0.00985377 -0.0124965 15
4438 210 H 12.8252 18.091 10.3304 -0.00673858 -0.0165984 0.0150931 15
4439 211 H 10.5726 17.3372 9.4096 -0.0159724 0.00303262 -0.00540025 15
4440 212 H 10.087 19.0618 9.38941 -0.00997002 -0.00523692 -0.00630745 15
4441 213 H 11.8896 19.6552 7.87074 0.00374986 -0.00377189 -0.00945987 15
4442 214 H 12.3678 17.9228 7.75336 0.00270041 0.00153818 0.000916949 15
4443 215 H 10.0645 17.4644 6.95518 -0.00406973 0.00623029 0.0158046 15
4444 216 H 9.72801 19.1923 6.86029 -0.0021682 -0.00550998 0.00486635 15
4445 217 H 11.8322 19.3067 5.28881 0.00255635 0.000880468 0.0050854 15
4446 218 H 11.6506 17.5325 5.17499 0.00264923 -0.00252442 0.00269711 15
4447 219 H 9.14331 18.0603 4.78896 -0.00344002 0.00576371 -0.00444844 15
4448 220 H 9.77706 19.6825 4.28772 -0.00701615 -0.00188243 -0.00032073 15
4449 221 H 10.6641 17.1067 2.93214 -0.0107549 -0.00205827 -0.00625533 15
4450 222 H 9.44034 18.1911 2.2879 -0.00368549 -0.00295409 0.010124 15
4451 223 H 11.1832 20.0045 2.35056 -0.00502394 -7.43708e-05 0.0160325 15
4452 224 H 12.3634 18.8416 2.93005 -0.000395494 -0.000287244 -0.00414448 15
4453 225 H 12.1512 17.3922 0.914387 -0.0164828 -0.00271013 0.0177285 15
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4456 228 H 2.87898 18.1566 32.6897 -0.00585587 -0.00143291 0.00724806 15
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4459 231 H 3.56473 18.0038 35.1167 0.000833614 0.00174166 0.00120614 15
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4461 233 H 0.995487 16.6249 34.3408 -0.0110672 0.00572882 0.00701579 15
4462 234 H 0.252012 16.8364 36.6048 -0.00100716 -0.00541064 0.0121853 15
4463 235 H 1.51636 15.63 36.4245 0.00969886 0.0043571 9.05206e-05 15
4464 236 H 3.14474 17.3267 37.3886 0.00292566 -0.00245437 0.000896166 15
4465 237 H 1.85924 18.4458 37.6361 -0.00428757 -0.000179622 -0.00879281 15
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4468 240 H 3.07978 17.9582 40.0668 0.0116175 -0.016402 0.00303824 15
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4470 242 H 1.29857 15.8162 41.4231 0.0026789 -0.00896782 0.00274742 15
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4475 247 H 3.21094 15.8024 43.7884 -0.00450317 0.00457369 5.02576e-06 15
4476 248 H 3.25995 17.9274 45.0949 -0.00160001 0.000468001 -0.00563854 15
4477 249 H 1.55727 17.6378 45.6098 0.00667925 0.00690615 0.0136708 15
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4481 253 H 10.3642 20.9866 33.3953 0.0018561 0.0117294 0.00294168 15
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4483 255 H 8.67586 20.2666 35.8132 0.00477104 0.00487451 0.00704521 15
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4485 257 H 11.1609 21.9521 35.8234 0.00137245 -4.72395e-05 0.00422302 15
4486 258 H 9.76804 22.6803 35.1186 0.00433396 -0.00720874 -0.0092257 15
4487 259 H 10.0452 23.27 37.4072 -0.00302297 0.00308866 0.000349152 15
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4489 261 H 9.92195 20.3934 38.5451 0.00674579 -0.00874145 -0.0108794 15
4490 262 H 11.4536 21.1988 38.1897 0.000291748 -0.00118058 0.0107747 15
4491 263 H 11.1059 21.7731 40.4035 -0.0093011 -0.0179096 0.00204727 15
4492 264 H 10.7337 23.218 39.4948 0.00192071 0.00179952 -0.00487172 15
4493 265 H 9.01095 23.13 41.141 0.00131215 -0.00362147 0.00485777 15
4494 266 H 8.25397 22.42 39.7374 0.0132425 -0.000919032 -0.0135656 15
4495 267 H 7.67973 21.1362 41.7747 -0.0107542 -0.00891373 -0.0152629 15
4496 268 H 8.66103 20.1429 40.6477 -0.0106209 -0.00632675 0.00678577 15
4497 269 H 9.24758 19.6997 42.8798 0.0138532 0.000699679 0.0138646 15
4498 270 H 10.5972 20.421 42.0578 -0.00566184 -0.00598818 -0.00771674 15
4499 271 H 10.4156 22.5423 43.2441 -0.000873291 0.00623285 0.0038933 15
4500 272 H 8.81545 22.1886 43.8357 0.000506213 -0.0045929 -0.011809 15
4501 273 H 11.1229 20.2986 44.5421 -0.00245271 -0.00560963 0.011719 15
4502 274 H 11.0626 21.8453 45.3975 0.00137661 0.00893372 -0.00363015 15
4503 275 H 8.80573 21.311 46.2657 0.0047213 -0.00514671 0.0104622 15
4504 276 H 8.89985 19.7751 45.3999 0.0020322 -0.00432753 0.00676286 15
4505 277 H 10.0865 20.078 46.6481 0.0162028 0.0104781 -0.00074146 15
4506 278 H 9.36894 12.4623 33.7696 0.00545951 0.000512804 -0.00184992 15
4507 279 H 10.514 13.7427 34.2063 0.0026259 -0.00309963 0.00497167 15
4508 280 H 7.85707 12.9233 35.5382 0.00460713 -0.00821969 0.00357124 15
4509 281 H 8.70594 14.4717 35.9211 -0.00960459 0.00455752 -0.0113305 15
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4515 287 H 10.8336 11.7858 38.9331 0.00837382 0.00362264 0.0106393 15
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4517 289 H 9.17278 13.6747 40.6785 0.00284945 -0.00134395 0.00751168 15
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4519 291 H 11.0868 11.379 41.4172 -0.00172707 0.00162303 0.00651225 15
4520 292 H 9.0377 11.7974 42.9955 0.00530169 -0.00492644 0.00912167 15
4521 293 H 9.59643 13.4658 43.0886 -0.000622452 0.00186263 -0.0157643 15
4522 294 H 11.6913 12.4677 44.168 0.00507701 -0.00646702 -0.0104744 15
4523 295 H 10.947 10.905 43.9064 0.0125865 0.00133258 -0.00807327 15
4524 296 H 8.92438 11.7124 45.2731 0.00919896 -0.0116561 -0.00239499 15
4525 297 H 9.86332 13.1897 45.5983 0.0100001 -0.00121038 0.0144501 15
4526 298 H 10.748 10.4479 46.7116 -0.00196209 0.00110446 -0.00280779 15
4527 299 H 9.78724 11.6361 47.5449 0.0154585 0.00218341 0.012962 15
4528 300 H 12.6761 12.0095 46.5091 -0.00442346 -0.00745553 -0.000944882 15
4529 301 H 12.2367 11.6103 48.1855 0.00363276 0.0005493 -0.000656715 15
4530 302 H 11.8304 13.1842 47.4021 0.00192842 -0.000167396 -0.00955067 15
4531 1 C 13.5175 26.9661 31.4623 0.00337883 0.00230806 -0.000396421 16
4532 2 C 13.6869 26.8409 30.0968 0.00121311 0.00560738 -0.000603152 16
4533 3 C 13.146 25.7777 29.4011 0.00174103 -0.00475154 -0.00134294 16
4534 4 C 12.5646 24.7011 30.1357 0.0019795 0.00239567 -0.00189673 16
4535 5 C 12.3935 24.7741 31.5475 -0.00431369 0.000772632 -0.0024446 16
4536 6 C 12.8296 25.9606 32.2232 -0.00372565 0.00142034 0.00109996 16
4537 7 C 7.89436 23.7214 30.8709 -0.00371023 0.000751327 -0.00266685 16
4538 8 C 8.13879 23.5637 29.5313 -0.000212814 0.00382631 0.00118821 16
4539 9 C 9.42118 23.4541 29.0412 -0.00105947 -0.00248827 -0.00131042 16
4540 10 C 10.5134 23.5162 29.9074 0.000552321 0.00364179 -0.00236723 16
4541 11 C 10.3076 23.543 31.3014 -0.00540452 -0.0014216 -0.0011095 16
4542 12 C 8.99027 23.692 31.7878 -0.00456876 -0.00328601 -0.00265149 16
4543 13 C 13.6102 20.1632 31.7245 0.00547663 0.00621966 0.00141027 16
4544 14 C 13.7785 20.1396 30.3428 -0.00370114 -0.00156908 -0.00373077 16
4545 15 C 13.2434 21.1739 29.5813 -0.00115054 0.000987391 0.00126825 16
4546 16 C 12.5621 22.2182 30.2111 -0.0020905 0.00181561 0.000802754 16
4547 17 C 11.9618 23.4546 29.4716 0.00470898 -0.00016334 -0.00154128 16
4548 18 O 12.7708 21.0697 33.7686 0.00239291 -0.00305732 -0.00127831 16
4549 19 O 8.75549 23.8941 33.1578 0.00296241 0.00256238 -0.0022066 16
4550 20 O 12.668 26.1804 33.5955 -0.00231463 0.0015555 0.00321754 16
4551 21 C 12.8842 21.1475 32.3956 0.000913137 0.00281695 -0.00459213 16
4552 22 C 12.2918 23.4039 28.0142 -0.00171801 0.00468022 -0.000459712 16
4553 23 C 12.7957 23.4265 26.9181 -0.000648932 -0.000726958 0.00241561 16
4554 24 C 13.5829 23.4644 25.723 -0.000241937 0.00145377 -0.00318786 16
4555 25 C 14.3101 22.3482 25.2156 0.000708295 0.00381633 0.000201419 16
4556 26 C 14.9928 22.4572 23.9882 0.00191968 0.0025569 0.00564071 16
4557 27 C 15.1593 23.6899 23.3408 0.00243849 -0.00431783 -0.00090734 16
4558 28 C 14.4628 24.8061 23.8464 -0.00169621 -0.00250711 -0.00321176 16
4559 29 C 13.712 24.6833 25.0581 0.00271976 0.0016904 -0.000963631 16
4560 30 C 15.8552 23.7193 22.0765 0.000725108 0.0036127 -0.000658249 16
4561 31 C 16.348 23.7973 20.9749 0.00382056 -0.000304143 0.00308685 16
4562 32 C 15.0251 20.5031 18.4082 -0.00455124 -0.00150576 -0.00168442 16
4563 33 C 15.0925 20.6456 17.0305 0.00271267 0.00177293 -0.00371759 16
4564 34 C 15.674 21.8061 16.4992 -0.00403201 -0.00444245 -0.00198222 16
4565 35 C 16.247 22.7741 17.3703 0.000669889 0.000419845 5.3244e-05 16
4566 36 C 16.0862 22.6567 18.7617 0.000383302 -0.00127468 -0.000880949 16
4567 37 C 15.4034 21.5488 19.2522 -0.000489056 -0.000295986 -3.11021e-05 16
4568 38 C 16.6559 23.8544 19.5649 6.91205e-05 0.00181153 -0.000959128 16
4569 39 C 20.5349 24.0781 19.3707 0.00274206 -0.00249354 -0.00296712 16
4570 40 C 20.6862 24.0705 17.9597 -0.000687135 0.000191473 0.000214176 16
4571 41 C 19.6153 23.8989 17.0958 -0.0015452 -0.00131967 0.000306211 16
4572 42 C 18.3276 23.8514 17.6989 0.00513643 0.0005221 -0.00196062 16
4573 43 C 18.1417 23.8969 19.0974 -0.000750922 -0.00356131 0.0022043 16
4574 44 C 19.2625 23.9656 19.9683 -0.00152656 -0.00265517 -0.00232879 16
4575 45 C 15.0501 27.345 18.8084 -0.00335307 0.0047211 7.82194e-05 16
4576 46 C 15.3431 27.4213 17.4623 -0.00277639 0.00143579 0.00136556 16
4577 47 C 15.9973 26.3977 16.8139 -0.00434873 -0.00206373 -0.00228073 16
4578 48 C 16.3405 25.2176 17.5091 -0.00215937 -0.00150101 -0.00267343 16
4579 49 C 17.0136 23.9601 16.9034 0.000248725 0.00168706 0.00166976 16
4580 50 C 16.1152 25.1396 18.9043 -0.000519957 -0.00456111 -0.00131604 16
4581 51 C 15.5035 26.2303 19.5357 0.00204153 -0.000756808 0.0024486 16
4582 52 O 19.781 23.9134 15.731 -0.00132626 0.00223968 0.00103234 16
4583 53 O 15.6956 21.982 15.1181 0.00184857 -0.00254463 -0.00318661 16
4584 54 O 16.2838 26.4245 15.4461 0.0042984 0.00170209 0.000329749 16
4585 55 C 11.6505 23.5433 32.1357 -0.000490529 -0.000180729 0.00118147 16
4586 56 C 12.391 22.2383 31.643 -0.00322375 -0.000547038 -0.000351325 16
4587 57 C 19.5502 22.7228 14.9606 0.00193194 -0.00164542 -0.00223511 16
4588 58 C 18.6439 23.0779 13.7574 0.000152486 -0.00139563 0.00213994 16
4589 59 C 19.3414 23.183 12.3653 0.00506248 -0.002332 -0.00162634 16
4590 60 C 18.4308 23.3151 11.1536 0.0039745 0.000383537 0.0032378 16
4591 61 C 19.1927 23.5189 9.81392 -0.00253424 -0.00181644 0.000129339 16
4592 62 C 18.2762 23.4847 8.57484 -0.00373126 0.00252805 -0.00231811 16
4593 63 C 19.0112 23.7859 7.24103 0.000756853 -0.0013423 0.000840784 16
4594 64 C 18.1153 23.6624 6.00956 0.00113153 -0.00224071 -0.00174046 16
4595 65 C 18.7508 24.0517 4.67718 0.0049497 -0.00353613 -0.00654836 16
4596 66 C 17.876 23.7332 3.43582 0.000144075 -0.00414419 0.00209974 16
4597 67 C 18.342 24.3515 2.06478 -0.00337089 -0.00125884 0.00308058 16
4598 68 C 19.6984 23.8419 1.53327 -0.00199855 -0.00221107 -0.00151216 16
4599 69 F 15.5896 21.3345 23.5013 0.00377767 0.000346272 -0.00181527 16
4600 70 C 15.2235 21.082 14.1026 -0.00174102 -0.000774415 0.00137902 16
4601 71 C 15.2126 21.8267 12.7296 0.00177261 0.00112089 -0.000637549 16
4602 72 C 15.164 20.8842 11.4737 -0.00167489 0.00227958 -0.00531469 16
4603 73 C 14.984 21.6993 10.1486 0.00016296 -0.000172358 0.00213456 16
4604 74 C 14.8023 20.8012 8.89706 -0.000511646 -0.00269827 -0.00117435 16
4605 75 C 14.9152 21.5408 7.54021 0.00048251 -0.00353147 0.00155187 16
4606 76 C 14.992 20.4623 6.42034 0.000557991 -0.00414156 0.00278494 16
4607 77 C 15.3854 21.0171 5.05102 0.000453254 -0.000871736 0.000168106 16
4608 78 C 14.4347 22.0561 4.48068 -0.00129375 -0.00119049 0.00115337 16
4609 79 C 14.051 21.7242 3.01045 -0.00098824 -0.0077966 -0.000184027 16
4610 80 C 15.2068 21.7612 2.01262 0.00311229 -0.000874738 0.00260998 16
4611 81 C 14.7615 21.2991 0.616974 0.00130181 0.000500112 0.00207916 16
4612 82 C 17.6821 26.6068 15.1619 -0.00232682 -0.00126474 -0.000433804 16
4613 83 C 17.9196 26.619 13.6416 -0.00278788 -0.00634577 -0.00439573 16
4614 84 C 17.7431 28.0431 13.1427 -0.00097435 -0.00287854 0.00387487 16
4615 85 C 18.491 28.3713 11.8519 -0.00325934 -0.000667344 -0.00165711 16
4616 86 C 18.0218 27.5831 10.6068 -0.0037097 0.00113404 0.000440318 16
4617 87 C 18.687 28.1949 9.33295 0.00492008 -0.000911425 0.00298911 16
4618 88 C 17.9672 27.6114 8.06915 0.00152498 -0.00286316 0.00405277 16
4619 89 C 18.5344 28.2313 6.77808 -0.00018835 0.000318045 -0.00270776 16
4620 90 C 17.6895 27.6638 5.61918 0.00201048 0.00095956 0.00138459 16
4621 91 C 18.2279 28.0294 4.21405 0.00188745 0.00292785 0.00327675 16
4622 92 C 17.0664 27.723 3.20898 0.00112554 -0.00327357 0.000443931 16
4623 93 C 17.3559 27.973 1.72273 0.00359637 -0.00217847 -0.0004373 16
4624 94 C 7.40943 23.7731 33.6518 -0.0010513 -0.0020992 -0.0011843 16
4625 95 C 7.16658 23.9944 35.1712 -0.00411099 -0.00382209 -0.00189692 16
4626 96 C 5.76023 23.5598 35.6109 -0.00141171 0.00109458 0.000342245 16
4627 97 C 5.26041 24.1746 36.8971 0.00213983 0.00216758 0.00349959 16
4628 98 C 5.90592 23.609 38.2396 0.00360714 -0.00411737 -0.00121706 16
4629 99 C 5.28036 24.4222 39.3932 0.00384749 6.62554e-05 0.00130906 16
4630 100 C 6.13119 24.5506 40.6758 7.74266e-05 0.00195044 0.00456153 16
4631 101 C 5.79362 23.5744 41.8219 0.00117701 -0.00166099 0.00153716 16
4632 102 C 6.55142 24.0077 43.1 -0.00245042 0.000471573 0.00149563 16
4633 103 C 6.05729 23.2353 44.3399 0.00574866 -0.00259946 -0.000565823 16
4634 104 C 6.76245 23.5879 45.626 -0.0057555 0.00014012 -0.00117203 16
4635 105 C 6.08296 22.8397 46.7744 0.00399521 -0.00222172 0.00100296 16
4636 106 C 13.3161 27.2688 34.2929 -0.000151028 -0.000150092 0.00151984 16
4637 107 C 13.2504 27.2283 35.8333 0.000371384 -0.000406599 -0.00402236 16
4638 108 C 13.9998 28.3976 36.5485 -0.00100381 0.00126008 0.000174358 16
4639 109 C 14.4023 28.1014 38.0272 0.00129213 -0.00022532 -0.00280584 16
4640 110 C 13.1847 28.0957 38.9327 -0.002907 0.00339654 -0.00192666 16
4641 111 C 13.4965 27.6735 40.3505 0.00132478 0.00219906 0.00232189 16
4642 112 C 14.2369 28.7525 41.1366 0.00339825 0.00200033 -0.00119085 16
4643 113 C 14.2635 28.3463 42.6659 -0.000269083 -0.00224725 -0.00511179 16
4644 114 C 14.4039 29.5624 43.5948 0.000677143 -0.00266392 0.00117408 16
4645 115 C 14.3781 29.1664 45.0762 0.00161175 -0.00265432 -0.00151349 16
4646 116 C 13.2501 28.1686 45.4511 0.00482627 -0.000650251 2.00401e-05 16
4647 117 C 13.1131 27.9044 46.9762 -0.00140022 0.00393423 0.000179686 16
4648 118 C 13.3279 19.9288 34.4809 0.0028296 -0.000464689 0.000626132 16
4649 119 C 13.332 20.1221 36.0142 -0.00387922 0.00104593 0.00419815 16
4650 120 C 14.0067 19.0123 36.8534 0.000263484 -0.000736926 0.0051004 16
4651 121 C 14.1146 19.4339 38.3556 0.00256752 0.00028699 -0.00321234 16
4652 122 C 14.4024 18.3103 39.3432 0.00227658 -0.00312785 -0.0042101 16
4653 123 C 14.8487 18.7679 40.7301 -0.00487347 -0.00115396 0.00380985 16
4654 124 C 13.8123 19.6964 41.4054 -0.000205422 -0.000776636 -0.00168428 16
4655 125 C 14.1672 20.1001 42.8403 -0.00157332 0.00292685 0.000176822 16
4656 126 C 14.0759 18.9909 43.8806 -0.00215301 0.0011932 -0.000449447 16
4657 127 C 14.489 19.5065 45.2788 0.00141726 0.000693275 -0.000107671 16
4658 128 C 13.9967 18.7464 46.5543 -0.00028933 -0.000785859 0.00105284 16
4659 129 C 12.5152 18.9463 46.7568 0.000962604 -0.000194322 -0.00347275 16
4660 130 F 14.2467 21.1405 25.863 0.0021702 0.00144769 -0.000540332 16
4661 131 H 13.903 27.889 31.8855 0.000729323 0.00302453 0.000450459 16
4662 132 H 14.1732 27.6113 29.5058 -0.00558867 0.00239518 -0.0104227 16
4663 133 H 13.2814 25.709 28.3257 -0.00367921 -0.00155541 -0.00222166 16
4664 134 H 6.85642 23.8358 31.1692 -0.00448297 -0.00346395 -0.0037423 16
4665 135 H 7.30242 23.5456 28.8388 -0.00467766 -0.00567484 0.0068309 16
4666 136 H 9.60979 23.3113 27.9813 -0.0120543 0.0024564 -0.00390972 16
4667 137 H 14.025 19.3027 32.2412 -0.0101609 -0.000472981 0.00282741 16
4668 138 H 14.2544 19.3573 29.7588 -0.00641381 -0.00401802 -0.0026551 16
4669 139 H 13.3465 21.1416 28.5007 0.00594431 -0.0138604 0.00240016 16
4670 140 H 14.4918 25.8101 23.4333 0.00079996 0.00092269 0.0052161 16
4671 141 H 13.1381 25.5315 25.4194 -0.000511232 -0.0113337 0.0244568 16
4672 142 H 14.5193 19.6607 18.8707 -0.00447245 0.00205988 0.004914 16
4673 143 H 14.6824 19.877 16.3821 -0.00203846 0.0118753 -0.0126934 16
4674 144 H 15.2582 21.4492 20.3238 -0.00338478 0.00126867 -0.000279377 16
4675 145 H 21.4161 24.1448 20.002 0.00485648 -0.00585241 -0.00555956 16
4676 146 H 21.6416 24.1685 17.4526 -0.00267754 -0.00531859 -0.00463958 16
4677 147 H 19.1426 23.9932 21.0473 0.00508344 -0.0058128 -0.0015164 16
4678 148 H 14.5641 28.1713 19.3186 -0.00408277 -0.000475411 0.00779879 16
4679 149 H 15.054 28.2675 16.846 -0.00237263 -0.00370947 -0.005932 16
4680 150 H 17.0538 23.9816 15.8073 0.00157815 -0.0204484 0.00128846 16
4681 151 H 15.3003 26.2237 20.6025 -0.0162647 -0.00363064 -0.00104341 16
4682 152 H 11.4922 23.5878 33.2203 0.00113305 0.00230536 0.00131525 16
4683 153 H 20.4869 22.2763 14.6048 -0.0029234 -0.00147452 -0.0152878 16
4684 154 H 19.0116 22.0144 15.6021 -0.00937229 0.0120605 0.0034418 16
4685 155 H 18.1337 24.0244 13.975 0.00940806 0.00431152 -0.00097757 16
4686 156 H 17.8438 22.3311 13.6833 0.00709354 -0.00888859 0.00288774 16
4687 157 H 19.9524 22.2847 12.2131 0.00827845 0.000583355 -0.00593643 16
4688 158 H 20.0711 24.0021 12.3683 0.00116892 0.00110755 0.00742809 16
4689 159 H 17.6749 24.0922 11.3212 0.00993925 0.00820966 -0.00623698 16
4690 160 H 17.8772 22.3719 11.0682 0.0150422 -0.00631765 0.00547049 16
4691 161 H 19.9367 22.7218 9.69402 0.00653718 0.0056439 0.00681235 16
4692 162 H 19.7283 24.4748 9.86689 -0.0113171 0.00247281 0.01173 16
4693 163 H 17.48 24.225 8.72168 -0.0118059 -0.00672741 0.000512407 16
4694 164 H 17.8285 22.4832 8.57626 -0.00458015 0.00290329 0.00980648 16
4695 165 H 19.896 23.1472 7.12893 0.00573722 0.00581596 -0.000663668 16
4696 166 H 19.3323 24.8346 7.26411 0.0076082 -0.00317607 -0.0114576 16
4697 167 H 17.197 24.2342 6.19183 -0.00154624 -0.00723218 0.000457663 16
4698 168 H 17.8241 22.6052 5.97688 -0.00841176 -2.40634e-05 0.0112188 16
4699 169 H 19.7294 23.592 4.49163 0.00378889 -0.00474626 -0.00969205 16
4700 170 H 19.0497 25.1063 4.72037 0.00461081 -0.00405238 0.00847851 16
4701 171 H 16.8881 24.1545 3.65944 -6.4133e-06 -0.00627391 0.00544422 16
4702 172 H 17.755 22.6502 3.30976 0.0159172 -0.00448775 -0.0101605 16
4703 173 H 18.3365 25.4442 2.16169 -0.00115155 -0.00169523 0.00810775 16
4704 174 H 17.6025 24.0963 1.29569 -0.0037436 -0.000755077 0.00327267 16
4705 175 H 20.5105 23.9653 2.26038 -0.0115954 -0.00908569 0.010389 16
4706 176 H 19.9499 24.331 0.58409 0.00699661 -0.00602484 -0.00109932 16
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4709 179 H 14.2173 20.6819 14.2784 -0.00225468 0.000567787 0.00148112 16
4710 180 H 14.3378 22.4858 12.789 0.00487949 0.00592729 -0.00843614 16
4711 181 H 16.0581 22.519 12.6328 0.000182408 0.00192018 -0.00880964 16
4712 182 H 16.1143 20.3376 11.4342 -0.00559381 -0.00492134 -9.99801e-05 16
4713 183 H 14.4176 20.0865 11.5735 0.00343776 -0.00121576 0.00510957 16
4714 184 H 14.0836 22.3146 10.2666 0.00709585 0.0117921 -0.00740862 16
4715 185 H 15.7675 22.4449 9.96509 -0.00594077 0.00398516 -0.0072004 16
4716 186 H 15.4682 19.9297 8.92083 0.0071833 0.00324763 0.00023456 16
4717 187 H 13.818 20.3241 8.98088 0.00132794 -0.00596115 0.0019332 16
4718 188 H 14.093 22.2519 7.3927 0.00346261 0.000561688 0.00460484 16
4719 189 H 15.7973 22.1927 7.52433 0.00416265 -0.00865869 -0.00380263 16
4720 190 H 15.7662 19.7156 6.63601 -0.00135474 -0.0114409 -0.0154756 16
4721 191 H 14.0204 19.9599 6.33587 -0.00199226 0.00153543 -0.00173328 16
4722 192 H 16.3925 21.4496 5.09712 0.00152413 -0.00235704 -0.00938537 16
4723 193 H 15.4536 20.1632 4.36568 -0.0161052 0.0082296 -0.0128378 16
4724 194 H 13.5216 22.1882 5.07414 -0.00704306 -0.0163197 -0.00436831 16
4725 195 H 14.9274 23.0339 4.54899 -0.00995967 0.00253174 0.0106048 16
4726 196 H 13.5799 20.7336 3.02952 -0.010558 -0.00330396 -0.00419982 16
4727 197 H 13.3513 22.4945 2.66346 0.013529 0.00356026 -0.00435598 16
4728 198 H 15.5435 22.7959 1.87338 0.0119589 -0.00538109 -0.00958692 16
4729 199 H 16.0223 21.1511 2.41999 0.00575757 -0.00202662 -0.00445461 16
4730 200 H 15.4894 21.5358 -0.168925 0.00136782 0.00593687 0.003788 16
4731 201 H 14.619 20.2123 0.571675 -0.00564664 0.00175249 -0.00631132 16
4732 202 H 13.7997 21.7596 0.359585 -0.002618 -0.00216575 0.0119265 16
4733 203 H 17.9858 27.5614 15.609 0.0125623 -0.00668115 0.00094383 16
4734 204 H 18.2165 25.7603 15.6105 -0.00566926 -0.00638644 -0.00608875 16
4735 205 H 18.9413 26.3191 13.3778 0.00471468 0.0114959 0.0043798 16
4736 206 H 17.2628 25.9118 13.1202 -0.0037594 0.00259729 -0.0153069 16
4737 207 H 16.6794 28.3114 13.1432 0.00221061 0.00975584 -0.00505956 16
4738 208 H 18.2132 28.6679 13.9122 0.00936351 -0.00486949 -0.000827537 16
4739 209 H 18.3694 29.4453 11.6643 0.0178116 0.00203609 0.000191322 16
4740 210 H 19.56 28.1997 12.0282 -0.00408093 -0.00895822 -0.00474313 16
4741 211 H 18.2484 26.512 10.6771 -0.0210236 -0.00373059 -0.0171982 16
4742 212 H 16.9282 27.5637 10.5218 -0.00333162 -0.00580081 -0.00304792 16
4743 213 H 18.5685 29.2818 9.24349 -0.00145479 -0.00234171 -0.00632228 16
4744 214 H 19.7566 27.9577 9.38833 0.00572376 0.00456287 0.0109711 16
4745 215 H 18.0874 26.5211 8.08362 0.000683843 -0.00310836 -0.00831094 16
4746 216 H 16.8857 27.7954 8.07737 0.00251558 0.00283501 0.00610572 16
4747 217 H 18.4796 29.3251 6.84265 0.00115494 6.76529e-05 0.00278663 16
4748 218 H 19.5989 27.9995 6.6496 0.00172351 0.000109749 0.0135636 16
4749 219 H 17.5658 26.581 5.74368 -0.00650189 0.00251622 0.00652211 16
4750 220 H 16.691 28.1107 5.70062 -0.000227243 -0.00355 -0.00131821 16
4751 221 H 18.4705 29.0957 4.12714 -0.00226454 0.00459429 0.0122725 16
4752 222 H 19.1164 27.4468 3.94078 -0.0113645 -0.0132103 -0.00547411 16
4753 223 H 16.8072 26.6586 3.26723 -0.00387445 -0.00225539 -0.00308845 16
4754 224 H 16.1784 28.2863 3.52138 -0.00855006 -0.0128503 -0.00982784 16
4755 225 H 16.4542 27.8238 1.11615 -0.00713327 0.00327191 0.0141789 16
4756 226 H 17.8002 28.9572 1.52917 0.00268859 -0.0010495 0.00324837 16
4757 227 H 18.147 27.327 1.32234 -0.00345394 0.000668259 -0.0189943 16
4758 228 H 6.71747 24.3829 33.0579 -0.00291018 -0.00488617 -0.00189349 16
4759 229 H 7.07825 22.7421 33.476 -0.00125483 -0.000130804 -0.0122843 16
4760 230 H 7.8802 23.3708 35.7237 -0.0136521 0.0079941 0.0237238 16
4761 231 H 7.36672 25.0261 35.4857 0.00690627 -0.00930886 0.00915337 16
4762 232 H 5.06498 23.8236 34.8044 -0.000783343 -0.00535086 -0.00230899 16
4763 233 H 5.77942 22.4675 35.7104 0.00758415 0.000916722 -0.00311754 16
4764 234 H 5.34367 25.2661 36.8243 -0.0112063 0.00315259 0.0031052 16
4765 235 H 4.20459 23.8989 37.0095 0.00155512 0.0042642 0.00310186 16
4766 236 H 5.68247 22.5488 38.4112 -0.00564477 -0.00158817 0.00236198 16
4767 237 H 7.00008 23.6874 38.2473 0.00307779 0.00365693 -0.00596406 16
4768 238 H 5.17449 25.4549 39.0387 -0.000607284 -0.00193467 -0.00316271 16
4769 239 H 4.27199 24.0715 39.6454 0.00369521 -0.000350305 0.000117302 16
4770 240 H 7.2033 24.4695 40.4581 0.00255785 0.00422883 0.0158906 16
4771 241 H 5.95339 25.5536 41.0827 -0.00371797 0.00633436 -0.00792939 16
4772 242 H 4.72497 23.5344 42.0664 -0.000129284 0.00421922 -0.00328123 16
4773 243 H 6.06517 22.5455 41.5554 -0.00177883 -0.00394582 0.00732951 16
4774 244 H 7.62203 23.8543 42.9165 -0.00363702 -0.00952544 0.00300907 16
4775 245 H 6.48853 25.0948 43.2323 -0.00394494 -0.000148333 0.00580739 16
4776 246 H 4.98628 23.4017 44.5091 0.00731575 -0.00540777 0.0122195 16
4777 247 H 6.2039 22.1576 44.197 -0.0016079 -0.00422389 0.00411897 16
4778 248 H 7.83913 23.3981 45.5357 -0.00430747 -0.000448163 0.0175018 16
4779 249 H 6.70214 24.6702 45.7948 0.000406867 0.00238629 -0.0132936 16
4780 250 H 6.04042 21.7714 46.5285 0.00781794 -0.00229832 0.000645845 16
4781 251 H 6.76094 22.9617 47.6281 -0.00497602 0.00202456 0.00748719 16
4782 252 H 5.09053 23.2647 46.9688 0.00362648 -0.00253681 -0.000188185 16
4783 253 H 14.3758 27.2825 34.0096 -0.00313632 0.00930883 -0.00919181 16
4784 254 H 12.8859 28.244 34.0335 -0.0107504 -0.00724066 -0.00741371 16
4785 255 H 12.2215 27.1675 36.2087 0.00515213 0.00616062 0.0101965 16
4786 256 H 13.7606 26.2966 36.1073 0.000791106 -0.00306135 -0.0137867 16
4787 257 H 14.8849 28.6819 35.9662 -0.0115565 0.00222655 -0.0154083 16
4788 258 H 13.3649 29.2922 36.5384 0.00109492 0.00261515 -0.0122303 16
4789 259 H 14.9926 27.1779 38.0751 0.00765578 0.0041164 0.00281427 16
4790 260 H 15.1453 28.8356 38.3622 -0.00562443 0.00749963 -0.00447227 16
4791 261 H 12.7472 29.1012 38.9635 -0.00999498 -9.70549e-05 0.0115612 16
4792 262 H 12.4139 27.4629 38.4756 0.00443664 0.000155021 -0.00983956 16
4793 263 H 12.568 27.4642 40.896 0.00331577 0.00848768 0.00814314 16
4794 264 H 14.1307 26.7795 40.3076 -0.00343688 -0.00115374 0.00201859 16
4795 265 H 15.268 28.7839 40.7635 0.00880885 0.00439684 0.013957 16
4796 266 H 13.7038 29.703 41.0105 -5.83481e-05 0.00135878 0.00849262 16
4797 267 H 13.2954 27.8823 42.8917 0.00173671 0.00999955 0.0286663 16
4798 268 H 15.0211 27.6034 42.9444 0.00349963 0.00455615 0.00284434 16
4799 269 H 15.365 30.063 43.424 -0.00915266 0.020409 0.0136435 16
4800 270 H 13.5632 30.2302 43.3699 0.00155814 -0.00186437 0.000263662 16
4801 271 H 15.339 28.6905 45.3079 -0.00204552 -0.00252297 0.0139164 16
4802 272 H 14.321 30.0788 45.6825 -0.00467956 0.00692005 -0.0164998 16
4803 273 H 12.28 28.4675 45.0352 -0.0014374 -0.00397725 0.0122327 16
4804 274 H 13.4951 27.2192 44.9593 0.00627808 -0.000294582 5.51363e-05 16
4805 275 H 13.1399 26.8257 47.1736 0.00389861 0.00156884 -0.0134061 16
4806 276 H 13.9105 28.397 47.5462 -0.0123592 0.00379168 0.0156634 16
4807 277 H 12.1758 28.3517 47.3294 -0.00585335 0.00428237 -0.0120792 16
4808 278 H 12.7334 19.0411 34.2318 -0.00498561 0.00399616 0.00333216 16
4809 279 H 14.3812 19.798 34.2035 0.0033189 0.00540092 -0.00029757 16
4810 280 H 12.2807 20.1837 36.3213 -0.00368743 -0.0159241 0.00827625 16
4811 281 H 13.8507 21.0635 36.2336 -0.00971554 0.0054 -0.00070005 16
4812 282 H 15.0035 18.7362 36.4881 0.00159648 0.00455801 0.00474874 16
4813 283 H 13.3975 18.1138 36.6955 0.00788589 -0.00709986 0.0120223 16
4814 284 H 13.1423 19.8707 38.6147 0.00275912 -0.000861823 -0.000575196 16
4815 285 H 14.8262 20.2686 38.377 0.0142702 -0.00985462 0.00140732 16
4816 286 H 15.1851 17.6637 38.9277 0.00287705 -0.00695262 0.00286598 16
4817 287 H 13.4833 17.7378 39.5186 -3.96599e-05 0.00489112 0.00996775 16
4818 288 H 15.8523 19.2051 40.6588 0.00237335 -0.0165858 0.0105122 16
4819 289 H 15.0483 17.9241 41.4021 0.00134924 -0.000424516 0.00289502 16
4820 290 H 12.8058 19.2643 41.3447 -0.00330731 0.00586613 0.00250266 16
4821 291 H 13.7924 20.5982 40.781 0.0119187 0.00222966 0.00226601 16
4822 292 H 13.4789 20.8924 43.1598 -0.00539633 -0.00210709 0.00443559 16
4823 293 H 15.1886 20.4998 42.8575 -0.00221777 0.00499252 -0.00975762 16
4824 294 H 14.7263 18.1406 43.6411 -0.00878708 -0.00273762 -0.00448908 16
4825 295 H 13.042 18.6243 43.8879 -0.00611076 0.0122325 -0.00681492 16
4826 296 H 14.1443 20.5453 45.3533 -0.0109091 -0.00454321 0.0159024 16
4827 297 H 15.5847 19.4779 45.325 0.00136549 0.0160719 0.0102754 16
4828 298 H 14.5595 19.131 47.4139 -0.0117475 0.00410763 0.00635418 16
4829 299 H 14.2107 17.6743 46.4642 0.0103742 0.00130727 0.00150488 16
4830 300 H 12.1234 18.3651 47.6007 0.00448491 0.00263317 9.28558e-05 16
4831 301 H 11.9394 18.5255 45.9233 -0.0134652 -0.00553991 0.00913308 16
4832 302 H 12.207 19.9937 46.8628 0.00480857 -0.000142911 0.00704807 16
4833 1 C 17.4751 20.0863 31.1837 -0.0022836 0.00099279 0.00717002 17
4834 2 C 17.5609 20.0272 29.7798 0.00533272 -0.0011506 -0.00216236 17
4835 3 C 17.0823 18.9267 29.1131 0.00218166 0.00112832 0.000705382 17
4836 4 C 16.4741 17.8855 29.8367 -0.000718079 0.0020356 0.00545548 17
4837 5 C 16.336 17.9393 31.2594 -0.000951391 1.35881e-05 -0.000810599 17
4838 6 C 16.8524 19.0484 31.9516 0.00471678 -0.00444942 0.00122084 17
4839 7 C 11.7298 17.0058 30.5484 -0.00169106 -0.000833302 -0.00014884 17
4840 8 C 11.9916 16.9404 29.1607 -0.00279638 0.000959308 0.000210876 17
4841 9 C 13.3102 16.8188 28.6824 -0.00127794 0.00247049 -0.000466298 17
4842 10 C 14.3627 16.7481 29.5837 -0.000653608 -0.00124206 0.000532941 17
4843 11 C 14.1421 16.8605 30.9735 0.00178178 0.00021084 -0.00315908 17
4844 12 C 12.8005 16.9514 31.4618 0.00213096 0.00189558 0.00222895 17
4845 13 C 17.6147 13.5176 31.5402 0.00435383 0.000157373 -0.000310903 17
4846 14 C 17.7701 13.5382 30.1729 0.00171363 -8.17678e-05 0.00186714 17
4847 15 C 17.2031 14.5274 29.3616 0.00272422 -0.00349924 -0.00374183 17
4848 16 C 16.4011 15.5005 29.9564 -0.00118135 -0.00271702 -0.00153784 17
4849 17 C 15.8144 16.6678 29.1853 -0.00168756 0.00499973 -0.0019836 17
4850 18 O 16.5269 14.4242 33.5243 -0.000657742 0.00115732 0.000875003 17
4851 19 O 12.5197 16.9759 32.8405 0.000511268 0.00283481 0.000917751 17
4852 20 O 16.6479 19.2101 33.301 0.00199156 0.000656753 -0.00209495 17
4853 21 C 16.7394 14.4495 32.1451 -0.000808274 -0.00226172 0.000327784 17
4854 22 C 16.1528 16.5849 27.7672 -0.00107989 -0.00713552 -0.00289075 17
4855 23 C 16.7157 16.5679 26.7008 -0.00212626 0.00113718 -0.000643217 17
4856 24 C 17.55 16.5651 25.5412 0.00169772 0.00358182 0.00170982 17
4857 25 C 18.1057 15.3311 25.1042 0.00153224 0.00324719 0.000812825 17
4858 26 C 19.0095 15.37 24.0213 -0.00112637 0.00194199 0.00298643 17
4859 27 C 19.4229 16.6056 23.4944 -0.00367779 -0.00153945 -0.00268478 17
4860 28 C 18.9702 17.8076 24.0242 0.000146786 -0.00212681 0.00357899 17
4861 29 C 18.0238 17.8048 25.0207 0.00477687 0.00133994 0.00481224 17
4862 30 C 20.2106 16.7416 22.2987 -0.00846121 -0.00885861 -0.000189497 17
4863 31 C 20.66 16.9051 21.175 0.00401811 0.0071058 -0.000949573 17
4864 32 C 19.3068 13.6378 18.6408 -0.000355158 -0.00325701 -0.00145729 17
4865 33 C 19.3701 13.7944 17.2354 -0.00152632 -0.005846 0.000548645 17
4866 34 C 19.9626 14.9294 16.6891 0.000458827 0.00380354 0.000718269 17
4867 35 C 20.34 15.9674 17.5266 -0.00230925 -0.00105863 0.00021975 17
4868 36 C 20.2649 15.8718 18.9313 -0.00106432 0.00138728 0.00360537 17
4869 37 C 19.7525 14.6648 19.4725 0.0035741 0.00133042 -0.00312206 17
4870 38 C 20.8083 17.0775 19.6901 0.000152781 -0.00412925 -0.0030803 17
4871 39 C 24.6405 17.1035 19.2007 -0.00238116 -1.91659e-05 -0.000800173 17
4872 40 C 24.6963 17.0614 17.7934 0.00361286 -0.00114764 -0.00102126 17
4873 41 C 23.533 17.1783 17.0447 0.000454767 0.00264102 0.000290957 17
4874 42 C 22.3046 17.2941 17.7105 -0.00313437 0.00287061 -0.00200171 17
4875 43 C 22.2576 17.1776 19.0927 -0.00176964 -0.00392428 0.00245172 17
4876 44 C 23.4379 17.1203 19.8596 0.00175953 0.00101698 0.00272486 17
4877 45 C 18.5925 20.2237 19.248 -0.00193174 0.00244158 -0.00557326 17
4878 46 C 18.6734 20.2764 17.8368 -0.00288127 0.000107174 -0.00525283 17
4879 47 C 19.4503 19.4083 17.081 0.00349509 -0.00125413 -0.000888181 17
4880 48 C 20.142 18.3861 17.7459 -0.00504027 -0.000341176 0.00346117 17
4881 49 C 20.9667 17.2797 17.0593 -0.00111867 6.62442e-05 0.00252541 17
4882 50 C 20.0321 18.2697 19.1516 -0.00174755 0.000376151 -0.000874613 17
4883 51 C 19.252 19.1822 19.9443 0.0041107 -0.000536537 -4.16624e-05 17
4884 52 O 23.5084 17.0671 15.6701 0.000852565 0.0018184 -0.00092503 17
4885 53 O 20.0683 15.0427 15.3089 -0.00189638 0.00347788 0.00140344 17
4886 54 O 19.53 19.5199 15.7123 0.000714494 -0.00117117 -0.00146874 17
4887 55 C 15.457 16.7902 31.8156 0.00215329 -0.00129731 0.000343612 17
4888 56 C 16.2022 15.5047 31.3482 -0.000462662 -0.000948395 0.000608346 17
4889 57 C 24.3927 17.8562 14.8816 -0.000486446 -0.000487195 -0.00576469 17
4890 58 C 23.9243 17.9875 13.3867 0.00109361 0.000275782 0.00338634 17
4891 59 C 22.7554 17.1396 12.9146 0.000648659 0.00179965 0.000852366 17
4892 60 C 22.3268 17.4896 11.4776 -0.00117242 0.00083427 0.00327645 17
4893 61 C 23.1982 16.871 10.3435 -0.00162387 -0.00174591 0.000875897 17
4894 62 C 22.8835 17.6025 9.00346 -0.000571084 -0.00475447 -0.0026407 17
4895 63 C 23.2702 16.8401 7.72253 -0.00111312 0.000922421 0.00279628 17
4896 64 C 23.0128 17.6486 6.47135 0.00177813 0.00068421 -0.00306324 17
4897 65 C 23.2064 16.8307 5.20181 0.00228954 0.00441948 0.000796978 17
4898 66 C 23.4439 17.7022 3.93193 -0.00172381 0.000913757 0.00118912 17
4899 67 C 23.6286 16.888 2.6736 -0.00456467 -0.00350929 -0.00496959 17
4900 68 C 22.3104 16.6217 1.94999 0.000590913 0.000950429 0.000878832 17
4901 69 F 19.4136 14.1902 23.4674 0.0035423 0.00225108 0.000633493 17
4902 70 C 21.24 14.5298 14.6625 -0.000659 0.00478746 0.0018133 17
4903 71 C 21.2532 13.0067 14.5333 -0.00137787 -0.00252089 0.00145375 17
4904 72 C 22.3234 12.4477 13.5848 0.00213975 -0.00054257 -0.00239652 17
4905 73 C 22.2023 12.8091 12.0461 0.00343706 -0.000215761 0.00201508 17
4906 74 C 23.2061 12.0453 11.1556 -0.00506262 0.00350213 0.00242582 17
4907 75 C 22.7973 11.6927 9.69656 -0.0033861 -0.00452032 0.00233786 17
4908 76 C 23.0785 12.7841 8.6746 0.0052863 0.000590374 -1.56225e-05 17
4909 77 C 22.7058 12.2445 7.26777 -0.000537537 0.00160904 0.00402991 17
4910 78 C 22.9694 13.2298 6.11412 0.00234552 0.00592076 0.00502343 17
4911 79 C 22.6074 12.5542 4.77536 -0.000625066 0.00049959 0.000750489 17
4912 80 C 22.7418 13.5561 3.6008 -0.00039379 0.00355942 0.00394248 17
4913 81 C 22.5132 12.936 2.21185 -0.00333352 -0.0025265 -0.000649568 17
4914 82 C 18.3815 19.2787 14.9203 0.00235084 -0.00781748 0.00190449 17
4915 83 C 18.7183 19.6927 13.472 -0.00169526 0.000497191 -0.0029049 17
4916 84 C 19.2316 18.5324 12.6378 0.00419405 -0.00158662 -0.000153298 17
4917 85 C 18.6725 18.5079 11.193 0.000141892 -0.00239641 0.00397955 17
4918 86 C 19.3315 19.4953 10.2237 -0.000324424 0.00383594 0.00164594 17
4919 87 C 18.7079 19.2732 8.78389 0.000128403 -0.00553017 -0.00139758 17
4920 88 C 19.5429 19.7944 7.64653 0.000638182 0.00537136 -0.000524724 17
4921 89 C 18.8893 19.5237 6.26888 0.00151169 -0.00286005 -0.000519 17
4922 90 C 19.7099 20.1786 5.15925 0.00193272 -0.00162172 0.0052034 17
4923 91 C 19.0534 20.1286 3.77542 0.000675336 0.00395647 -0.000180645 17
4924 92 C 19.2314 18.8531 2.98177 -0.000451873 0.00233521 0.00106192 17
4925 93 C 18.833 19.1585 1.493 -0.00617875 0.00196116 -0.000185406 17
4926 94 C 11.1775 17.2273 33.334 -0.00243925 -0.00103931 -0.00262099 17
4927 95 C 11.0226 16.8432 34.8114 -0.00132811 0.00127456 0.00373732 17
4928 96 C 9.61953 16.9497 35.4483 0.00441641 -0.00311062 -0.003735 17
4929 97 C 9.69895 16.6535 36.9752 0.00429174 0.00191643 -0.000187308 17
4930 98 C 10.4204 17.7662 37.7837 -0.00466524 0.00182299 0.00262163 17
4931 99 C 9.99007 17.828 39.2518 0.000772005 0.00250143 -0.00387551 17
4932 100 C 9.91035 16.4301 39.9168 -0.00184545 0.00410815 -0.00173807 17
4933 101 C 9.77257 16.4804 41.4428 0.00118667 0.00125576 0.00202863 17
4934 102 C 11.0809 16.8498 42.161 0.00151458 0.00209672 -0.00145396 17
4935 103 C 11.0903 16.3948 43.6435 0.000320824 0.000898092 -0.00285886 17
4936 104 C 10.0193 17.0611 44.528 0.00161411 -0.00250198 0.00114728 17
4937 105 C 10.0476 16.4195 45.931 0.00114111 -0.00147168 0.00300437 17
4938 106 C 17.2894 20.3596 33.9257 0.00466952 0.00181681 0.0011362 17
4939 107 C 17.075 20.4913 35.4404 0.00101258 -0.00144538 -0.000849328 17
4940 108 C 17.7711 21.7397 35.9946 -0.000453381 -0.00142389 -0.00209319 17
4941 109 C 17.5417 21.9564 37.4976 -0.00591984 0.0010843 0.00334531 17
4942 110 C 17.8974 20.7375 38.3965 -7.67386e-05 -0.00329974 -0.00648591 17
4943 111 C 18.2735 21.0414 39.839 0.000399726 -0.000814089 -0.00510977 17
4944 112 C 17.319 21.9371 40.6311 -0.00102818 -0.00114364 0.00211035 17
4945 113 C 17.7651 22.2003 42.0825 -0.000532682 -0.00400891 -0.00301626 17
4946 114 C 18.1838 20.9375 42.8792 -0.00350964 -0.00145611 -0.00306925 17
4947 115 C 18.6978 21.322 44.252 -0.0029195 0.00475902 -0.00417373 17
4948 116 C 17.6521 21.9756 45.1814 0.00320587 0.00260433 -0.00219815 17
4949 117 C 18.0963 21.9974 46.6499 -0.000540932 0.00125207 0.000349176 17
4950 118 C 17.2919 13.4886 34.3162 -0.00250154 0.00133802 -0.000849693 17
4951 119 C 16.7296 13.3753 35.7629 0.00157841 -0.00181191 0.00108754 17
4952 120 C 17.5907 12.5124 36.7089 0.0013041 -0.000471181 0.00518631 17
4953 121 C 16.9042 12.3049 38.0645 0.00643273 -0.00343277 -1.86365e-05 17
4954 122 C 17.9316 12.2977 39.2062 -0.00342636 0.00423128 0.000438561 17
4955 123 C 17.2585 11.9765 40.5167 0.00215383 -0.00328973 -7.7576e-05 17
4956 124 C 18.09 12.4338 41.7264 -0.000996718 -0.000832217 0.0004664 17
4957 125 C 17.4469 11.906 43.0232 -0.00137553 0.00115209 0.00034284 17
4958 126 C 18.1157 12.4352 44.2925 -0.00197344 -0.00335749 0.00116605 17
4959 127 C 17.4314 11.8777 45.5477 0.000998372 0.0018381 -0.000919076 17
4960 128 C 18.0935 12.3469 46.8455 4.69415e-05 -0.000922178 -0.00245815 17
4961 129 C 17.5176 11.6357 48.0714 0.00281241 -0.00619761 0.00247309 17
4962 130 F 17.842 14.1382 25.697 -9.93097e-05 0.00592222 -0.00291935 17
4963 131 H 17.8773 20.9857 31.6407 -0.0158953 0.00629517 0.00871668 17
4964 132 H 18.0541 20.8031 29.2017 0.00892686 -0.00644223 -0.00621475 17
4965 133 H 17.1224 18.8894 28.0285 -0.00852093 -0.00134823 0.000378062 17
4966 134 H 10.6941 17.1255 30.8525 -0.000924212 0.00217976 0.00128043 17
4967 135 H 11.1334 16.9471 28.4952 -0.00472714 -0.00583723 0.00261824 17
4968 136 H 13.4241 16.7301 27.6061 0.0103127 0.0078507 0.000350059 17
4969 137 H 18.1701 12.7969 32.1331 -0.00517467 -0.00833488 -0.0017307 17
4970 138 H 18.4183 12.815 29.6869 0.00274702 -0.00372159 0.00867651 17
4971 139 H 17.3608 14.449 28.29 0.0057554 -0.00435711 -0.00323183 17
4972 140 H 19.2677 18.72 23.5159 -0.00441514 -0.00528438 -0.00480302 17
4973 141 H 17.6381 18.7641 25.3529 -0.0084819 -0.00103501 -0.00371473 17
4974 142 H 18.9165 12.7378 19.1067 -0.0118426 0.00331216 0.00159217 17
4975 143 H 18.9861 13.0001 16.6022 0.00854653 -0.00319655 -0.00886131 17
4976 144 H 19.7197 14.5427 20.5511 0.00251531 0.00541132 -0.00268741 17
4977 145 H 25.5018 16.9205 19.8364 -0.00349363 0.0123373 0.00424527 17
4978 146 H 25.6461 16.9551 17.2777 0.00554471 -0.0117712 0.00475309 17
4979 147 H 23.3792 17.1107 20.944 0.0119277 -0.00639784 0.00318607 17
4980 148 H 18.0166 20.9559 19.8063 0.00110451 0.00841984 -0.0102861 17
4981 149 H 18.1345 21.0381 17.2813 0.00554088 0.00692909 -0.00406287 17
4982 150 H 20.9627 17.3932 15.9682 0.00716157 -0.000931759 0.00240408 17
4983 151 H 19.205 19.1193 21.0275 -0.0106211 0.00431034 -0.00040944 17
4984 152 H 15.2914 16.8897 32.8955 -0.0102111 -0.000624174 -0.00161154 17
4985 153 H 24.3898 18.8826 15.2687 -0.00835223 0.000510169 -0.00842557 17
4986 154 H 25.4006 17.4277 14.944 -0.00262624 -0.00608477 -0.00955653 17
4987 155 H 24.7784 17.7604 12.7368 -0.00490603 -0.00343169 -0.0032051 17
4988 156 H 23.6421 19.0422 13.2807 -0.00167046 -0.000700987 0.00107805 17
4989 157 H 21.9078 17.337 13.5824 0.0032494 0.00210398 0.0040629 17
4990 158 H 22.9548 16.0622 12.9678 0.00773497 0.00343437 0.0071436 17
4991 159 H 22.2064 18.5713 11.3405 -0.0213418 -0.00302248 -0.00980609 17
4992 160 H 21.3039 17.123 11.3269 -0.00100383 0.00375534 -0.00500157 17
4993 161 H 22.9931 15.7956 10.2731 -0.018513 0.000817303 0.0109471 17
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4995 163 H 23.3667 18.5849 8.93347 -0.00104533 -0.00342387 0.0133045 17
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4998 166 H 24.3428 16.6126 7.75793 -0.000337518 0.00554557 0.00893589 17
4999 167 H 23.6939 18.5082 6.44847 0.00218199 0.000481839 0.00145364 17
5000 168 H 21.9906 18.0439 6.51825 -0.00190973 -0.0100891 0.00754118 17
5001 169 H 22.2528 16.3116 5.04558 0.00187202 0.00545544 -0.000112406 17
5002 170 H 24.0048 16.0896 5.33088 -0.00216919 -0.00174324 -0.00699623 17
5003 171 H 24.3244 18.3316 4.11089 -0.00397653 0.00404414 0.00128183 17
5004 172 H 22.6047 18.3967 3.80267 0.000544311 0.00592333 0.0132857 17
5005 173 H 24.1917 15.966 2.86441 -0.0100618 -0.00820665 -0.0114547 17
5006 174 H 24.2893 17.4381 1.99213 -0.00156702 0.00732717 0.00668132 17
5007 175 H 21.5028 16.3093 2.62346 -0.00508547 0.0107127 -0.00139567 17
5008 176 H 22.4082 15.8175 1.21032 -0.00316847 -0.00828472 0.0104009 17
5009 177 H 21.9744 17.518 1.41402 0.0039299 0.00049009 -0.00198556 17
5010 178 H 21.2589 14.937 13.644 -0.00136846 -0.0070563 -0.00293206 17
5011 179 H 22.1626 14.887 15.1366 0.0064895 -0.0127207 0.0010968 17
5012 180 H 21.511 12.6804 15.5485 0.00430986 0.00313249 0.00184516 17
5013 181 H 20.2487 12.6358 14.2951 0.00110002 -0.0107409 0.00383609 17
5014 182 H 23.3099 12.7772 13.9336 0.00919792 -0.0171471 -0.00672546 17
5015 183 H 22.2737 11.356 13.6801 -0.0208852 0.0021423 0.0165363 17
5016 184 H 21.201 12.5078 11.7143 0.00716107 0.0039145 -0.0129599 17
5017 185 H 22.2962 13.8903 11.8857 -0.0156453 0.00240096 0.0084558 17
5018 186 H 24.1435 12.6129 11.1053 -0.00452401 0.00227932 -0.00133485 17
5019 187 H 23.3568 11.1092 11.7073 -0.00611247 0.00124812 -0.00112157 17
5020 188 H 23.3609 10.8095 9.37126 -0.00225914 -0.000416489 -0.00688854 17
5021 189 H 21.7233 11.4744 9.64966 -0.00448698 0.00221287 -0.00406684 17
5022 190 H 22.5271 13.703 8.90889 -0.00199489 1.87692e-05 -0.0149174 17
5023 191 H 24.1461 13.0336 8.71073 0.00382221 0.005426 0.00991736 17
5024 192 H 23.1824 11.2715 7.09632 -0.00153204 -0.000828809 0.015043 17
5025 193 H 21.6238 12.0678 7.30683 -0.00187311 0.00846171 -0.00197694 17
5026 194 H 22.389 14.1538 6.22731 -0.00332177 0.00342881 -0.00364682 17
5027 195 H 24.0204 13.5216 5.99714 -0.000480057 0.0125618 -0.0040663 17
5028 196 H 23.272 11.7083 4.56038 0.00274702 0.00161463 0.00680493 17
5029 197 H 21.5637 12.2218 4.83542 0.00387395 -0.013072 0.00344689 17
5030 198 H 22.0395 14.385 3.75305 -0.00749766 -0.00121588 -0.00283874 17
5031 199 H 23.7569 13.9717 3.61231 -0.00455638 0.0138239 -1.08216e-06 17
5032 200 H 22.415 13.712 1.44265 0.00683247 -0.00148634 -0.000865807 17
5033 201 H 23.3615 12.3058 1.91758 -0.00034625 -0.000169793 0.00290094 17
5034 202 H 21.5533 12.4145 2.112 -0.00116392 -0.00634958 -0.00146544 17
5035 203 H 18.1005 18.2188 14.9516 -0.00313619 -0.00685746 -0.0145246 17
5036 204 H 17.57 19.8821 15.3454 -0.00397562 0.00223227 -0.0245323 17
5037 205 H 17.8787 20.148 12.9324 0.00107035 0.0136142 0.0038772 17
5038 206 H 19.5203 20.4401 13.4319 -7.60669e-05 -0.00084773 0.00471769 17
5039 207 H 20.3207 18.6317 12.5517 0.00361218 0.00283152 -0.00243206 17
5040 208 H 19.0562 17.5711 13.1365 0.00873897 0.00381028 0.0118581 17
5041 209 H 18.8431 17.4786 10.8542 -0.00867773 -0.00125571 -0.00387365 17
5042 210 H 17.593 18.7016 11.2197 0.00171222 0.00785591 -0.00696985 17
5043 211 H 19.1719 20.5369 10.5286 -0.016003 0.00553795 -0.012319 17
5044 212 H 20.4163 19.3359 10.1889 -0.00136779 -0.00406631 0.00550075 17
5045 213 H 18.5504 18.197 8.6413 0.00109182 -0.00554032 -0.00237226 17
5046 214 H 17.7123 19.7284 8.85552 0.00629216 0.00882379 -0.00737988 17
5047 215 H 19.6577 20.8741 7.80333 -0.00108388 0.00551885 -0.000267984 17
5048 216 H 20.5321 19.3203 7.64796 0.00134124 0.0068871 0.00785762 17
5049 217 H 18.7934 18.4423 6.11175 -0.00260034 -0.00143569 -0.00781877 17
5050 218 H 17.8511 19.8757 6.22846 0.00806409 0.0160784 -0.00295758 17
5051 219 H 19.876 21.2379 5.39084 -0.00915091 0.00308745 -0.00828903 17
5052 220 H 20.6664 19.6439 5.1081 0.0073823 0.00708732 0.0164199 17
5053 221 H 17.9747 20.3278 3.76653 0.00115586 0.00630549 -0.00830187 17
5054 222 H 19.4921 20.944 3.18716 0.000544655 -0.00112954 -0.00733346 17
5055 223 H 20.2872 18.5555 2.96878 0.00111018 0.00736866 0.0139172 17
5056 224 H 18.6217 18.0863 3.47532 0.00335847 -0.00528582 -0.00611393 17
5057 225 H 17.7977 19.52 1.46286 -0.00476744 0.00693136 0.0104402 17
5058 226 H 19.4386 19.9691 1.06932 0.00504301 -0.00176087 0.00875434 17
5059 227 H 18.9596 18.2626 0.87263 0.00711921 -0.000744393 0.00641725 17
5060 228 H 10.9454 18.2918 33.2065 -4.40878e-05 0.00144082 0.0137244 17
5061 229 H 10.5057 16.6201 32.7149 0.00592678 -0.00758044 -0.00532377 17
5062 230 H 11.3462 15.8052 34.9577 -0.00875626 -0.000410392 0.00821856 17
5063 231 H 11.7342 17.5051 35.3204 0.0122864 -0.00740261 -0.00395853 17
5064 232 H 9.24743 17.9744 35.3253 0.00788322 -0.00257575 -0.00975982 17
5065 233 H 8.90716 16.321 34.8999 -0.00790856 0.0043941 0.00369509 17
5066 234 H 8.67221 16.5624 37.3506 0.00489134 0.00749464 0.0028021 17
5067 235 H 10.1527 15.6709 37.1541 -0.00885724 -0.00568153 -0.00845568 17
5068 236 H 11.5086 17.6799 37.6751 -0.00441856 0.00017578 0.00645812 17
5069 237 H 10.1922 18.7241 37.3003 -0.0128521 -0.00259296 -0.00227043 17
5070 238 H 10.7219 18.439 39.7944 -0.0115768 0.0114181 0.00272887 17
5071 239 H 9.02454 18.3442 39.3204 -0.00190633 -0.00190593 -0.00844743 17
5072 240 H 9.10872 15.7872 39.5328 0.0024826 -0.0104285 0.0134396 17
5073 241 H 10.8277 15.8961 39.6399 -0.0116067 -0.0139448 0.000774631 17
5074 242 H 8.98356 17.2045 41.6808 -0.00574572 9.39249e-06 -0.0170616 17
5075 243 H 9.54827 15.4578 41.7703 0.00829532 -0.00229127 -0.00408484 17
5076 244 H 11.9565 16.5111 41.5935 0.00132514 0.00208571 -0.00174036 17
5077 245 H 11.1228 17.9439 42.0919 -0.00212791 0.00396651 0.026561 17
5078 246 H 10.9898 15.3024 43.6424 0.00184286 0.000757849 -0.0079305 17
5079 247 H 12.0317 16.6007 44.1676 -0.00218565 -0.0143277 0.00769152 17
5080 248 H 10.2587 18.1307 44.573 0.00202308 -0.00278749 0.00575038 17
5081 249 H 9.01802 16.9126 44.1052 -0.00681501 -0.00506091 0.0219666 17
5082 250 H 9.27925 16.8101 46.6096 -0.00688721 0.00985724 -0.0126625 17
5083 251 H 9.83778 15.3439 45.8807 0.00194424 -0.00171236 0.0047654 17
5084 252 H 11.0155 16.5272 46.4359 0.000656058 -0.00764765 0.00525833 17
5085 253 H 18.3619 20.4124 33.7012 0.00287962 -0.0044421 -0.00883535 17
5086 254 H 16.8392 21.279 33.5317 0.00684316 0.00421221 0.00422485 17
5087 255 H 15.9933 20.4915 35.6227 0.00116402 -0.000293463 3.19903e-05 17
5088 256 H 17.5161 19.6172 35.9352 -0.0024196 -0.00622118 -0.00622433 17
5089 257 H 18.8446 21.7224 35.7696 -0.00245307 -0.00294668 -0.0115295 17
5090 258 H 17.4554 22.6433 35.4586 0.00096085 0.00147966 0.00195608 17
5091 259 H 18.1616 22.8145 37.7856 0.00216907 0.00756591 -0.0332489 17
5092 260 H 16.4963 22.209 37.7138 -0.00793378 -0.000434295 -0.00465719 17
5093 261 H 17.0729 20.0149 38.3579 0.00259681 -0.00674544 0.00105267 17
5094 262 H 18.7907 20.2093 38.0409 0.00196814 -0.00226295 -0.00291514 17
5095 263 H 18.378 20.0822 40.361 0.0066557 -0.00173739 -0.00806096 17
5096 264 H 19.2687 21.5026 39.8526 -0.00176416 0.00427635 -0.0195734 17
5097 265 H 17.2191 22.8976 40.1106 0.00494655 0.00248404 0.00765452 17
5098 266 H 16.3578 21.4084 40.6318 0.00763107 -0.0169665 -0.00359251 17
5099 267 H 18.6391 22.8633 42.0782 0.000105432 -0.00480495 0.00313365 17
5100 268 H 16.9204 22.651 42.6179 0.00164602 -0.00541862 0.00161638 17
5101 269 H 17.3832 20.1986 43.007 0.000108705 -0.00553756 -0.00397419 17
5102 270 H 19.0088 20.4569 42.339 -0.000619259 0.00265146 -0.00231083 17
5103 271 H 19.0699 20.416 44.7461 -0.00102145 0.0071704 -0.00117229 17
5104 272 H 19.5999 21.9338 44.1281 0.011036 -0.0130587 0.00913256 17
5105 273 H 17.4575 22.9825 44.7918 0.00166706 0.00565894 0.00649069 17
5106 274 H 16.6911 21.4467 45.1933 -0.00691919 0.0208701 -0.0075691 17
5107 275 H 17.2396 22.2843 47.2722 -0.010303 -0.00460177 -0.0103571 17
5108 276 H 18.324 20.9577 46.9154 -0.0116384 -0.00253037 -0.00487388 17
5109 277 H 18.9693 22.6206 46.8797 0.00415294 -0.00199738 -0.00871446 17
5110 278 H 17.1933 12.4962 33.8592 -0.0156766 0.00688402 -0.0101185 17
5111 279 H 18.338 13.8026 34.4186 -0.00123541 -0.00232441 -0.00261221 17
5112 280 H 15.7194 12.955 35.6831 0.00244227 -0.00321466 -0.00245736 17
5113 281 H 16.5972 14.3781 36.1875 -0.00653786 -0.00540811 0.00704775 17
5114 282 H 18.5121 13.0514 36.9616 0.00243386 -0.00559222 0.0119998 17
5115 283 H 17.8362 11.551 36.2412 -0.00402658 -0.00769115 0.0172044 17
5116 284 H 16.3104 11.3835 38.1062 0.000494334 0.000699857 0.00675648 17
5117 285 H 16.2422 13.1623 38.2376 0.000598669 -0.00991951 0.00965959 17
5118 286 H 18.5188 13.2176 39.3182 -0.00291928 0.00367456 0.00240141 17
5119 287 H 18.7914 11.6386 39.0342 0.000658118 0.012692 -0.0117053 17
5120 288 H 17.055 10.8997 40.5659 0.00384592 -0.00371596 -0.00234369 17
5121 289 H 16.3053 12.519 40.5388 0.00158883 -0.00424476 -0.00110992 17
5122 290 H 18.1099 13.529 41.7863 -0.000496909 -0.000863629 0.000880022 17
5123 291 H 19.1339 12.1153 41.616 -0.00178712 -0.00165088 -0.0046693 17
5124 292 H 17.4068 10.8105 43.0637 -0.00637176 0.00144044 0.00346837 17
5125 293 H 16.3901 12.1979 43.0603 -0.00361012 -0.00405016 -0.0226632 17
5126 294 H 18.0447 13.5232 44.4138 -0.000750586 -0.00222583 -0.00853528 17
5127 295 H 19.1645 12.1139 44.2991 0.00294238 0.0128268 0.00374349 17
5128 296 H 17.4866 10.787 45.4447 -0.00539467 0.00266533 -0.0133216 17
5129 297 H 16.3723 12.163 45.5282 0.000825188 0.00145927 0.00319805 17
5130 298 H 17.9913 13.4349 46.9406 0.0047424 0.000214615 -0.0104096 17
5131 299 H 19.1639 12.1076 46.827 -0.00369477 -0.018296 0.00483329 17
5132 300 H 17.592 10.5434 48.0019 -0.00337806 -0.00619397 -0.0045009 17
5133 301 H 16.4371 11.7883 48.1839 0.00473211 -0.000322858 0.0128896 17
5134 302 H 17.9751 12.0347 48.9851 0.0089391 1.4372e-05 -0.00330547 17
5135 1 C 21.2845 27.1113 31.6692 -0.00152052 0.00533035 0.00198561 18
5136 2 C 21.2778 27.1259 30.2801 0.00476591 -0.000261655 -0.000412082 18
5137 3 C 20.8013 26.004 29.5909 -0.000485109 -0.00283605 -0.000107987 18
5138 4 C 20.2474 24.9349 30.2955 -0.000456435 0.00224377 -0.00658499 18
5139 5 C 20.163 24.954 31.7209 0.00218903 -0.00100579 0.00445677 18
5140 6 C 20.6411 26.1063 32.4182 0.000378347 0.00166701 -0.00516446 18
5141 7 C 15.6938 23.4622 31.053 0.00131933 -2.54143e-05 0.0025512 18
5142 8 C 15.8926 23.5382 29.6499 0.00306818 -0.00653809 -0.000734733 18
5143 9 C 17.2044 23.5974 29.1581 -0.00511141 -0.00188103 0.00332582 18
5144 10 C 18.2388 23.5715 30.1001 -0.00213299 -0.00236863 0.00166241 18
5145 11 C 18.0561 23.6769 31.4932 -0.00112441 -0.000851145 -0.00113227 18
5146 12 C 16.7333 23.5659 31.9742 -0.000933071 0.000922457 0.00302167 18
5147 13 C 21.2966 20.3066 31.7942 0.00110517 -0.00732212 0.000573118 18
5148 14 C 21.375 20.3097 30.3988 0.00463803 0.000978434 -0.000209083 18
5149 15 C 20.8898 21.4162 29.6805 0.00119869 0.00504937 -0.00324098 18
5150 16 C 20.3548 22.5267 30.3451 0.00336471 0.00427117 -0.000226054 18
5151 17 C 19.69 23.6746 29.6628 0.00269815 0.0025125 -0.0025156 18
5152 18 O 20.5924 21.277 33.8512 0.00013713 -0.00220337 -0.000684454 18
5153 19 O 16.4403 23.6885 33.3437 -0.00204274 0.00299273 -0.00301576 18
5154 20 O 20.5665 26.2111 33.8225 0.000367428 0.00162592 0.0027549 18
5155 21 C 20.6737 21.3778 32.4817 0.000511152 -0.00400849 0.0016776 18
5156 22 C 20.0058 23.6242 28.1997 0.00183579 0.00294745 -0.000929775 18
5157 23 C 20.5568 23.6399 27.0974 0.00181859 0.000928446 0.00148861 18
5158 24 C 21.3508 23.6968 25.9266 0.0020605 -0.00153983 -0.00139731 18
5159 25 C 21.6447 24.8996 25.3239 0.00212297 0.00033783 -0.000589655 18
5160 26 C 22.5023 24.9241 24.2189 -0.00199111 0.000533428 0.00231988 18
5161 27 C 23.0771 23.7198 23.759 6.09878e-05 2.05008e-05 -0.00199151 18
5162 28 C 22.7266 22.5079 24.3674 -0.00164518 0.000648453 -0.000795823 18
5163 29 C 21.8578 22.4458 25.4781 0.000298297 -0.00244247 0.000756795 18
5164 30 C 23.8678 23.7264 22.5734 -0.00425394 0.00413333 -0.00191164 18
5165 31 C 24.3274 23.8298 21.4408 0.000167764 -0.00247986 0.00333659 18
5166 32 C 22.627 20.7641 18.844 -0.00320125 0.00138879 0.00460516 18
5167 33 C 22.6676 20.9637 17.4473 0.00260903 -0.00406892 -0.00211101 18
5168 34 C 23.3611 22.0677 16.9086 -0.003027 -0.00369061 0.00227994 18
5169 35 C 24.0119 22.9415 17.7979 -0.00469098 0.00269241 -0.00316589 18
5170 36 C 23.8807 22.8135 19.1995 0.000877175 -0.00240505 0.00403625 18
5171 37 C 23.1905 21.7048 19.7397 -0.00113943 -0.00103442 -0.00553637 18
5172 38 C 24.5912 23.9402 19.9972 3.17887e-05 0.00140447 0.00159102 18
5173 39 C 28.4891 23.7595 19.6898 0.00261286 -0.000471142 -0.000338186 18
5174 40 C 28.591 23.8315 18.2852 0.00274485 -0.00437647 0.000748576 18
5175 41 C 27.4327 23.8353 17.4987 0.000836454 0.00224857 0.000382375 18
5176 42 C 26.1715 23.9132 18.1212 0.00135385 0.00125323 -0.00120491 18
5177 43 C 26.0526 23.8625 19.5053 0.00442818 -0.00278551 -0.00537884 18
5178 44 C 27.2293 23.6893 20.2961 0.00114626 -0.00455279 0.00108915 18
5179 45 C 22.9839 27.399 19.3156 0.0053589 0.00163238 0.000622521 18
5180 46 C 23.1949 27.5178 17.9464 0.00294007 -0.00401069 0.00337788 18
5181 47 C 23.8619 26.492 17.2894 0.00211585 0.00156858 3.51412e-05 18
5182 48 C 24.2197 25.3358 17.9514 0.002043 0.00416078 0.00265635 18
5183 49 C 24.9179 24.1057 17.3476 -0.00260847 -0.00143502 0.00129652 18
5184 50 C 24.0234 25.2335 19.3507 -0.00113341 -0.00112842 -0.00395214 18
5185 51 C 23.3558 26.2522 20.0264 -8.71579e-05 0.00081702 0.00598088 18
5186 52 O 27.5717 23.8946 16.1259 -0.00102882 0.00283202 -9.59498e-06 18
5187 53 O 23.3386 22.3603 15.5637 6.39566e-05 0.00594722 -0.00247952 18
5188 54 O 24.122 26.5848 15.9256 0.0019412 0.00186441 0.00120145 18
5189 55 C 19.4065 23.7343 32.2847 -0.00108322 0.00195208 0.000506885 18
5190 56 C 20.2001 22.5141 31.7736 -0.00111214 0.000748033 -0.00235243 18
5191 57 C 27.749 22.7438 15.3058 0.00116405 -0.00478576 0.00106759 18
5192 58 C 26.641 22.7297 14.2568 0.0003314 -0.00115116 -0.00126095 18
5193 59 C 27.1757 23.275 12.9441 -0.000469414 0.00423269 0.00244069 18
5194 60 C 26.181 23.3551 11.7437 0.00684939 -0.000915328 0.000370667 18
5195 61 C 26.9165 23.7841 10.4437 0.00173759 0.00306645 0.00424155 18
5196 62 C 26.0442 23.6527 9.19563 0.00198446 -0.00545166 0.000649105 18
5197 63 C 26.8937 24.0722 7.95184 -0.00494971 0.00170917 0.000553971 18
5198 64 C 26.1509 23.8539 6.62868 0.00276433 -0.00035669 -0.00255181 18
5199 65 C 27.0302 23.994 5.34469 -0.00198732 0.000440594 -0.0014389 18
5200 66 C 26.2347 23.7211 4.03358 -0.00111323 -0.00261881 -0.000456649 18
5201 67 C 27.0397 24.1761 2.75859 0.00201691 0.00672651 -0.00425081 18
5202 68 C 26.3604 23.6789 1.44611 -0.00299423 0.000555843 0.00356574 18
5203 69 F 22.8406 26.1012 23.6693 0.00305541 -0.000873308 6.96354e-05 18
5204 70 C 23.2242 21.3487 14.513 -0.000989844 -0.000543429 -0.00193705 18
5205 71 C 22.9134 22.149 13.2339 -0.00360179 0.00126782 -0.00260406 18
5206 72 C 22.9124 21.3136 11.942 -0.00083402 -0.00177204 0.00429067 18
5207 73 C 22.7454 22.1622 10.7323 -0.0036386 -0.00355561 -0.00280124 18
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5209 75 C 22.7738 22.2309 8.23204 0.00188093 -0.00311264 -0.000223737 18
5210 76 C 23.1401 21.4143 6.98806 0.00160881 0.00192143 0.00139655 18
5211 77 C 23.0035 22.2087 5.66641 0.00121822 0.00281969 0.00131941 18
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5214 80 C 22.6062 20.9382 2.03279 0.00258291 0.00204182 -0.00270681 18
5215 81 C 23.9704 20.3738 1.55658 -0.000835061 0.00194798 0.000226829 18
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5217 83 C 25.64 26.6297 14.053 0.00646264 0.000397489 -5.48981e-05 18
5218 84 C 26.0137 27.8756 13.2313 -0.00426112 -0.00161845 -0.00314189 18
5219 85 C 26.2462 27.566 11.7048 0.000433396 0.00321912 -0.00133758 18
5220 86 C 25.1469 28.2126 10.7858 0.000197599 -0.00120575 0.000300837 18
5221 87 C 25.2243 27.924 9.26322 -0.00472052 -0.00241726 0.00247491 18
5222 88 C 26.4586 28.5317 8.59253 -0.00449629 -0.00320764 -0.00182424 18
5223 89 C 26.3613 28.6419 7.08238 0.000295337 0.00197835 -0.00246384 18
5224 90 C 25.9601 27.3589 6.32047 -0.00126912 -0.00564436 0.00109447 18
5225 91 C 25.4672 27.5814 4.8969 -0.00182637 -0.00456186 0.00126156 18
5226 92 C 26.5438 28.2743 4.00667 0.00406929 -0.00238055 0.00171475 18
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5229 95 C 14.8788 23.7534 35.3221 -0.000344911 0.000729783 0.00385402 18
5230 96 C 13.3966 23.7804 35.7695 -0.00338996 -0.00350348 0.00102166 18
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5233 99 C 14.5464 24.0695 39.4912 -0.00168323 -0.000160191 0.000280019 18
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5236 102 C 14.0613 24.6698 42.5871 -0.000732678 0.00242195 0.000432409 18
5237 103 C 14.5327 24.3416 44.0247 -0.000129254 0.000397538 0.000148784 18
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5241 107 C 20.6984 27.482 35.9501 -0.00162165 -0.00145089 -0.00281006 18
5242 108 C 21.59 28.6427 36.5474 -0.00160757 0.000981133 0.000128986 18
5243 109 C 21.4496 28.822 38.0395 0.000992404 0.00213238 0.00273864 18
5244 110 C 21.7607 27.5217 38.8052 -0.00152959 0.00129623 0.00119572 18
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5247 113 C 21.9459 28.7114 42.5914 -0.000862423 -0.00338417 -0.00189109 18
5248 114 C 22.2159 27.4928 43.4869 -0.00210214 -0.00184719 -0.0038019 18
5249 115 C 22.7117 27.8032 44.9206 -0.00389451 -0.00273673 -0.000767151 18
5250 116 C 21.5696 28.2856 45.7886 0.00107806 -0.000706599 -0.00126836 18
5251 117 C 22.0591 28.6947 47.1818 -0.0021496 0.00129499 -0.00327799 18
5252 118 C 21.3074 20.2425 34.5682 -0.000352358 -0.00558148 -0.00143723 18
5253 119 C 20.8398 20.177 36.0026 -0.00195662 -0.000125438 0.00263734 18
5254 120 C 21.7471 19.2529 36.8604 0.00238116 0.00242155 3.87603e-05 18
5255 121 C 21.3065 19.1613 38.356 -0.000336603 -0.00446027 0.000149012 18
5256 122 C 22.3366 18.296 39.1198 -0.00101859 0.00196731 0.00188917 18
5257 123 C 21.8705 17.9542 40.5299 0.00240605 0.000783871 -0.00404319 18
5258 124 C 21.764 19.1286 41.4794 0.00259163 -0.00295747 0.00191917 18
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5260 126 C 21.9168 19.5408 44.055 -0.0015256 0.003431 -0.00170741 18
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5262 128 C 22.416 19.5763 46.5504 0.00160075 0.00200701 0.00192869 18
5263 129 C 22.2331 18.9419 47.906 -0.000347398 0.000616626 -0.0042323 18
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5328 194 H 24.262 20.9395 4.41744 0.0048766 0.00828158 0.0107237 18
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5330 196 H 21.7146 22.3196 3.36487 -0.00752771 -0.00952336 0.000763041 18
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5340 206 H 24.7513 26.1125 13.6708 0.0121058 -0.0169686 0.0103058 18
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5342 208 H 26.8685 28.4493 13.6104 0.00166467 -0.00638436 -0.00928907 18
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5345 211 H 24.1504 27.8974 11.1188 0.00031853 0.00216894 0.00385978 18
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5348 214 H 24.3432 28.3882 8.80311 -0.00620459 0.00253075 0.0102835 18
5349 215 H 26.6783 29.5515 8.93192 -0.0177328 -0.00131408 0.00099302 18
5350 216 H 27.3051 27.8939 8.87538 0.000566146 0.00633087 0.00451496 18
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5353 219 H 26.8181 26.6759 6.29353 -0.00511911 -0.0101016 -0.00888446 18
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5360 226 H 26.0682 27.3715 2.15686 0.00378261 -0.000917956 0.00251147 18
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5364 230 H 15.406 22.953 35.8558 0.0109445 0.00401319 -0.00233661 18
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5389 255 H 19.7194 27.6468 36.4167 0.0101821 0.00299105 0.020432 18
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5399 265 H 20.7841 29.207 40.8002 0.0177361 0.0146637 0.0067585 18
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5401 267 H 22.9025 29.2217 42.4242 -0.00624859 0.00660835 -0.00222338 18
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5413 279 H 22.3757 20.4914 34.5513 8.65997e-05 -0.00797806 -0.00868727 18
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5423 289 H 20.8804 17.4872 40.4601 0.00768349 -0.0118036 0.00525527 18
5424 290 H 20.9963 19.8643 41.2095 0.0147903 0.0117203 0.00720467 18
5425 291 H 22.7537 19.6007 41.447 0.0010668 0.000417274 0.00476813 18
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5430 296 H 22.3497 17.8475 45.312 0.00652572 -0.000176094 0.00347238 18
5431 297 H 20.7586 18.5989 45.6042 -0.00631263 0.00764465 -0.00448187 18
5432 298 H 21.9394 20.562 46.6187 -0.00997322 -0.00283694 -0.00918241 18
5433 299 H 23.4838 19.7595 46.3784 0.00453115 -0.00841876 0.0090591 18
5434 300 H 22.92 18.0985 48.0479 -0.00769719 -0.0058423 -0.00717586 18
5435 301 H 21.1747 18.7169 48.0867 -0.000337428 -0.00428097 -0.0103651 18
5436 302 H 22.4514 19.6758 48.6915 0.00250032 -0.00680745 0.00190863 18
5437 1 C 25.0404 20.4632 30.9115 0.00134912 -0.00255463 0.00107605 19
5438 2 C 25.2085 20.3481 29.5415 -0.00181459 0.00127288 -0.00196942 19
5439 3 C 24.6658 19.2979 28.8814 -0.00224005 0.000220815 0.00245224 19
5440 4 C 24.1049 18.22 29.5695 0.00061589 -0.00068816 0.000883253 19
5441 5 C 24.0517 18.2338 30.9838 0.00243275 -0.00156111 -0.00182346 19
5442 6 C 24.4693 19.4028 31.6676 0.00133883 0.00219705 -0.00272318 19
5443 7 C 19.6588 16.7052 30.5827 -0.000283462 0.0014479 -0.000924698 19
5444 8 C 19.7874 16.7002 29.1718 -0.00141514 -0.00129466 0.00250094 19
5445 9 C 21.0375 16.7651 28.6088 -0.00354969 0.000828515 -0.000897933 19
5446 10 C 22.1419 16.8826 29.4288 -0.00189839 -0.00130549 -0.00435437 19
5447 11 C 22.055 16.8447 30.8642 0.00293533 0.00339529 0.00352897 19
5448 12 C 20.7832 16.8103 31.4331 0.00165925 -0.000386722 -0.00192228 19
5449 13 C 25.3101 13.5657 30.9694 0.00404875 0.00355326 0.00460874 19
5450 14 C 25.3759 13.6249 29.5915 0.00150733 -0.0022668 -0.00165022 19
5451 15 C 24.9382 14.7331 28.849 -0.00403787 -0.00224082 -0.00247005 19
5452 16 C 24.3028 15.7633 29.5664 -0.00129634 0.00100871 0.00177373 19
5453 17 C 23.5813 16.9433 28.9099 -0.00263844 0.00358648 0.00132308 19
5454 18 O 24.5901 14.5152 33.0464 2.37057e-05 0.00250674 -0.000767165 19
5455 19 O 20.6509 16.8449 32.824 0.000759792 0.000521455 0.00201308 19
5456 20 O 24.4183 19.5746 33.0489 -0.00345226 -0.00174943 -0.000526248 19
5457 21 C 24.6999 14.6098 31.67 0.00264907 0.00146754 -0.00481635 19
5458 22 C 23.8493 16.9771 27.4472 0.0044246 -0.00466506 -0.00201864 19
5459 23 C 24.2936 17.0482 26.3216 0.00143177 0.00186871 0.00150819 19
5460 24 C 25.1275 17.1338 25.1583 -0.00539127 0.000187229 0.000134872 19
5461 25 C 25.5002 18.3861 24.644 0.000507977 -0.00042406 -0.00288451 19
5462 26 C 26.5133 18.4452 23.6836 -0.0030406 -0.0015866 0.00267025 19
5463 27 C 27.0969 17.2999 23.1486 -0.00339296 -0.000692752 0.000372806 19
5464 28 C 26.7025 16.0294 23.6201 -0.000872163 -0.00516796 0.000849007 19
5465 29 C 25.7113 15.9598 24.6466 -0.00166601 0.00069807 -0.0041854 19
5466 30 C 27.8946 17.3847 21.9357 -0.000652375 0.00221633 -0.0064525 19
5467 31 C 28.3407 17.3757 20.8066 0.000147892 0.00292827 -0.00184336 19
5468 32 C 27.6993 13.5778 18.8875 0.00370172 0.0030243 0.00334508 19
5469 33 C 27.9661 13.4829 17.5014 -0.00594894 0.00219277 0.00473817 19
5470 34 C 28.2205 14.6253 16.7184 0.00177976 -0.000352892 -0.00273162 19
5471 35 C 28.2825 15.8821 17.3511 0.00228146 -0.00028018 -0.00145295 19
5472 36 C 28.0467 15.9632 18.7429 0.00205671 -9.42534e-05 0.00120655 19
5473 37 C 27.7354 14.828 19.5183 0.00164682 -0.00327149 0.00126389 19
5474 38 C 28.5198 17.3198 19.3458 0.00418799 -0.000138347 0.00457637 19
5475 39 C 32.3689 17.427 19.0285 0.00390542 0.00369085 -0.000396811 19
5476 40 C 32.4813 17.3539 17.609 0.000316198 0.00210273 0.00437566 19
5477 41 C 31.3265 17.3637 16.827 0.00183062 -0.00416183 0.0036485 19
5478 42 C 30.0939 17.3093 17.4395 0.00146205 -0.00568089 0.00145482 19
5479 43 C 29.9723 17.388 18.8622 -0.001263 -0.00615158 -0.00440007 19
5480 44 C 31.1316 17.4425 19.6645 -0.00470228 0.000904341 -0.00199372 19
5481 45 C 26.1677 20.1844 18.4145 -0.00132016 0.00306953 -0.00469673 19
5482 46 C 26.2929 20.1484 17.0147 0.0054289 -0.00582505 0.00154798 19
5483 47 C 27.1352 19.2772 16.3762 -0.00397915 0.000164301 0.00217586 19
5484 48 C 27.8621 18.3303 17.1686 0.00104007 -0.000554413 0.000225271 19
5485 49 C 28.7698 17.1725 16.6888 0.000499746 0.000417576 0.000360161 19
5486 50 C 27.7437 18.397 18.5948 -0.0013634 -0.00575264 0.00447545 19
5487 51 C 26.9489 19.3732 19.2064 0.00276102 -0.00214075 -0.00310812 19
5488 52 O 31.3905 17.5168 15.4438 0.00363186 0.00106514 -0.00133472 19
5489 53 O 28.6143 14.5377 15.3933 -0.00290766 0.000579295 -0.00159063 19
5490 54 O 27.0901 19.4392 14.9702 -0.000564138 -0.00155438 0.000771422 19
5491 55 C 23.4281 16.9732 31.5799 0.000882968 -0.00541895 0.00126086 19
5492 56 C 24.1941 15.7544 30.9724 0.000194854 0.00337864 -0.00165195 19
5493 57 C 31.3472 16.3992 14.5261 -0.000989107 0.001856 -0.00268458 19
5494 58 C 30.6044 16.9974 13.3009 -0.00078973 0.00276333 0.00037263 19
5495 59 C 31.0215 16.4676 11.9163 -0.00117176 0.00100957 0.00148729 19
5496 60 C 30.228 17.0926 10.7349 -0.00042862 0.00331933 0.0072986 19
5497 61 C 30.6823 16.5725 9.35932 0.00447459 -0.00103785 -0.00271144 19
5498 62 C 29.8714 17.259 8.25667 -0.00100839 -0.00105525 0.00323265 19
5499 63 C 30.2043 16.6439 6.87425 0.000516944 5.13365e-05 0.00270019 19
5500 64 C 31.5548 17.1934 6.29169 -0.00326328 0.00264198 -0.000954908 19
5501 65 C 31.9134 16.6261 4.88655 0.00363526 0.00463283 0.000900683 19
5502 66 C 31.0405 16.9581 3.6878 -0.000401218 0.000138379 0.00190209 19
5503 67 C 31.7252 16.3885 2.43709 0.000855253 0.00504002 0.00173203 19
5504 68 C 30.7782 16.4841 1.21056 -0.00292968 0.000878062 0.0011547 19
5505 69 F 26.8726 19.627 23.1752 -0.00275448 0.00298122 0.00365161 19
5506 70 C 28.9307 13.2513 14.7829 -0.00123282 0.00251591 0.000284773 19
5507 71 C 29.4013 13.5917 13.3836 -0.00464812 -0.00334921 -0.00335828 19
5508 72 C 29.3477 12.3607 12.3937 0.000583164 -0.00129318 -0.00314743 19
5509 73 C 29.5889 12.7963 10.9182 0.00281277 -0.00202992 9.0104e-05 19
5510 74 C 30.0853 11.717 9.96537 0.00327115 0.00138614 -0.00288721 19
5511 75 C 30.1698 12.3339 8.54021 -0.00026983 0.00145366 -0.0040017 19
5512 76 C 30.5466 11.2556 7.50524 0.00228021 0.00154851 -0.00173845 19
5513 77 C 30.9435 11.7394 6.12576 -0.00293263 0.00140395 0.00364696 19
5514 78 C 29.7672 12.212 5.22185 -0.00240385 -0.00435138 0.000783475 19
5515 79 C 29.8616 11.8889 3.67644 -0.00050877 -0.000739661 -0.0020128 19
5516 80 C 30.6885 12.9552 2.96079 -0.000507084 1.30886e-05 -0.00421577 19
5517 81 C 30.7619 12.7627 1.43714 0.000599754 0.00123642 0.000488028 19
5518 82 C 27.6406 18.7243 13.8705 0.00181888 -0.000865053 -0.00300354 19
5519 83 C 27.0642 19.4532 12.6533 0.000873137 -0.00481088 0.00095329 19
5520 84 C 27.1513 18.7315 11.2686 0.00186109 0.00485146 0.00105995 19
5521 85 C 26.0769 19.3778 10.2994 0.00207818 -0.00268104 0.000519024 19
5522 86 C 26.2559 19.0727 8.7692 -0.00376012 0.00438899 -0.00394904 19
5523 87 C 27.3262 19.9353 8.09616 0.00277454 -0.00277148 0.00307475 19
5524 88 C 27.7208 19.5809 6.62879 0.00105138 0.000389164 0.00252637 19
5525 89 C 26.5948 19.9222 5.6207 -0.000273136 0.000662115 0.00032307 19
5526 90 C 27.1767 20.1491 4.20457 0.000740308 -0.00378706 0.000389438 19
5527 91 C 28.0795 19.0158 3.61012 -0.00262718 0.00247148 -0.00153826 19
5528 92 C 27.3412 18.2468 2.50184 -0.00200085 0.00303949 0.00205057 19
5529 93 C 27.2817 19.0365 1.15452 -0.000418372 -0.000933737 0.00230563 19
5530 94 C 19.3454 16.78 33.4436 0.0026991 -0.000278568 0.00105146 19
5531 95 C 19.4 16.9891 34.9827 -0.00524133 0.000926927 0.0012555 19
5532 96 C 17.966 16.9247 35.5933 0.00261408 -0.000625121 0.00110534 19
5533 97 C 17.884 17.1269 37.1614 0.000829273 -0.00167284 0.00844756 19
5534 98 C 18.7009 16.0243 37.9284 0.00633836 0.0035123 0.00359878 19
5535 99 C 18.4015 15.893 39.4731 -0.00154796 0.00411898 0.00449559 19
5536 100 C 17.9339 17.1451 40.2271 0.000102907 0.00284114 0.00377402 19
5537 101 C 18.3699 17.1984 41.7249 -0.00183087 0.00368635 0.00118278 19
5538 102 C 17.5625 16.4946 42.8251 -0.00126931 -0.000907799 -0.00465078 19
5539 103 C 17.912 17.0794 44.2203 -0.00247173 -0.000861824 -0.00158741 19
5540 104 C 17.0431 16.5049 45.3364 -0.000881041 -0.000479097 0.00166168 19
5541 105 C 17.2672 17.2406 46.689 0.00122956 0.00123942 -0.000609822 19
5542 106 C 25.3967 20.4425 33.6813 -0.000393115 0.000338256 -0.00304009 19
5543 107 C 25.3316 20.4647 35.243 0.00362231 -9.81699e-05 -0.000558427 19
5544 108 C 25.8416 21.7726 35.8963 -0.0020489 -0.000421077 -0.00424006 19
5545 109 C 25.9113 21.7589 37.4398 0.00279348 0.00141235 0.000843281 19
5546 110 C 24.6731 21.1872 38.1451 0.00130586 0.00519243 0.00134482 19
5547 111 C 24.3733 21.7161 39.5594 0.00356099 0.000540049 0.000315456 19
5548 112 C 25.4059 21.2893 40.61 -0.00207262 -0.000820748 0.00305803 19
5549 113 C 24.9477 21.8822 41.9517 0.00119752 0.00141619 -0.00396107 19
5550 114 C 25.7518 21.364 43.1386 0.00165212 -0.000718511 -0.000544747 19
5551 115 C 25.1565 21.8955 44.4582 -0.000543829 -0.00330179 -0.000270681 19
5552 116 C 25.9391 21.5036 45.7169 0.000997531 0.000594779 -0.00121822 19
5553 117 C 25.2369 21.9129 47.0557 -0.00538416 -0.00119909 -0.0015109 19
5554 118 C 25.0002 13.3858 33.7821 0.000156428 0.00123121 -0.00229395 19
5555 119 C 25.2202 13.7333 35.2379 -0.00290503 0.00404709 -0.00657032 19
5556 120 C 25.4123 12.5303 36.2317 0.00338867 0.000257891 -0.000781574 19
5557 121 C 25.9223 13.0318 37.5882 -0.000552027 0.0028872 0.000387317 19
5558 122 C 25.8275 12.0447 38.717 0.000970544 0.00011861 -0.00113241 19
5559 123 C 26.2657 12.6253 40.0649 -0.0009045 0.0034666 -0.000851824 19
5560 124 C 25.7477 11.8187 41.3007 -0.00246119 0.00151003 -0.00240457 19
5561 125 C 26.0004 12.6436 42.5831 -0.00136545 0.000528957 -0.00247945 19
5562 126 C 25.2568 12.0004 43.7928 -0.00118857 -0.00312936 -4.02997e-05 19
5563 127 C 25.7364 12.5981 45.1444 0.00126176 -0.00296002 0.00465029 19
5564 128 C 25.0505 11.9975 46.3953 -0.000561342 0.00451924 0.00353446 19
5565 129 C 25.8782 12.2389 47.6634 0.00147394 -0.00118301 0.00175844 19
5566 130 F 24.9586 19.5252 25.1067 -0.000932668 0.0022654 -0.000877699 19
5567 131 H 25.3573 21.384 31.3923 0.0135392 -0.00760871 0.00271284 19
5568 132 H 25.6015 21.1669 28.9461 -0.00142309 -0.00400582 -0.00898115 19
5569 133 H 24.5588 19.3339 27.8013 -0.00971666 0.0105763 0.00353148 19
5570 134 H 18.6743 16.7449 31.0394 -0.00105846 -0.000920427 -0.0024065 19
5571 135 H 18.8978 16.6592 28.5501 -0.00563927 0.00782591 0.00792732 19
5572 136 H 21.1638 16.7326 27.5307 0.000984497 -0.00414791 -0.000221659 19
5573 137 H 25.751 12.7044 31.4625 -0.0154459 -0.00675572 0.00399709 19
5574 138 H 25.8789 12.8643 29.0017 -0.00510438 -0.00299791 -0.00635788 19
5575 139 H 25.0486 14.6863 27.7696 0.014981 0.0103593 -0.00105993 19
5576 140 H 27.1084 15.1108 23.2069 -0.00304457 -0.00482952 -0.00203566 19
5577 141 H 25.4189 14.9983 25.0582 0.0157153 -0.00555821 -0.00644912 19
5578 142 H 27.4574 12.7183 19.5056 -0.01004 0.000632304 -0.00534786 19
5579 143 H 28.0505 12.5082 17.0299 -0.0128646 0.00104971 0.00587249 19
5580 144 H 27.6818 14.8701 20.6022 -0.00725441 0.00594833 0.000453006 19
5581 145 H 33.2571 17.5054 19.6486 0.00682925 -0.0129427 -0.0025005 19
5582 146 H 33.4477 17.4227 17.1182 -0.00253044 0.00166105 -0.00130176 19
5583 147 H 31.1462 17.5086 20.7484 0.00525948 0.0136653 -0.00287564 19
5584 148 H 25.5134 20.8722 18.9419 0.00670491 0.0028619 0.00557167 19
5585 149 H 25.7056 20.8371 16.4147 -0.00950587 -0.0109232 0.0103121 19
5586 150 H 28.8643 17.0964 15.5985 0.0182544 -0.00460472 0.00224524 19
5587 151 H 26.8813 19.3967 20.2901 -0.00227613 -0.00197976 -0.00343313 19
5588 152 H 23.3234 16.9549 32.6718 0.0156359 0.0124846 0.00294036 19
5589 153 H 32.3891 16.1308 14.3118 0.00120059 -0.00657017 0.0184551 19
5590 154 H 30.7834 15.5387 14.9071 0.00526332 0.00346925 0.0101855 19
5591 155 H 30.7446 18.0853 13.3081 -0.00856941 0.00370524 0.0102665 19
5592 156 H 29.5322 16.8126 13.4407 -0.000379615 -0.0013386 -0.00191885 19
5593 157 H 30.8071 15.3919 11.9023 -0.0120794 0.0031208 0.00517844 19
5594 158 H 32.104 16.608 11.8075 -0.00463529 0.0196412 -0.0088724 19
5595 159 H 30.416 18.173 10.7622 0.00800071 0.00204851 0.000117078 19
5596 160 H 29.165 16.8613 10.8762 0.000391398 0.00149356 0.0105014 19
5597 161 H 30.5506 15.4847 9.30668 -0.00513094 0.000666655 -0.013811 19
5598 162 H 31.7497 16.8037 9.25636 0.00738249 -0.0103813 0.00637049 19
5599 163 H 30.0409 18.3399 8.17705 -0.00150496 -0.00127214 -0.000890529 19
5600 164 H 28.7924 17.1203 8.39772 -0.0041391 -0.00501796 -0.0241711 19
5601 165 H 29.4307 16.9872 6.17639 0.0022186 -0.00527016 -0.00179267 19
5602 166 H 30.2185 15.5477 6.91299 -0.00464083 0.000133794 0.00681844 19
5603 167 H 32.3708 16.9134 6.96933 -0.00450657 0.00769873 0.00262769 19
5604 168 H 31.5331 18.2899 6.26775 0.0118439 0.0028055 -0.0066891 19
5605 169 H 31.9432 15.5309 4.94112 0.0111645 0.00454466 -0.00474782 19
5606 170 H 32.93 16.9176 4.59503 0.0031728 0.017899 0.0126565 19
5607 171 H 30.9711 18.0523 3.65065 0.00195537 -8.47429e-05 -0.00856684 19
5608 172 H 30.0057 16.61 3.79484 0.0012543 -0.00644329 -0.00360245 19
5609 173 H 32.0042 15.3386 2.58975 -0.000392795 0.00439643 -0.000398043 19
5610 174 H 32.6072 17.0097 2.23789 0.00354897 -0.00136 -0.00623189 19
5611 175 H 31.3182 16.259 0.282595 0.00797132 0.00167904 0.00730441 19
5612 176 H 30.3259 17.4825 1.16485 -0.00376941 0.000379086 -0.00133972 19
5613 177 H 30.0124 15.7082 1.33316 -0.00433144 0.00272549 0.00407647 19
5614 178 H 29.7009 12.6703 15.3052 0.000662407 0.00315515 -0.00179453 19
5615 179 H 28.0688 12.5761 14.7141 -0.0104257 0.0148762 -0.00549979 19
5616 180 H 28.8092 14.3964 12.9306 0.00539121 0.00696364 0.00183659 19
5617 181 H 30.402 14.0377 13.4382 -0.00421762 -0.00432641 -0.0032987 19
5618 182 H 30.0807 11.5993 12.6876 0.00816849 0.00988121 0.0068772 19
5619 183 H 28.3563 11.8951 12.4557 0.000367749 -0.00065667 -0.00182316 19
5620 184 H 28.6003 13.0721 10.531 0.0114535 0.00598021 -0.0161749 19
5621 185 H 30.2558 13.6623 10.8259 -0.000773583 -0.000467212 -0.0111616 19
5622 186 H 31.0522 11.3236 10.3027 0.0037217 0.00592513 0.00111006 19
5623 187 H 29.4313 10.8369 9.99764 -0.0022241 0.00565312 0.00182558 19
5624 188 H 29.1916 12.7475 8.26531 -0.000787134 -0.00343678 -0.00953872 19
5625 189 H 30.9291 13.1246 8.499 -0.0114134 0.0115626 -0.0151861 19
5626 190 H 31.3085 10.597 7.94022 0.00235775 0.00216055 -0.000949773 19
5627 191 H 29.7079 10.5517 7.43664 -0.0125663 0.0198663 -0.00768689 19
5628 192 H 31.6993 12.5269 6.23561 0.00147385 -0.00445556 0.0153948 19
5629 193 H 31.444 10.8981 5.63071 0.00595739 0.00301567 0.00988822 19
5630 194 H 28.8288 11.7728 5.58244 0.0030235 -0.0126109 0.00482662 19
5631 195 H 29.6786 13.2956 5.36801 0.00774079 -0.00345837 0.000367165 19
5632 196 H 30.3005 10.8941 3.53051 0.00393174 0.000835882 0.000586065 19
5633 197 H 28.8742 11.8767 3.19873 -0.0011174 0.000166904 -0.000776445 19
5634 198 H 30.1768 13.909 3.13885 0.00477355 0.00150394 0.00295855 19
5635 199 H 31.6754 13.0681 3.42634 -0.00368108 0.00188206 0.00208068 19
5636 200 H 31.5444 13.4149 1.0301 0.00722297 -0.00142502 0.00892414 19
5637 201 H 31.0765 11.7409 1.19131 -0.0186372 -0.00310501 -0.00595796 19
5638 202 H 29.7998 12.9968 0.964922 -0.00121334 -0.00967656 -0.00122537 19
5639 203 H 28.7333 18.8162 13.9042 0.00168962 0.00169241 -0.00575357 19
5640 204 H 27.2769 17.6895 13.8878 -0.010688 0.00363982 0.00486282 19
5641 205 H 26.0176 19.7485 12.7978 0.00614295 0.00633648 0.0161286 19
5642 206 H 27.6456 20.3797 12.5698 -0.00729624 0.000846757 0.00706975 19
5643 207 H 28.1589 18.8702 10.8575 0.00295198 -0.00375086 0.000822237 19
5644 208 H 27.018 17.6481 11.3776 0.00739097 0.00501418 0.00948784 19
5645 209 H 25.0913 19.0192 10.6208 -0.000629138 2.53601e-05 -0.00477428 19
5646 210 H 26.067 20.4645 10.4491 0.000505019 -0.00219256 -0.00314691 19
5647 211 H 26.4957 18.0143 8.60889 0.00631036 0.00543027 0.00424713 19
5648 212 H 25.2992 19.2306 8.25613 -0.0139824 -0.0105293 0.010475 19
5649 213 H 27.0372 20.9909 8.17016 -3.48821e-05 -0.00256849 -0.0107292 19
5650 214 H 28.2652 19.7691 8.63848 0.0104144 0.0125292 -0.00546099 19
5651 215 H 28.6375 20.1394 6.40257 -0.000260289 0.000735449 -0.00189817 19
5652 216 H 27.9324 18.5049 6.65762 -0.018349 -0.00331804 0.0076795 19
5653 217 H 25.8818 19.0886 5.63787 -0.0083058 0.00771805 0.00988865 19
5654 218 H 26.0212 20.789 5.97139 0.00224455 0.00172339 0.00181243 19
5655 219 H 26.3717 20.3656 3.49138 0.00916679 -0.00238783 -0.00871687 19
5656 220 H 27.7582 21.0785 4.24005 -0.00953129 0.00248824 0.00455603 19
5657 221 H 28.9961 19.4839 3.23025 -0.00233505 -0.0027971 -0.00729265 19
5658 222 H 28.3829 18.3299 4.4107 -0.00291138 0.00858545 0.00381987 19
5659 223 H 27.8167 17.2916 2.24681 0.00385937 0.00286861 0.0137599 19
5660 224 H 26.3292 17.9758 2.8271 -0.0020296 0.00275132 0.00172276 19
5661 225 H 26.6967 18.509 0.391005 -0.00721935 0.000397285 0.00660928 19
5662 226 H 26.8055 20.0192 1.25859 -0.00172975 0.000324636 -0.0155746 19
5663 227 H 28.2885 19.0298 0.718907 -0.00299047 0.0162705 -0.00377095 19
5664 228 H 18.7382 17.5849 33.0113 -0.0251474 -0.0158232 0.0113136 19
5665 229 H 18.8853 15.8017 33.2574 0.00419303 -0.00211704 0.00697509 19
5666 230 H 20.0815 16.2922 35.486 0.00438232 0.00839482 -0.00145622 19
5667 231 H 19.7693 18.0133 35.1168 -0.00548758 0.00138872 -0.0015665 19
5668 232 H 17.289 17.6671 35.1529 0.009647 0.00450412 -0.00104383 19
5669 233 H 17.5323 15.9605 35.3005 0.00545087 -0.00371146 0.00706643 19
5670 234 H 18.3271 18.0929 37.4334 0.0149625 -0.00746723 0.00604803 19
5671 235 H 16.8361 17.1661 37.4836 0.000117698 0.00618901 0.00519415 19
5672 236 H 18.4381 15.0666 37.4625 -0.000801841 0.00214684 0.0103961 19
5673 237 H 19.7704 16.2512 37.8393 0.00313557 0.0137868 -0.00862326 19
5674 238 H 17.6376 15.1264 39.653 0.00711275 -0.00199574 0.0153275 19
5675 239 H 19.2757 15.4825 39.9934 0.00383993 0.0116669 0.00137653 19
5676 240 H 18.2772 18.0581 39.7251 -0.005671 -0.00268072 -0.010211 19
5677 241 H 16.8406 17.1384 40.1376 0.000316999 -0.00987955 0.00196979 19
5678 242 H 19.4054 16.8509 41.8269 -0.00182263 -0.000515466 -0.0131993 19
5679 243 H 18.3547 18.2648 41.9818 -0.0117635 0.00419699 -0.00151039 19
5680 244 H 16.4911 16.6348 42.6355 -0.0027846 -0.00121909 0.00368885 19
5681 245 H 17.7008 15.4084 42.7575 0.00179843 -0.00101019 0.00354538 19
5682 246 H 18.9762 16.9369 44.4451 -0.00311463 -0.00308742 4.91603e-05 19
5683 247 H 17.685 18.1518 44.1771 -0.0063049 -0.00139003 0.00539098 19
5684 248 H 15.9799 16.6275 45.0955 -0.00228947 0.00533956 0.0107744 19
5685 249 H 17.21 15.4314 45.4887 -0.00586174 -0.000772446 0.00511565 19
5686 250 H 18.2701 17.0625 47.0965 -0.00119915 -0.000467998 0.00463918 19
5687 251 H 17.0552 18.3161 46.6475 0.00335027 0.00198665 0.0077663 19
5688 252 H 16.5973 16.8165 47.4471 -0.00757639 0.0067731 -0.00530992 19
5689 253 H 26.3872 20.0518 33.4173 -0.00233629 -0.000243752 -0.00945448 19
5690 254 H 25.2428 21.4383 33.2476 -0.00227432 0.00502014 0.00850389 19
5691 255 H 24.2633 20.3632 35.4709 0.00245804 0.00589716 -0.00327585 19
5692 256 H 25.9286 19.6557 35.6818 0.00685936 0.00370325 0.00205876 19
5693 257 H 26.8115 22.0678 35.4771 0.0014456 -0.00587695 5.61131e-06 19
5694 258 H 25.1513 22.5453 35.5358 -0.00380328 0.00201096 0.00437883 19
5695 259 H 26.7895 21.1792 37.7497 0.00713522 0.00212472 -0.0100976 19
5696 260 H 26.0538 22.7977 37.7625 -0.00659853 0.00579474 -0.0090723 19
5697 261 H 23.7895 21.4065 37.5331 0.00700955 0.00385191 -0.00737368 19
5698 262 H 24.7796 20.0966 38.1963 0.00383088 0.00441054 -0.0208779 19
5699 263 H 24.3087 22.8078 39.4729 -0.0059448 9.63752e-05 0.00176033 19
5700 264 H 23.4141 21.3368 39.9328 0.00384169 -0.0026614 -0.00223157 19
5701 265 H 25.4739 20.1976 40.6935 -0.000932209 -0.00119072 -0.00272612 19
5702 266 H 26.3985 21.6852 40.3623 -4.7221e-05 -0.00611645 0.00272704 19
5703 267 H 24.9803 22.9786 41.9358 -0.0019139 0.00174478 0.0110233 19
5704 268 H 23.8958 21.6485 42.1569 0.000261757 -0.000168023 -0.010615 19
5705 269 H 25.7384 20.2679 43.0969 -0.000236546 5.48382e-05 -0.0210503 19
5706 270 H 26.8014 21.6454 42.9886 -0.00310178 0.0158071 -0.00271802 19
5707 271 H 25.0456 22.986 44.4158 -0.00696116 -0.00439484 -0.0115897 19
5708 272 H 24.1395 21.4979 44.5634 -0.00302706 -0.000781405 -0.0147628 19
5709 273 H 26.115 20.4209 45.7095 0.0220968 0.00407935 -0.012681 19
5710 274 H 26.9443 21.9421 45.6901 -0.00205849 0.00775023 0.00134139 19
5711 275 H 24.1509 22.0612 47.0119 -0.00495088 0.00194882 -0.00173372 19
5712 276 H 25.4102 21.1882 47.8607 -0.0256023 -0.00690331 -0.00228856 19
5713 277 H 25.6005 22.8988 47.3706 -0.0146062 0.00436756 -0.00825956 19
5714 278 H 24.2283 12.6139 33.6733 0.00603009 -0.00559538 0.00455416 19
5715 279 H 25.9872 13.0192 33.474 0.000660456 0.00694059 -0.0074513 19
5716 280 H 24.3363 14.3111 35.5349 -0.00800621 -0.00815609 0.00198298 19
5717 281 H 26.0574 14.4346 35.3417 0.00278424 -0.00478708 0.007242 19
5718 282 H 26.1177 11.8087 35.8013 1.32889e-06 -0.00424605 0.00122994 19
5719 283 H 24.4564 12.0163 36.3909 0.0016745 0.00240135 -0.00415703 19
5720 284 H 25.3248 13.9155 37.8437 0.00142618 0.00285155 0.00511799 19
5721 285 H 26.971 13.3262 37.4576 0.00182753 -0.00778998 -0.00469723 19
5722 286 H 26.4807 11.1822 38.5353 0.00172077 0.00247357 -0.00954228 19
5723 287 H 24.8075 11.6438 38.7636 0.00108714 -0.00102161 -0.00832944 19
5724 288 H 25.8511 13.6293 40.2185 -0.0162802 -0.00258415 -0.00260479 19
5725 289 H 27.3595 12.666 40.1379 -0.00293662 0.0160023 0.022929 19
5726 290 H 26.3287 10.8916 41.3802 -0.00326069 0.00155994 0.00405371 19
5727 291 H 24.6835 11.5555 41.259 -0.000454135 -0.00754233 0.00338096 19
5728 292 H 25.6643 13.6785 42.4433 0.016965 0.00720334 0.00294316 19
5729 293 H 27.0685 12.6446 42.8335 5.19168e-05 -0.00636034 -0.00852331 19
5730 294 H 25.5342 10.939 43.7948 -0.00128701 -0.00314192 0.00724083 19
5731 295 H 24.1694 12.1051 43.6932 0.000800689 0.0131317 -0.0047398 19
5732 296 H 25.5807 13.6838 45.1653 0.0035011 -0.00248478 -0.0033302 19
5733 297 H 26.826 12.4808 45.1928 0.00175026 -0.00200099 -0.00384086 19
5734 298 H 24.9235 10.9195 46.237 -0.00325999 0.00427969 0.00735682 19
5735 299 H 24.0614 12.441 46.5642 -0.00463077 -0.00197712 -0.00327436 19
5736 300 H 26.8323 11.7001 47.7163 0.00534871 0.00614036 0.00684778 19
5737 301 H 25.346 11.9284 48.571 -0.00187946 -0.00399311 -0.00117857 19
5738 302 H 26.1167 13.3022 47.7896 -0.00470913 0.000964523 -0.00472188 19
5739 1 C 29.1484 27.2517 31.4926 0.0073548 -0.00448655 -0.00082912 20
5740 2 C 29.4018 27.2009 30.1163 0.00150754 -0.000345227 -0.00543797 20
5741 3 C 28.9383 26.114 29.4048 -0.00563107 0.00540979 -0.000294052 20
5742 4 C 28.2425 25.0645 30.046 -0.000231106 0.00247677 -0.00151945 20
5743 5 C 28.0574 25.11 31.4393 0.00338875 -0.00151681 -0.00408256 20
5744 6 C 28.4636 26.2357 32.1579 -0.00158914 -0.000436446 -0.00292861 20
5745 7 C 23.5926 23.9609 30.7205 -0.000929954 0.00129891 0.00308193 20
5746 8 C 23.7746 23.9382 29.339 0.00109515 -0.00313915 0.00274689 20
5747 9 C 25.0648 23.8788 28.8128 -0.00224837 -0.00146821 -0.00185814 20
5748 10 C 26.1559 23.8789 29.7047 -0.000268726 -0.0031711 0.00136624 20
5749 11 C 25.9567 23.9053 31.0917 0.00164204 -0.00204355 0.00169893 20
5750 12 C 24.635 23.8669 31.628 -0.00398849 0.00413895 0.00271383 20
5751 13 C 29.1559 20.5269 31.4247 -0.00105475 0.00103531 8.48331e-05 20
5752 14 C 29.2299 20.4663 30.0374 -0.00360873 -0.000148983 -0.000233493 20
5753 15 C 28.6727 21.5193 29.3033 0.00091829 0.00181646 -0.00342311 20
5754 16 C 28.1376 22.6425 29.99 0.00140799 0.000819589 0.00127065 20
5755 17 C 27.6436 23.9015 29.2962 0.000762983 -5.80788e-05 -0.00353721 20
5756 18 O 28.5007 21.4622 33.5525 -0.000609792 0.0010639 -0.000487693 20
5757 19 O 24.3823 23.9056 32.9772 -0.00218439 5.17575e-05 0.00114063 20
5758 20 O 28.1467 26.4249 33.4946 -0.00196177 0.000535566 0.000356163 20
5759 21 C 28.5109 21.5588 32.1404 0.00233104 -0.000946152 -0.00408103 20
5760 22 C 27.9436 23.91 27.8523 -0.00134311 -0.00104535 -0.000494876 20
5761 23 C 28.4669 23.9324 26.7525 0.00476459 -0.000740476 -0.000930775 20
5762 24 C 29.229 23.9606 25.5251 0.00586785 -0.000921985 0.00236884 20
5763 25 C 29.8829 22.7886 25.1528 0.00410702 -0.00246746 0.00150727 20
5764 26 C 30.7143 22.8096 24.0265 0.000786475 -0.000213104 0.00237495 20
5765 27 C 30.9634 23.9956 23.356 -0.00131973 -0.000668779 -0.000402909 20
5766 28 C 30.3273 25.1862 23.7804 -0.00433915 -0.000250646 -0.00457647 20
5767 29 C 29.4253 25.1751 24.8356 0.00064571 -0.00441283 0.00138746 20
5768 30 C 31.6893 24.0184 22.1428 4.40478e-05 -0.00237206 0.0010294 20
5769 31 C 32.1293 24.0533 21.0063 -0.00108742 -0.000373852 0.00136939 20
5770 32 C 30.4971 20.7522 18.7094 -0.000854896 0.000218132 0.00439725 20
5771 33 C 30.6707 20.7841 17.3095 -0.00340472 0.00499588 -0.00169988 20
5772 34 C 31.3107 21.8638 16.6698 -0.00273349 0.00239122 -0.00264186 20
5773 35 C 31.9276 22.8604 17.4605 -0.00102533 0.00243704 -0.00284556 20
5774 36 C 31.7417 22.8411 18.8543 -0.0012683 0.0014583 -0.00446394 20
5775 37 C 31.0107 21.7946 19.4727 -0.00141641 -0.00201777 -0.0040394 20
5776 38 C 32.4176 24.032 19.5734 0.00244659 0.0041885 -0.000517037 20
5777 39 C 36.3016 23.8457 19.4472 -0.00091537 -1.86869e-05 -0.0012975 20
5778 40 C 36.4823 23.8478 18.0581 -0.00234564 -0.000899215 0.00182706 20
5779 41 C 35.3874 23.9016 17.1803 0.00378534 0.00205499 -0.00185863 20
5780 42 C 34.1049 23.934 17.7513 0.00408404 -0.000446954 -0.00382963 20
5781 43 C 33.9134 23.9345 19.1236 -0.00207302 0.00616802 -0.00052747 20
5782 44 C 35.0081 23.8985 19.9988 0.000807681 0.00389863 0.0022362 20
5783 45 C 31.2281 27.6188 18.6622 -0.00323448 -0.00258787 0.000795694 20
5784 46 C 31.5944 27.6482 17.3349 -0.00197327 0.000291581 0.00110812 20
5785 47 C 32.1492 26.5075 16.7199 0.00128784 -0.00312051 -0.0023758 20
5786 48 C 32.2128 25.3239 17.4543 -0.00323145 0.00359506 0.00287966 20
5787 49 C 32.8095 23.9902 16.9512 -0.00320453 -0.00150737 -0.000250549 20
5788 50 C 32.0011 25.3345 18.8475 -0.00160037 -0.00091939 -0.00153981 20
5789 51 C 31.4958 26.5114 19.4845 0.00496611 -0.00382304 -0.0025044 20
5790 52 O 35.5318 24.0419 15.817 -0.00149888 -0.00135978 -0.00268878 20
5791 53 O 31.409 22.0298 15.3017 0.0022973 0.000687728 0.00632791 20
5792 54 O 32.5952 26.5672 15.3688 0.000974888 -0.00141185 -0.00246686 20
5793 55 C 27.243 23.9113 31.9593 0.00301528 -0.00346874 -0.0038066 20
5794 56 C 28.0474 22.6559 31.3998 -0.00213859 -0.00210426 -0.00173454 20
5795 57 C 36.205 23.0449 15.0475 -0.00169862 0.00157035 0.00234906 20
5796 58 C 35.2097 22.3236 14.1427 -0.000517994 0.00334834 0.00210165 20
5797 59 C 35.0378 22.7618 12.6986 -0.00131498 0.000746807 0.00583443 20
5798 60 C 33.9969 23.8324 12.4215 0.00134151 0.00118887 0.00506689 20
5799 61 C 33.4187 23.8522 10.9502 0.000317679 0.00387459 0.003949 20
5800 62 C 34.4694 23.5605 9.80548 -0.00117988 0.00210741 -0.00517737 20
5801 63 C 33.8159 23.5514 8.41447 -0.00180381 0.00146622 -0.00142366 20
5802 64 C 34.8266 23.4716 7.2542 -5.9307e-05 -0.00172058 0.000226652 20
5803 65 C 34.0508 23.3617 5.88192 0.0011081 -0.00300865 -0.00367515 20
5804 66 C 34.9845 23.4004 4.65126 0.000559775 0.00015297 0.00270795 20
5805 67 C 34.1833 23.6399 3.35163 0.000405823 0.00149241 0.00393112 20
5806 68 C 35.0867 23.6942 2.11183 0.00200573 0.00417477 0.00213166 20
5807 69 F 31.3193 21.6405 23.646 0.0049306 -0.0032563 0.00294498 20
5808 70 C 30.9812 21.0234 14.3914 -0.00165159 -0.000846103 -0.00495344 20
5809 71 C 31.0537 21.6144 13.004 5.3015e-05 -0.00173537 -0.000100491 20
5810 72 C 30.5808 20.6458 11.9331 -0.00449104 0.00287788 -0.00176517 20
5811 73 C 30.1011 21.3575 10.6653 0.000696621 -0.00463853 0.00133297 20
5812 74 C 30.9481 21.0084 9.44389 0.00306401 -0.00497186 -0.000307844 20
5813 75 C 30.4512 21.7282 8.19597 -0.000635871 0.000662515 0.000646552 20
5814 76 C 31.0506 21.1865 6.89493 -0.00526695 -0.00369132 0.00329919 20
5815 77 C 30.6914 21.9154 5.61517 0.00130377 -0.00348974 0.00240772 20
5816 78 C 31.2474 21.2384 4.32939 -0.000877947 0.00050925 -0.00218516 20
5817 79 C 30.8625 22.073 3.06943 0.000521273 -0.00136261 -0.000271246 20
5818 80 C 31.5218 21.6138 1.74227 0.000378554 0.000745497 -0.0027873 20
5819 81 C 30.8636 20.3727 1.1752 -0.000961845 0.00129186 0.000271291 20
5820 82 C 32.7637 27.8163 14.684 0.00362403 0.00104142 -0.00280728 20
5821 83 C 33.2093 27.5366 13.2415 -0.000487623 -0.0034077 0.00213094 20
5822 84 C 33.6102 28.8076 12.4548 0.00315492 -0.00137542 -0.00181703 20
5823 85 C 33.6278 28.6097 10.8963 0.00123847 0.000914562 -0.00192189 20
5824 86 C 34.7169 27.6693 10.4271 0.000600977 0.00207162 0.00338989 20
5825 87 C 34.4141 27.0877 9.02843 -0.00286247 -0.00447625 -0.00142449 20
5826 88 C 34.3445 28.0729 7.84761 0.000349509 -0.00252412 0.00158606 20
5827 89 C 33.3408 27.5199 6.7681 -0.0036475 -0.000144921 0.00146891 20
5828 90 C 33.4832 28.047 5.32679 0.00104258 -0.00103183 -0.000202606 20
5829 91 C 34.7383 27.5326 4.61984 -0.00083832 2.86864e-05 0.00123606 20
5830 92 C 34.4778 27.3488 3.12407 -0.0022799 -0.003729 0.00095965 20
5831 93 C 34.1787 28.69 2.39751 -0.000816725 0.000664867 -0.00156083 20
5832 94 C 23.2126 23.4113 33.6077 -3.648e-05 -4.3789e-05 0.00107763 20
5833 95 C 23.0372 24.0864 34.9693 -0.00652998 0.0026517 0.00426434 20
5834 96 C 22.1934 23.2708 35.95 -0.00237753 0.000590942 -0.00307581 20
5835 97 C 22.1194 23.8938 37.3396 -0.00123828 -0.000216137 -0.00146596 20
5836 98 C 21.0757 23.1708 38.208 0.00417591 -0.000221473 0.00302225 20
5837 99 C 20.9021 23.8228 39.6071 -4.98207e-05 -0.000531264 -0.000973916 20
5838 100 C 21.7985 23.3724 40.762 -0.00060352 -0.00217131 0.000953965 20
5839 101 C 21.39 24.1048 42.0402 0.00144064 -0.00225328 -0.00369681 20
5840 102 C 22.039 23.4873 43.2619 5.54054e-05 0.00308889 -0.00401842 20
5841 103 C 21.5116 24.0898 44.5799 0.00151125 -3.05655e-05 -0.00104203 20
5842 104 C 22.2229 23.5727 45.7877 -0.00197401 0.000872143 0.00304044 20
5843 105 C 21.6862 24.1958 47.0812 -0.000705992 -0.00236654 0.00512339 20
5844 106 C 28.7479 27.5003 34.206 0.000569101 0.0015195 -0.000892698 20
5845 107 C 28.3191 27.5843 35.704 -0.000627869 0.000635132 0.00249108 20
5846 108 C 29.485 28.11 36.6024 -0.00195745 0.00207766 0.0052333 20
5847 109 C 29.1524 28.0938 38.0876 -0.0022642 0.000248323 -0.00224783 20
5848 110 C 30.38 28.3833 38.9447 0.000135628 -0.00333184 -0.0028745 20
5849 111 C 30.3191 27.7383 40.3449 -0.00309354 -0.00299672 -0.000849468 20
5850 112 C 29.2875 28.3763 41.3465 -0.000258713 -0.00057804 0.00332213 20
5851 113 C 29.2604 27.7308 42.7779 -0.00233778 -0.00354808 0.00140661 20
5852 114 C 30.3158 28.2117 43.7805 -0.00118651 -0.0047528 -0.00112692 20
5853 115 C 30.0175 27.6141 45.1631 -0.00101387 -0.000476337 0.00110968 20
5854 116 C 30.5967 28.3963 46.3525 0.00124091 0.00123479 0.00125282 20
5855 117 C 29.6852 29.6056 46.7231 -0.00481813 -0.00121051 0.00246361 20
5856 118 C 29.0767 20.2969 34.1978 -0.00199047 0.0013192 0.00162928 20
5857 119 C 29.0915 20.4017 35.7206 0.00150575 -0.0020015 0.00250213 20
5858 120 C 29.5965 19.1018 36.3605 -0.000240963 0.00254089 0.00119707 20
5859 121 C 30.187 19.1696 37.7472 -0.00330804 0.000633163 0.00324281 20
5860 122 C 29.2888 19.827 38.8421 -0.0028388 -5.32687e-05 -0.00253234 20
5861 123 C 29.7634 19.247 40.1978 -0.00267227 0.00652559 -0.00155496 20
5862 124 C 28.9812 19.6542 41.4398 0.00208754 0.00154559 -0.00115949 20
5863 125 C 29.5164 18.992 42.7114 -0.00224151 -0.0020615 0.00103594 20
5864 126 C 28.8387 19.4797 43.9964 0.000550754 0.00382181 0.00181676 20
5865 127 C 29.5482 18.7851 45.2066 -0.00269447 -0.000851637 -0.0022141 20
5866 128 C 28.9522 19.3354 46.5106 -0.00685321 0.00150346 0.00336853 20
5867 129 C 29.808 18.9816 47.732 -0.00113405 -0.0010436 -0.0030138 20
5868 130 F 29.7318 21.6278 25.8283 -0.00179728 -0.00177763 -0.00492621 20
5869 131 H 29.5424 28.1153 32.0201 0.0192206 -0.003496 -0.0113118 20
5870 132 H 29.9872 27.996 29.6642 0.00136485 0.00233628 -0.000933921 20
5871 133 H 29.16 26.1231 28.3418 0.0115668 0.00401282 0.00326746 20
5872 134 H 22.5597 24.0049 31.0532 -0.00062457 0.00986838 0.00288846 20
5873 135 H 22.9163 23.9458 28.6736 -0.0037002 0.00343076 0.00901441 20
5874 136 H 25.1765 23.8739 27.7326 -3.32846e-05 -0.00694158 -0.00159986 20
5875 137 H 29.5181 19.6568 31.9644 -0.0166722 -0.01017 -0.0074741 20
5876 138 H 29.6796 19.6144 29.5358 -0.0079049 -0.00355483 0.00169704 20
5877 139 H 28.6724 21.4482 28.2197 -0.0152605 -0.00842702 -0.00275927 20
5878 140 H 30.5238 26.0881 23.2083 -0.00224786 0.00327792 0.00172317 20
5879 141 H 28.9949 26.112 25.1766 -0.00412914 -0.00217517 -0.0108055 20
5880 142 H 29.9223 19.9826 19.2161 -0.0136732 0.0056728 -0.00185121 20
5881 143 H 30.2508 19.9836 16.7076 0.0067298 -0.00736023 0.00766427 20
5882 144 H 30.8526 21.7664 20.5467 0.0062627 -0.00830291 -0.00307355 20
5883 145 H 37.1399 23.7674 20.1331 0.0127382 0.00661696 -0.0172849 20
5884 146 H 37.5063 23.8991 17.7002 -0.00318817 0.000656234 -0.00034477 20
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5886 148 H 30.8127 28.4936 19.1536 -0.000541222 -0.00671877 0.0104724 20
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6006 268 H 29.4229 26.6501 42.6831 -0.00542803 -0.00438322 0.00567774 20
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6025 287 H 29.3196 20.9215 38.7756 -0.00901382 0.00125686 0.0162852 20
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6033 295 H 28.8801 20.5727 44.0811 0.0090718 0.00316137 0.00603707 20
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6037 299 H 28.9027 20.4292 46.4427 -0.00707611 0.00204352 0.0122292 20
6038 300 H 30.8162 19.3463 47.4995 0.00781528 -0.0204125 0.00552615 20
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6042 2 C 33.3723 20.0936 29.3452 0.00335509 -0.00103189 -0.000719229 21
6043 3 C 32.7538 19.0195 28.6938 -0.00437322 0.004037 0.00460021 21
6044 4 C 32.0637 18.0489 29.4444 0.00264805 -0.000567615 -0.00021739 21
6045 5 C 31.9565 18.1554 30.8344 -0.00267998 -0.00314823 -0.00153659 21
6046 6 C 32.5502 19.2608 31.4861 0.000506107 0.00144666 -0.00225457 21
6047 7 C 27.3987 17.2176 30.3832 -0.0021288 0.00499791 0.00226625 21
6048 8 C 27.5542 17.1107 29.0012 0.00455836 -0.000605035 0.000997539 21
6049 9 C 28.8268 17.0421 28.4174 0.00105371 -0.000453219 0.00197461 21
6050 10 C 29.9227 17.0373 29.2797 -0.00325769 -0.00220943 -0.000544687 21
6051 11 C 29.7694 17.1193 30.7216 -0.00359612 0.00423685 0.000183042 21
6052 12 C 28.4943 17.231 31.2932 -0.000421349 -0.00133554 0.000504726 21
6053 13 C 32.8491 13.5742 31.0734 -0.00100136 0.00190833 0.00147781 21
6054 14 C 32.8398 13.4504 29.6928 0.00197712 0.00180796 -0.000989633 21
6055 15 C 32.3954 14.5111 28.924 -0.00390557 0.00241259 -0.00230049 21
6056 16 C 31.8737 15.6506 29.5478 -0.00134265 -0.00261099 -0.00434108 21
6057 17 C 31.3542 16.8925 28.8122 -0.00203969 0.00200936 0.0041008 21
6058 18 O 32.1999 14.7845 33.1067 0.00284745 -0.000299026 0.00225304 21
6059 19 O 28.2894 17.1849 32.6755 -0.00226149 0.00269613 0.000297279 21
6060 20 O 32.4269 19.4558 32.8503 0.000614502 0.00199962 -0.0012389 21
6061 21 C 32.2877 14.6778 31.7328 -0.00106606 -0.00601232 0.00198052 21
6062 22 C 31.6146 16.7925 27.3689 -0.00106585 0.000860653 0.00572493 21
6063 23 C 32.1437 16.7551 26.2907 0.00186453 0.000259613 -0.00177283 21
6064 24 C 32.9372 16.7837 25.1113 0.00248478 -0.00149768 0.000295236 21
6065 25 C 33.8303 15.735 24.8935 -0.0052234 0.000682848 -0.00015656 21
6066 26 C 34.8279 15.9491 23.9599 0.000799793 0.00220825 0.000199251 21
6067 27 C 34.8971 17.1765 23.2616 -0.00456353 0.000993686 -0.00345132 21
6068 28 C 34.0138 18.2183 23.5185 0.00209954 0.000735641 0.00346309 21
6069 29 C 33.0334 18.0423 24.4852 0.00399821 0.00148869 0.00284451 21
6070 30 C 35.7556 17.2822 22.1391 0.000273906 0.00421822 0.000543017 21
6071 31 C 36.2519 17.2832 21.0336 -0.000346988 0.00159246 0.00331587 21
6072 32 C 35.0108 13.7402 18.9435 0.00379809 0.000576707 -0.00028794 21
6073 33 C 35.1476 13.7375 17.5391 -0.00350331 0.00122195 0.00087902 21
6074 34 C 35.6264 14.8575 16.8164 0.000463004 -0.00162265 -0.00272312 21
6075 35 C 36.0066 15.986 17.5365 0.000637869 -0.000792879 0.00057557 21
6076 36 C 35.9199 16.0244 18.9567 0.0016472 -0.00456334 0.0028281 21
6077 37 C 35.421 14.8765 19.6436 0.00031782 0.00187674 -0.0025536 21
6078 38 C 36.4715 17.2697 19.5648 -0.00242605 -0.00444353 0.00211461 21
6079 39 C 40.3019 17.1553 19.3021 0.00152394 -0.00275586 0.00157207 21
6080 40 C 40.3872 17.3481 17.8996 0.0016437 0.000879535 -0.000299088 21
6081 41 C 39.2479 17.4407 17.1254 -0.0012241 0.00183028 0.00348214 21
6082 42 C 37.995 17.3204 17.7163 0.00205636 0.00038608 0.00362128 21
6083 43 C 37.9139 17.2707 19.1027 -0.00137828 -0.0018363 0.000157806 21
6084 44 C 39.0531 17.0758 19.8997 0.00281777 -0.000986272 -0.00330816 21
6085 45 C 34.3988 20.4724 18.7476 -0.00548795 0.00440235 -0.00118682 21
6086 46 C 34.5364 20.4363 17.3318 0.00256471 0.00149048 0.00309702 21
6087 47 C 35.2593 19.4115 16.682 -0.00480974 0.00412053 0.000899468 21
6088 48 C 35.8759 18.4325 17.4712 0.00107155 0.00140578 -9.4589e-05 21
6089 49 C 36.673 17.2188 16.9195 0.00266177 -5.00312e-05 -0.000289351 21
6090 50 C 35.724 18.4219 18.8731 8.33113e-05 0.00242222 0.00272766 21
6091 51 C 35.0418 19.4706 19.5305 -0.00414961 0.000681887 0.00278443 21
6092 52 O 39.3051 17.7375 15.7626 0.000129506 -0.00149776 -0.00152963 21
6093 53 O 35.7831 14.7745 15.4582 0.00333625 -0.00243447 -0.00234335 21
6094 54 O 35.2411 19.2998 15.3269 0.00140083 0.00168638 0.00042418 21
6095 55 C 31.0912 17.0612 31.4954 -0.00149756 -0.00139022 0.00481456 21
6096 56 C 31.7281 15.7039 30.9711 -0.00129239 -0.000111426 0.00387094 21
6097 57 C 39.6231 16.6643 14.8877 -0.00608916 0.00126833 -0.00335538 21
6098 58 C 38.7317 16.6816 13.6517 1.2343e-05 0.000126191 -0.000498642 21
6099 59 C 39.3039 17.4656 12.4507 -0.00230558 0.00212886 -0.00043496 21
6100 60 C 38.51 17.379 11.111 0.00447839 0.000561987 -0.00301658 21
6101 61 C 38.1227 15.939 10.6352 -0.000458166 -0.00121768 0.00380523 21
6102 62 C 37.5199 15.819 9.23954 -8.13925e-05 0.000915601 -0.00256986 21
6103 63 C 38.3111 16.5364 8.13125 -0.00289948 -0.000219551 0.00103609 21
6104 64 C 37.7597 16.1537 6.69657 0.00411712 0.0067135 1.01263e-05 21
6105 65 C 38.3915 16.9952 5.54163 -0.000782799 -0.00262326 -0.00233376 21
6106 66 C 37.9397 16.439 4.14351 -0.000833658 -0.00298083 0.00225486 21
6107 67 C 38.7041 17.0721 3.00075 0.00014982 -0.00498908 0.00473751 21
6108 68 C 38.2553 16.4759 1.68341 0.00363598 -0.00450488 -0.00178013 21
6109 69 F 35.7234 14.9222 23.6969 -0.00168318 -1.19519e-05 0.00148645 21
6110 70 C 36.7929 13.917 14.9448 0.00303296 0.000105382 -0.00168603 21
6111 71 C 36.5023 13.6614 13.477 0.000528561 -0.00257061 0.00344115 21
6112 72 C 37.6821 12.9775 12.7177 -0.0024612 -0.00146895 0.0052565 21
6113 73 C 37.3112 12.4741 11.2871 -0.00768529 -0.00148836 0.00540213 21
6114 74 C 38.4059 11.5798 10.7319 0.00122836 0.00498073 0.00519178 21
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6340 300 H 32.8122 12.3015 48.1629 -0.0110534 -0.00549132 0.0100811 21
6341 301 H 31.3966 12.1761 47.0924 0.00332078 -0.000899668 0.00304863 21
6342 302 H 32.0977 13.7613 47.4688 0.00112072 0.00213794 -0.00684897 21
6343 1 C 36.7789 27.0579 30.9099 -0.000463334 0.00170912 0.00187808 22
6344 2 C 36.9816 26.876 29.5683 0.00145883 -0.000849926 -0.00274445 22
6345 3 C 36.5834 25.6938 28.9246 -0.00146571 0.00522436 0.00487488 22
6346 4 C 35.9556 24.6981 29.6343 -4.45458e-05 0.00209549 0.00214025 22
6347 5 C 35.7305 24.8572 31.0362 0.00198982 -0.000484432 -0.00207341 22
6348 6 C 36.1384 26.0554 31.6711 0.00140729 0.00171934 0.00131421 22
6349 7 C 31.4634 23.6473 30.444 -0.000561048 0.00193378 -0.00258407 22
6350 8 C 31.683 23.6382 29.0384 -0.00121016 -8.69775e-05 -0.00420451 22
6351 9 C 32.9752 23.5017 28.5599 -0.00170024 -0.00355691 9.45275e-05 22
6352 10 C 34.0014 23.44 29.4937 -0.0013981 0.00127964 -0.00261671 22
6353 11 C 33.7613 23.5727 30.9099 -0.000868371 0.0029587 0.00243542 22
6354 12 C 32.4796 23.607 31.404 -0.00434457 -0.00361074 -0.00442405 22
6355 13 C 37.0898 20.3508 31.6334 0.000944053 -0.00304587 0.00246906 22
6356 14 C 37.2504 20.23 30.2724 -0.000922313 -0.00398604 -0.00367317 22
6357 15 C 36.6871 21.1497 29.4342 -0.00167877 0.00530083 0.000568929 22
6358 16 C 36.0462 22.2696 29.9655 7.27086e-05 0.0040458 -0.00242774 22
6359 17 C 35.4458 23.3705 29.0816 -0.00422794 -0.000415157 0.00325321 22
6360 18 O 36.3343 21.4123 33.6606 0.0010806 -0.00129435 -0.00141927 22
6361 19 O 32.2125 23.7198 32.7345 -0.00365624 -0.00014503 -0.0016839 22
6362 20 O 35.8646 26.1921 33.0168 -0.000159679 0.00157069 -0.00341905 22
6363 21 C 36.4194 21.415 32.2565 0.000839636 0.000523867 -0.000158361 22
6364 22 C 35.8217 23.2238 27.6731 -0.00239038 -0.000168061 0.00151363 22
6365 23 C 36.2868 23.173 26.5639 0.000263653 7.44228e-06 -0.000171215 22
6366 24 C 37.0519 23.25 25.3541 -0.000452708 0.000770452 0.00387806 22
6367 25 C 38.2858 22.5625 25.2733 -0.000885927 -0.000531534 0.00386621 22
6368 26 C 39.1361 22.7421 24.2025 -0.00425718 -0.00445936 -0.000715785 22
6369 27 C 38.7357 23.6077 23.1591 -0.00289547 -0.000309242 0.000320527 22
6370 28 C 37.5056 24.2441 23.2296 0.00138278 0.00350001 -0.00101175 22
6371 29 C 36.6531 24.0672 24.3083 0.00194878 7.44088e-05 2.49703e-05 22
6372 30 C 39.5085 23.7887 21.9715 0.00124286 -0.00360664 0.00332593 22
6373 31 C 39.9474 23.845 20.8517 -0.00135657 -0.00198965 -0.00284519 22
6374 32 C 38.3791 20.6861 18.5102 0.00154496 0.000353814 0.000779819 22
6375 33 C 38.525 20.7434 17.128 0.000562492 0.0049988 0.000518831 22
6376 34 C 39.2195 21.8116 16.5124 0.000693285 0.000671193 0.00101175 22
6377 35 C 39.7109 22.809 17.3455 -0.00359223 0.003769 0.00182062 22
6378 36 C 39.5157 22.7513 18.7315 0.00136583 0.00415374 -3.36557e-05 22
6379 37 C 38.8977 21.6515 19.3482 0.00188658 0.00117584 -0.0018662 22
6380 38 C 40.197 23.9166 19.4294 0.0047235 0.000348943 0.00342918 22
6381 39 C 44.0892 23.967 19.2335 0.00172204 -0.00329718 -0.000928247 22
6382 40 C 44.2255 24.0867 17.857 -0.00034213 0.000679203 -0.000288092 22
6383 41 C 43.1185 24.0514 16.9945 -0.00146928 -0.00765497 0.00136018 22
6384 42 C 41.8667 23.9624 17.6126 0.000216496 0.00341327 0.00188637 22
6385 43 C 41.6903 23.8807 18.9902 -0.00415344 -0.000384077 0.00122184 22
6386 44 C 42.8048 23.8387 19.797 0.00106136 -0.00108126 -0.000662424 22
6387 45 C 38.6474 27.3703 18.7236 0.0017704 -0.0027591 -0.00387229 22
6388 46 C 38.8713 27.4579 17.346 0.00168754 -0.000147313 -0.00268499 22
6389 47 C 39.4627 26.3832 16.665 0.000869863 0.00459949 -0.000300861 22
6390 48 C 39.8577 25.2395 17.3809 -0.0040504 0.00154041 -0.00044454 22
6391 49 C 40.5138 23.9884 16.8564 -0.00132713 0.00478011 -0.00103255 22
6392 50 C 39.6636 25.2082 18.7746 -0.00228617 -0.0028581 0.00152135 22
6393 51 C 39.0401 26.2578 19.4788 -0.00148913 -0.00172858 0.000151319 22
6394 52 O 43.2855 24.2106 15.624 -0.00493561 -0.000288953 0.000211024 22
6395 53 O 39.3918 21.9099 15.1486 0.00410013 -0.000244374 -0.00185661 22
6396 54 O 39.5666 26.5941 15.3021 6.25301e-05 -0.00310789 -0.00135754 22
6397 55 C 35.0237 23.6677 31.7234 0.00322212 -0.0009936 0.00168616 22
6398 56 C 35.861 22.4062 31.392 -0.00115208 -0.00101173 0.000396136 22
6399 57 C 43.7566 23.2641 14.6805 0.00518533 -0.00172805 0.000324609 22
6400 58 C 42.6897 23.284 13.5379 -0.00231956 -0.00207986 0.00382616 22
6401 59 C 43.1136 22.7405 12.1859 0.00308286 -0.00426211 0.00412806 22
6402 60 C 41.9608 22.9192 11.1809 -0.000441738 0.00231658 0.000312543 22
6403 61 C 42.4216 22.7488 9.72218 0.0011514 -0.000989579 0.00183647 22
6404 62 C 43.1286 23.9959 9.19966 -0.000989138 0.00129042 0.000694402 22
6405 63 C 42.6625 24.5689 7.82978 0.000606342 -0.00350036 -0.0032325 22
6406 64 C 42.7268 23.5504 6.67104 0.000460575 0.00430375 0.00515266 22
6407 65 C 42.5326 24.1807 5.30937 -0.00215159 -0.00176867 0.00219655 22
6408 66 C 42.5566 23.1137 4.18882 -0.000220235 0.00149185 -0.00497264 22
6409 67 C 42.2701 23.6766 2.80312 0.000848989 0.000240897 -0.000232569 22
6410 68 C 43.1836 24.8251 2.42653 0.00590214 -0.000525818 -0.000942773 22
6411 69 F 40.2837 22.0808 24.0825 -0.00160072 -0.00175105 -0.00419711 22
6412 70 C 38.8415 20.9375 14.2706 -0.00101622 -0.00314229 -0.00104017 22
6413 71 C 39.3128 21.2535 12.8642 -0.00151919 0.000399262 0.00058153 22
6414 72 C 38.2566 21.0064 11.776 -0.00467768 0.00101209 0.00318334 22
6415 73 C 38.9351 20.8584 10.3936 -0.00337298 -0.0028222 -0.0038157 22
6416 74 C 37.8697 20.4763 9.33441 -0.000271649 -0.00751686 -0.00131136 22
6417 75 C 38.3786 20.3299 7.89523 0.00114029 4.96568e-05 0.000767908 22
6418 76 C 38.5548 21.6758 7.10306 -0.0028284 -0.00197799 -0.000584083 22
6419 77 C 38.4792 21.3529 5.61267 0.00308274 0.000516508 0.000742069 22
6420 78 C 38.5913 22.5601 4.66277 -0.00142018 -0.000455755 -0.000727596 22
6421 79 C 38.3783 22.1302 3.21783 -0.000838543 0.00139651 -0.0057458 22
6422 80 C 39.4762 21.209 2.641 0.00265648 -0.00134723 -0.00125078 22
6423 81 C 39.1409 20.625 1.2677 0.00083093 0.00434197 -0.0013214 22
6424 82 C 40.5695 26.1259 14.418 -0.00272236 0.000456402 -0.000345053 22
6425 83 C 40.7502 27.2626 13.3618 0.00205052 0.00344899 0.00165434 22
6426 84 C 41.2981 26.8101 11.9628 0.000691415 0.00206441 0.000159983 22
6427 85 C 41.4603 28.0457 11.0733 -0.00181591 0.00153227 -0.00399365 22
6428 86 C 41.8143 27.6704 9.64488 0.00139132 -0.00275464 0.00284452 22
6429 87 C 42.1313 28.9258 8.82607 -0.00351445 -0.000480398 0.00287607 22
6430 88 C 42.7479 28.672 7.40672 -0.000192979 0.000860507 -0.00101119 22
6431 89 C 41.7488 27.9502 6.47635 -0.00234146 -1.50059e-05 0.00289778 22
6432 90 C 42.287 27.6782 5.0442 0.000667159 0.00186624 0.000249222 22
6433 91 C 42.4674 28.975 4.17764 0.00384581 -0.00308236 -0.000871844 22
6434 92 C 42.7668 28.7059 2.66471 0.00107758 -0.00211721 -0.00309732 22
6435 93 C 41.683 28.0026 1.82889 0.00441939 -0.00127214 -0.000938851 22
6436 94 C 30.8973 23.9052 33.2705 0.00132236 -0.000792907 -0.000179033 22
6437 95 C 30.7609 23.6699 34.7691 0.00235482 0.00257994 0.000245212 22
6438 96 C 29.4746 24.2974 35.2924 -0.000149227 0.000603273 -0.00449487 22
6439 97 C 28.9258 23.8961 36.6728 -0.00318269 -0.0027007 -0.00530167 22
6440 98 C 29.7979 24.0319 37.9334 0.00451737 0.00230925 -0.00269061 22
6441 99 C 28.9895 23.9053 39.1681 0.0020719 -0.00433468 -0.00208334 22
6442 100 C 29.8509 23.517 40.37 -0.000339133 -0.00129226 0.00238499 22
6443 101 C 29.0487 23.7138 41.6787 -0.00294447 -0.00291317 0.000890054 22
6444 102 C 29.9067 23.3041 42.885 -0.000365689 -0.00445791 -0.000503922 22
6445 103 C 29.2075 23.7308 44.2121 0.00186535 -0.00301335 -0.00374453 22
6446 104 C 30.0113 23.3759 45.489 0.000844315 0.0014609 0.000381171 22
6447 105 C 29.3923 24.0705 46.7202 0.0025364 0.00238307 0.00192136 22
6448 106 C 35.8295 27.4498 33.7214 0.00322643 0.00482302 0.000652337 22
6449 107 C 37.2469 27.9514 34.045 -0.00268655 0.000582736 -0.00121006 22
6450 108 C 37.3127 28.7984 35.3179 -0.00538585 -0.000650601 -1.52504e-05 22
6451 109 C 36.7426 28.2117 36.6262 0.00336744 0.00121825 -0.00526526 22
6452 110 C 37.5096 28.6546 37.8861 0.00170186 -4.54352e-05 0.00205193 22
6453 111 C 36.986 27.9298 39.126 0.00136061 -0.00174858 -0.00355714 22
6454 112 C 38.0012 28.0451 40.3057 -0.00495513 -0.00220708 0.00256968 22
6455 113 C 37.4721 27.3789 41.5999 -0.000852032 0.000880542 -0.000275509 22
6456 114 C 36.5073 28.3285 42.3418 -0.00178425 0.00204373 0.00176422 22
6457 115 C 36.5702 28.1037 43.8566 -0.000688062 0.00102467 0.000997609 22
6458 116 C 37.9136 28.6521 44.4054 5.19072e-05 0.00160075 0.00205747 22
6459 117 C 37.9639 28.7835 45.9271 0.00323389 -0.00121226 0.00543914 22
6460 118 C 36.8989 20.3136 34.4705 0.00245546 0.00056546 0.00276159 22
6461 119 C 36.7951 20.4797 35.9883 0.00214052 0.00127114 -0.00528086 22
6462 120 C 37.38 19.2392 36.6862 -0.000100523 0.00119019 -0.00283995 22
6463 121 C 37.9215 19.4944 38.1315 0.0018406 0.00544357 -0.00179612 22
6464 122 C 36.9013 19.4891 39.2882 0.00166102 -0.00210486 -0.00193221 22
6465 123 C 37.5971 19.669 40.6666 0.000492181 -0.00157363 -0.00443334 22
6466 124 C 36.6627 19.5407 41.8904 0.00283158 0.00298948 -0.000761158 22
6467 125 C 37.4523 19.4708 43.1913 0.00350412 0.00106387 0.00262092 22
6468 126 C 36.6018 19.1294 44.3873 0.000777502 0.000911383 -7.41794e-06 22
6469 127 C 37.3526 18.9995 45.7225 -0.00249029 -0.000308269 0.00160556 22
6470 128 C 37.8943 20.314 46.2391 0.00370089 0.000620327 0.00206175 22
6471 129 C 38.7385 20.0757 47.4922 -0.00412512 0.000679987 0.00370734 22
6472 130 F 38.7288 21.7505 26.2946 -0.00390218 0.00166774 0.000522281 22
6473 131 H 37.0336 28.0137 31.358 0.0151988 -0.00496265 0.00717002 22
6474 132 H 37.4966 27.6375 28.99 -0.00252694 -0.00521081 -0.0120449 22
6475 133 H 36.7956 25.6099 27.8629 -0.00695362 0.000648948 0.0041472 22
6476 134 H 30.4425 23.7663 30.7948 0.00356481 0.00921712 0.00699143 22
6477 135 H 30.8395 23.6546 28.3546 -0.0076937 0.00161088 0.00382793 22
6478 136 H 33.2051 23.5204 27.4986 0.00288778 -0.0112765 0.000953325 22
6479 137 H 37.4683 19.547 32.2581 -0.00567591 -0.00974928 -0.00215224 22
6480 138 H 37.7791 19.3715 29.8687 0.00774581 -0.000633188 0.000530372 22
6481 139 H 36.788 21.0021 28.363 0.00496391 -0.0023344 0.00225307 22
6482 140 H 37.2401 24.9726 22.4692 -0.0236737 -0.0114139 -0.00650172 22
6483 141 H 35.7303 24.6383 24.3503 0.00679193 0.00742132 0.00657182 22
6484 142 H 37.8638 19.8712 19.01 -0.0138572 0.0136512 0.00661853 22
6485 143 H 38.1432 19.9207 16.5306 0.00707815 0.000247565 0.00288545 22
6486 144 H 38.7598 21.4969 20.4142 -0.00288111 -0.0158825 -0.00491365 22
6487 145 H 44.9357 23.9557 19.9137 -0.00476337 -0.00833947 0.00709729 22
6488 146 H 45.1815 24.2113 17.3571 -0.00439232 0.00568043 -0.00683337 22
6489 147 H 42.6956 23.8158 20.8773 -0.0117785 -0.00410912 -0.00203068 22
6490 148 H 38.1881 28.213 19.2318 0.00583145 0.00680465 -0.0160419 22
6491 149 H 38.609 28.3706 16.819 0.0170084 0.00365097 -0.0037835 22
6492 150 H 40.6593 23.9458 15.7699 0.00481867 0.0146359 -0.00059352 22
6493 151 H 38.8696 26.2326 20.5511 0.000684083 -0.011527 0.000266629 22
6494 152 H 34.8623 23.7281 32.8068 0.00879629 -0.00687157 0.00286104 22
6495 153 H 44.7116 23.6245 14.2785 -0.00745116 0.00477796 -0.0238983 22
6496 154 H 43.9171 22.2796 15.1369 -0.0195581 -0.0113927 -0.0118986 22
6497 155 H 42.3608 24.3206 13.3935 0.0144531 0.00318921 0.00350772 22
6498 156 H 41.8156 22.7539 13.9358 -0.00770988 0.0104026 0.00865816 22
6499 157 H 43.3839 21.6831 12.2966 0.00982506 -0.00184293 0.0108368 22
6500 158 H 44.0224 23.2475 11.8388 -0.00918027 0.0100814 -0.00700986 22
6501 159 H 41.4197 23.8692 11.2706 -0.00626768 -0.00183983 0.00906608 22
6502 160 H 41.2623 22.1044 11.4084 0.00207025 -0.000908943 -0.00351192 22
6503 161 H 41.4952 22.5285 9.17768 0.00215851 0.00255531 -0.0012912 22
6504 162 H 43.0712 21.8738 9.59667 0.0125996 0.00711987 0.00454967 22
6505 163 H 44.1863 23.7069 9.1662 -0.0030596 -0.00433804 -0.0161338 22
6506 164 H 43.0539 24.7839 9.95921 0.000840079 -0.00282604 0.005149 22
6507 165 H 43.2442 25.4746 7.61834 -0.00413752 -0.0022427 -0.0108835 22
6508 166 H 41.6295 24.9247 7.92883 0.00105147 -0.00481757 0.00615186 22
6509 167 H 41.9369 22.8024 6.81205 0.00795483 -0.00288939 0.00893462 22
6510 168 H 43.6975 23.0407 6.71034 -0.00162636 -0.000900312 -0.0110724 22
6511 169 H 43.3088 24.9447 5.17752 -0.00802862 0.00290678 -0.00535605 22
6512 170 H 41.5759 24.7156 5.26467 0.00701437 0.0140266 -0.00536368 22
6513 171 H 41.8306 22.3386 4.46348 0.00139932 0.000303857 -0.00403288 22
6514 172 H 43.5301 22.608 4.19186 -0.00358298 -0.00494603 0.00229731 22
6515 173 H 41.2306 24.0264 2.77953 0.00226182 0.00356474 -0.012793 22
6516 174 H 42.3841 22.8622 2.07708 0.00651663 -0.00299693 0.00428181 22
6517 175 H 44.2382 24.5244 2.45468 0.00247194 -0.0135121 -0.0108824 22
6518 176 H 43.0571 25.7546 2.99532 -0.00144139 -0.00870653 0.0107172 22
6519 177 H 43.0006 25.1081 1.38258 0.000564952 0.00121499 0.00046732 22
6520 178 H 39.1777 19.9158 14.4859 -0.0125663 -0.00341268 0.0156376 22
6521 179 H 37.746 20.915 14.3238 -0.00111926 -0.00873837 -0.00539066 22
6522 180 H 39.6511 22.2944 12.7899 -0.0040973 0.00154409 0.0050355 22
6523 181 H 40.2387 20.7007 12.6627 0.00878 0.0130637 0.0130142 22
6524 182 H 37.8513 20.0231 12.045 -0.00901329 0.00110608 -0.00306738 22
6525 183 H 37.4177 21.7127 11.8038 0.00779294 0.0160623 -0.00405514 22
6526 184 H 39.4405 21.7907 10.1127 -0.00125671 -0.00247896 0.00112756 22
6527 185 H 39.7353 20.1103 10.4524 -0.000968919 -0.000389253 -0.0055291 22
6528 186 H 37.3903 19.5395 9.64399 -0.0149105 0.007891 0.022745 22
6529 187 H 37.0651 21.222 9.32263 0.00160518 -0.00523504 0.0156496 22
6530 188 H 39.3313 19.7947 7.79864 -0.00120099 -0.0040322 0.000407609 22
6531 189 H 37.5985 19.7583 7.37752 -0.00158237 -0.00586126 0.0113954 22
6532 190 H 37.8231 22.4207 7.43954 0.00225088 -0.00157297 0.00965508 22
6533 191 H 39.533 22.0842 7.38549 0.0024296 -0.0148284 -0.000181491 22
6534 192 H 39.2705 20.6214 5.40722 -0.00784928 -0.00715545 -0.0139683 22
6535 193 H 37.5051 20.8829 5.42931 0.00269183 0.00502866 -0.00874482 22
6536 194 H 37.8002 23.2805 4.90493 -0.00769394 -0.00161167 -0.0177593 22
6537 195 H 39.5268 23.1085 4.82844 0.000724144 -0.00688271 0.00846631 22
6538 196 H 37.4013 21.6337 3.16906 0.000754207 -0.00201894 -0.00287609 22
6539 197 H 38.2904 23.0582 2.63938 0.00373848 0.00210262 -0.00530823 22
6540 198 H 40.4002 21.788 2.52066 0.00355377 -0.00381698 -0.00627247 22
6541 199 H 39.6701 20.3725 3.32372 -0.00593325 -0.00421932 -0.00232732 22
6542 200 H 39.943 19.9777 0.891956 -0.00426397 -0.00415126 0.00240415 22
6543 201 H 38.242 19.9983 1.31958 0.00231988 0.00147591 -0.00991786 22
6544 202 H 38.9183 21.427 0.553156 -0.00831979 0.00366815 0.00075879 22
6545 203 H 41.4811 25.9557 15.004 0.00231482 0.00612408 -0.00655973 22
6546 204 H 40.2706 25.1757 13.9584 -0.0068287 -0.00454519 0.0126579 22
6547 205 H 39.7759 27.7209 13.1517 -0.00822385 -0.0128333 0.0138234 22
6548 206 H 41.3954 28.0592 13.7524 -0.0103237 0.0146393 -0.000731526 22
6549 207 H 42.2868 26.3467 12.0676 0.0033691 0.007534 -0.000822813 22
6550 208 H 40.5928 26.0789 11.5488 0.00386514 -0.00508034 0.00738321 22
6551 209 H 40.5325 28.6304 11.0493 0.00511941 0.0126855 -0.000150541 22
6552 210 H 42.2533 28.6603 11.5169 -0.00254175 -0.00287206 0.00341754 22
6553 211 H 42.6494 26.9627 9.57322 0.00536964 0.00141575 0.00818715 22
6554 212 H 40.9562 27.1687 9.18083 -0.00269431 0.00643936 0.000462507 22
6555 213 H 41.2911 29.631 8.80758 -0.00545665 -0.00291113 -0.00106513 22
6556 214 H 42.9069 29.4649 9.384 0.0148891 -0.0171205 -0.00666637 22
6557 215 H 43.0959 29.6272 6.9947 -0.0128613 0.00102106 -0.0113023 22
6558 216 H 43.6455 28.0579 7.55035 -0.0053566 -0.00882146 -0.0101931 22
6559 217 H 41.4643 26.9844 6.91194 -0.0131589 0.00325299 0.00307168 22
6560 218 H 40.8374 28.5507 6.36629 0.00343686 0.00455471 -0.0203836 22
6561 219 H 43.2119 27.0895 5.08056 0.00277429 0.00421088 -0.0152473 22
6562 220 H 41.5689 27.0364 4.51902 0.00189637 0.00957665 -0.0108729 22
6563 221 H 41.568 29.5826 4.33667 -0.00169994 -0.0156756 0.0161441 22
6564 222 H 43.294 29.6107 4.51833 0.00629692 -0.0118432 0.00943642 22
6565 223 H 42.9466 29.6796 2.19247 0.00465579 -0.00559649 -0.00890471 22
6566 224 H 43.6823 28.1161 2.53261 0.00594328 0.00231819 0.010991 22
6567 225 H 40.7875 28.6335 1.88638 0.00150689 -0.00475679 -0.00837671 22
6568 226 H 41.991 27.8838 0.782723 0.0107357 0.00538779 0.000167743 22
6569 227 H 41.449 26.9987 2.20414 0.00293961 -0.00122006 -0.00172257 22
6570 228 H 30.5164 24.9102 33.0507 -0.0119047 -0.0021592 0.0163267 22
6571 229 H 30.1919 23.2042 32.8076 -0.00779809 0.00506572 0.00481279 22
6572 230 H 30.7743 22.5772 34.8647 -0.000422676 0.00170378 -0.0092717 22
6573 231 H 31.644 24.0405 35.3041 0.00504523 -0.00931542 0.00410622 22
6574 232 H 29.7221 25.3627 35.3787 -0.017506 0.0028903 0.0172056 22
6575 233 H 28.6345 24.154 34.6017 0.00978851 -0.0172776 -0.0128364 22
6576 234 H 28.0169 24.4861 36.8439 -0.0059215 -0.00994134 0.00517213 22
6577 235 H 28.5882 22.8524 36.6601 -0.0066804 -0.00200105 0.0275123 22
6578 236 H 30.5107 23.1994 37.8849 0.00840496 0.00502586 0.00827585 22
6579 237 H 30.3098 25.002 37.9189 0.00783987 0.000608831 0.00127458 22
6580 238 H 28.5183 24.8863 39.3065 -0.00776882 -0.0113636 0.0141032 22
6581 239 H 28.1976 23.1689 38.9837 -0.00787994 0.0101481 -0.0173543 22
6582 240 H 30.1817 22.474 40.2916 0.00270228 -0.000468486 0.00421232 22
6583 241 H 30.7878 24.0873 40.3504 -0.000191208 -0.00182928 -0.00674427 22
6584 242 H 28.7185 24.7581 41.7407 -0.0056647 -0.00395578 0.0039627 22
6585 243 H 28.1384 23.1032 41.6346 -0.00176869 -0.00456439 -0.000539264 22
6586 244 H 30.0448 22.2166 42.9247 -0.00640352 -0.00550129 -0.00818709 22
6587 245 H 30.884 23.7973 42.8139 0.000276941 -0.00596953 -0.00213452 22
6588 246 H 28.9724 24.8002 44.1442 0.00271547 -0.00224959 0.00558536 22
6589 247 H 28.1961 23.3071 44.2417 -0.00257708 0.00664137 -0.0160889 22
6590 248 H 30.0572 22.291 45.6455 -0.00328849 -0.000361742 -0.0110796 22
6591 249 H 31.0444 23.7195 45.3548 0.00237406 0.00170078 0.0128977 22
6592 250 H 28.317 23.8535 46.708 0.0025641 0.00271626 -0.00764725 22
6593 251 H 29.8291 23.7372 47.6697 0.00263053 0.00290204 0.00206148 22
6594 252 H 29.6099 25.1457 46.7243 0.00496662 0.00193678 -0.0146139 22
6595 253 H 35.2193 28.1602 33.1502 -0.00117802 0.00185415 0.00165823 22
6596 254 H 35.3562 27.2038 34.68 -0.00780539 0.000691247 -0.00585009 22
6597 255 H 37.8985 27.0711 34.1061 -0.00636475 -0.00143346 0.00880847 22
6598 256 H 37.6764 28.5411 33.2257 0.00339904 0.0146703 0.0121233 22
6599 257 H 38.3462 29.1031 35.524 -0.00283254 -0.000915943 -0.0125355 22
6600 258 H 36.9162 29.8076 35.1516 0.00436501 0.00375642 0.00336142 22
6601 259 H 35.6984 28.5475 36.6459 0.00767147 0.0148427 -0.00730363 22
6602 260 H 36.8605 27.1211 36.619 -0.013332 -0.000602789 0.00207178 22
6603 261 H 38.5464 28.3067 37.8007 -0.00220215 -0.00955587 -0.00669865 22
6604 262 H 37.4923 29.7471 37.9841 0.0101242 0.00111074 -0.00926823 22
6605 263 H 36.0256 28.3513 39.4476 -0.000146136 0.00227421 -0.0133656 22
6606 264 H 36.82 26.8706 38.8939 0.00251008 -0.00371977 0.00462171 22
6607 265 H 38.9336 27.5663 39.9818 0.00541504 0.0146471 0.00753449 22
6608 266 H 38.232 29.1019 40.4879 0.00136711 -0.00626741 0.0180569 22
6609 267 H 36.9168 26.4618 41.3675 -0.00492662 0.00360113 -0.00130141 22
6610 268 H 38.371 27.1354 42.1797 -0.0091918 -0.00661865 0.00945825 22
6611 269 H 36.7452 29.3706 42.0953 -0.0023924 0.00604581 0.0181367 22
6612 270 H 35.478 28.2209 41.9779 0.00251352 -0.0198574 -0.0038295 22
6613 271 H 35.7629 28.6806 44.3246 -0.00203381 0.0111846 -0.0138295 22
6614 272 H 36.3887 27.0424 44.0666 -0.00728203 0.00324014 0.00650062 22
6615 273 H 38.6801 27.9235 44.1137 0.00988205 0.011747 0.00259157 22
6616 274 H 38.2011 29.5783 43.8926 0.0027002 -0.00326124 -0.00527232 22
6617 275 H 37.7838 27.8473 46.4699 0.012088 -0.00690677 -0.00148106 22
6618 276 H 38.9519 29.1507 46.2312 0.00171112 0.00181997 0.00672305 22
6619 277 H 37.2118 29.501 46.2776 -0.00561043 -0.00577714 -0.0042077 22
6620 278 H 36.4068 19.3765 34.1822 0.00553474 0.00140122 -0.00520972 22
6621 279 H 37.9761 20.2601 34.2701 0.00788878 -0.0056476 0.033486 22
6622 280 H 35.7729 20.6018 36.3673 0.00146298 -0.00902089 -0.0037648 22
6623 281 H 37.427 21.3282 36.2783 -0.00993155 0.0065259 0.00559712 22
6624 282 H 38.1954 18.8146 36.0877 0.0084668 -0.00471494 0.0130145 22
6625 283 H 36.592 18.4765 36.713 0.000444948 0.000275439 -0.0127915 22
6626 284 H 38.5914 20.3631 38.1345 0.00860656 0.000156419 0.0154122 22
6627 285 H 38.5467 18.6195 38.3482 -0.00443012 0.00210234 0.00285665 22
6628 286 H 36.3284 18.5535 39.2807 0.00340295 -0.00328399 0.0119971 22
6629 287 H 36.1906 20.3097 39.13 0.0154169 0.0102158 0.000123137 22
6630 288 H 38.038 20.6728 40.7039 0.002471 -0.00215719 -0.0122189 22
6631 289 H 38.4314 18.9632 40.7632 -0.00192847 -0.00291709 0.00667804 22
6632 290 H 36.0359 18.6493 41.7641 -0.00664931 0.00769051 0.0131706 22
6633 291 H 35.9709 20.3913 41.9256 -0.00303253 -0.0014724 -0.00801035 22
6634 292 H 37.9485 20.4337 43.3643 0.00242333 0.00103944 0.00585453 22
6635 293 H 38.2924 18.7693 43.1158 0.0133889 0.0133844 -0.0023036 22
6636 294 H 36.0938 18.1659 44.2572 -0.00133988 0.00297096 -0.00688501 22
6637 295 H 35.8514 19.9236 44.4848 -0.00768389 -0.00643569 -0.00531947 22
6638 296 H 38.1898 18.2987 45.6154 -0.00795206 -0.00671616 0.000843825 22
6639 297 H 36.6854 18.5893 46.4906 0.00110197 -0.00603509 0.00166673 22
6640 298 H 37.1053 21.0512 46.4329 -0.00309481 -0.00201522 -0.0155579 22
6641 299 H 38.529 20.7837 45.4775 0.0132838 -0.00931693 0.00393707 22
6642 300 H 39.1208 21.0047 47.933 -0.00854504 0.00739904 -0.00665521 22
6643 301 H 39.6272 19.4461 47.3606 0.00185422 0.00797761 0.00903255 22
6644 302 H 38.1323 19.5132 48.2129 0.00607218 -0.00238392 0.00989579 22
6645 1 C 40.9889 20.17 31.2617 0.00178777 0.00113538 -0.000442407 23
6646 2 C 41.2181 20.1166 29.902 -0.00039556 0.00168782 -0.00104566 23
6647 3 C 40.6708 19.0634 29.1747 -0.00139621 0.00134502 -0.00125278 23
6648 4 C 39.9531 18.0724 29.8389 -0.000123815 -0.00102276 0.00256752 23
6649 5 C 39.7075 18.148 31.2247 -0.00541989 0.00187167 0.001911 23
6650 6 C 40.2033 19.2218 31.9524 -0.000357024 -0.002792 -0.00440267 23
6651 7 C 35.2646 16.9411 30.5295 0.00174869 0.00273563 0.00134987 23
6652 8 C 35.45 16.8429 29.1374 -0.00459572 0.00149432 0.00410755 23
6653 9 C 36.7632 16.747 28.6141 -0.00198592 -0.00211473 -0.00151789 23
6654 10 C 37.8618 16.8126 29.5123 0.0033238 -0.000846098 -0.000175176 23
6655 11 C 37.6587 16.9032 30.9327 0.00211588 0.00237449 0.00280752 23
6656 12 C 36.3406 17.0515 31.4521 -0.00413899 -0.00585104 -0.00195266 23
6657 13 C 40.9999 13.5277 31.3621 0.000582989 0.00259506 -0.00235811 23
6658 14 C 41.0626 13.4692 29.9937 -0.000222252 -0.00154363 -0.00505647 23
6659 15 C 40.5593 14.5072 29.2155 -0.000314082 -0.00273865 -0.00427903 23
6660 16 C 39.9101 15.6027 29.8405 0.00344879 -1.02365e-05 0.00477306 23
6661 17 C 39.3443 16.8304 29.1126 0.000989799 0.000340618 -0.000274788 23
6662 18 O 40.2553 14.5533 33.4304 -0.000736737 0.000455373 -0.000164707 23
6663 19 O 36.0988 17.2031 32.8243 -0.00171902 0.00251679 -0.000391754 23
6664 20 O 40.0223 19.4231 33.3299 -0.00354366 0.00316613 0.00294967 23
6665 21 C 40.3293 14.596 32.0443 -0.0010275 -0.000684232 -0.00233489 23
6666 22 C 39.6544 16.822 27.666 -0.00150731 -0.00133019 0.000268174 23
6667 23 C 40.1478 16.8394 26.5611 -0.000586868 0.00586007 -0.0032024 23
6668 24 C 40.7914 16.9649 25.3555 0.000475051 -0.00136043 0.00228448 23
6669 25 C 40.434 17.9306 24.4084 -0.00352596 0.00450947 0.00146555 23
6670 26 C 41.2114 18.0547 23.2301 0.00339733 0.00145519 0.00736312 23
6671 27 C 42.3685 17.2654 23.043 -0.000186295 0.00090515 -6.04503e-05 23
6672 28 C 42.775 16.3797 24.0481 0.00165057 -0.00130995 0.00113889 23
6673 29 C 41.9657 16.2036 25.1794 -0.00209071 0.00247642 0.00248722 23
6674 30 C 43.1677 17.3479 21.8608 0.00123659 0.0046065 0.00449945 23
6675 31 C 43.7317 17.4282 20.7852 -0.00500057 -0.000732321 -0.00278797 23
6676 32 C 42.5723 13.8384 18.6875 -0.000525472 -0.00068988 -0.00257351 23
6677 33 C 42.776 13.7864 17.2868 -0.00253841 -0.00168605 -0.00147802 23
6678 34 C 43.4228 14.843 16.587 -0.00409849 -0.000162709 -0.00240039 23
6679 35 C 43.8542 15.9518 17.3304 -0.000213006 0.0002061 -0.00286855 23
6680 36 C 43.6211 16.0525 18.7359 -0.00188847 0.00140333 -0.00146157 23
6681 37 C 42.9874 14.9728 19.407 -0.0017966 -0.0011828 -0.00267768 23
6682 38 C 44.1302 17.3467 19.3767 -0.000572248 0.00375756 -0.00461075 23
6683 39 C 47.9769 17.4854 19.3509 0.000803864 -0.00312522 0.000301892 23
6684 40 C 48.1546 17.523 17.9685 0.000902492 0.00473773 0.00266124 23
6685 41 C 47.0724 17.4296 17.0847 0.00040155 -0.00261246 -0.00406055 23
6686 42 C 45.791 17.3408 17.6081 0.000629125 0.000368201 -0.000828949 23
6687 43 C 45.601 17.3689 19.038 0.00353518 -0.00168446 0.00266075 23
6688 44 C 46.7154 17.4422 19.916 -0.00301756 -0.00272766 -2.57147e-05 23
6689 45 C 42.1121 20.4085 17.9753 0.000696517 0.00235025 0.000133602 23
6690 46 C 42.3016 20.2384 16.6106 -0.00423276 -0.00161752 0.00271972 23
6691 47 C 43.1426 19.177 16.1882 -0.000835403 0.000751516 0.000458431 23
6692 48 C 43.6852 18.3263 17.1278 0.00216844 -0.00261557 0.00265998 23
6693 49 C 44.5552 17.1642 16.7202 -0.00496941 0.00260331 -0.00466595 23
6694 50 C 43.4247 18.4456 18.4958 -0.00365944 0.00105875 -0.000538359 23
6695 51 C 42.6416 19.5298 18.9391 -0.0016503 0.00550378 -0.000820843 23
6696 52 O 47.2237 17.5923 15.7723 0.00110732 -0.00136425 -0.00273897 23
6697 53 O 43.7429 14.6575 15.2603 -0.000829785 0.00182294 -0.00236443 23
6698 54 O 43.4204 18.9667 14.8799 0.000236491 -0.00307571 0.000983345 23
6699 55 C 38.981 16.8936 31.7621 -0.00232145 -0.0019816 -0.000235565 23
6700 56 C 39.7642 15.6314 31.2567 -0.00108728 0.00157357 -0.00339162 23
6701 57 C 47.8447 16.5353 15.0002 0.004729 0.00188926 -0.0024049 23
6702 58 C 47.6359 16.8426 13.4946 -3.09844e-05 -0.0042237 -0.000231073 23
6703 59 C 46.1351 17.0401 13.1113 -0.00134458 0.000765837 -0.00211347 23
6704 60 C 45.8943 17.1139 11.5793 0.00475612 -0.00366445 0.00304363 23
6705 61 C 46.6902 16.0645 10.8233 -0.00340984 0.00216489 0.000747961 23
6706 62 C 46.0887 15.6126 9.48225 0.0020477 -0.000636919 0.00137939 23
6707 63 C 46.1162 16.638 8.37316 0.000271908 -0.00429603 -0.0015593 23
6708 64 C 45.9212 15.9215 7.01546 0.00615423 0.00467664 -0.00318479 23
6709 65 C 46.0996 16.895 5.86 -0.00193262 -0.000443274 -3.26657e-05 23
6710 66 C 46.1614 16.1386 4.48721 0.000391419 -0.000630403 -0.00492582 23
6711 67 C 46.3329 17.0797 3.27995 0.000499528 0.00431981 -0.00082011 23
6712 68 C 46.5571 16.3354 1.94847 -0.000641645 -0.00518305 0.000817797 23
6713 69 F 40.808 18.937 22.2788 -0.00129974 4.30203e-05 -0.00136342 23
6714 70 C 44.213 13.3521 14.9206 0.000422459 0.00176527 0.00343708 23
6715 71 C 45.174 13.3538 13.744 0.000212419 -0.00240749 -0.00150956 23
6716 72 C 44.6693 13.3598 12.2898 -0.0049902 0.000156115 0.000460654 23
6717 73 C 45.6299 12.607 11.3324 0.00249436 -0.000483019 0.00506389 23
6718 74 C 44.9198 12.1553 10.0035 -0.00243534 0.00233698 0.000785369 23
6719 75 C 45.7755 11.1207 9.24226 -0.00082916 0.00142884 -0.00215478 23
6720 76 C 46.6065 11.7041 8.06312 0.00220914 -0.000832148 -0.00245685 23
6721 77 C 45.7798 12.1163 6.854 -0.00276816 -0.000384303 -4.75456e-05 23
6722 78 C 46.6373 12.3359 5.58064 0.00272617 0.00143415 0.000878384 23
6723 79 C 45.801 12.5043 4.32259 0.000289822 -0.00115398 0.00177872 23
6724 80 C 46.6994 12.5807 3.05033 -0.00238669 -0.0013971 0.0011303 23
6725 81 C 45.9062 12.6616 1.72231 0.00133305 0.000552614 0.00137599 23
6726 82 C 42.5095 19.3295 13.8717 0.000519146 0.000665339 -0.00346505 23
6727 83 C 43.1256 18.7314 12.5833 0.00143771 0.00476269 0.00378513 23
6728 84 C 42.294 19.1101 11.3406 -9.71777e-05 -0.00248372 0.000875502 23
6729 85 C 43.0331 18.9474 10.0536 -0.00320933 0.000630691 0.00580909 23
6730 86 C 42.174 19.3146 8.85399 -0.00520363 -0.00170994 0.00171878 23
6731 87 C 43.0069 19.6338 7.58836 0.00210348 0.00338098 0.00380879 23
6732 88 C 42.102 19.9297 6.37847 -0.00450519 -0.00137901 0.00224341 23
6733 89 C 41.7223 18.6814 5.57555 0.000804558 -0.0011231 -0.00114619 23
6734 90 C 42.6973 18.4181 4.36416 0.00120294 0.00182036 0.00433267 23
6735 91 C 42.3014 19.0935 3.06779 0.000775151 -1.73893e-05 -0.00361714 23
6736 92 C 43.2525 18.7951 1.89129 0.000275765 -0.0031036 0.00363508 23
6737 93 C 43.2997 17.3116 1.51745 -0.00298655 -4.86598e-05 0.000188064 23
6738 94 C 34.7873 16.9877 33.337 0.000150758 -0.00264933 -0.00281339 23
6739 95 C 34.6322 17.156 34.8555 0.000844543 -0.000151775 0.000836682 23
6740 96 C 33.2455 16.8492 35.3571 -0.00259771 -0.000429099 0.00168991 23
6741 97 C 32.8429 17.3597 36.7576 0.00454196 0.0012822 0.000996715 23
6742 98 C 33.6522 17.0258 38.0585 -0.00102456 -0.0029587 0.000449214 23
6743 99 C 32.8234 17.4764 39.2633 -0.00170378 0.000517167 0.0036265 23
6744 100 C 33.54 17.0433 40.5551 0.00110072 -0.000320477 0.00127966 23
6745 101 C 32.7315 17.3641 41.8244 -0.0010164 -0.000113441 0.00132146 23
6746 102 C 33.403 16.8765 43.1128 0.00370535 0.000284744 -0.00246123 23
6747 103 C 32.591 17.1042 44.4021 0.00100034 -0.00241963 -0.00180681 23
6748 104 C 33.3777 16.6188 45.6301 0.00443029 0.000737175 -9.08692e-05 23
6749 105 C 32.5537 16.7313 46.9283 0.000763965 -0.00366758 -0.000982525 23
6750 106 C 40.642 20.577 33.9514 -0.00139334 -0.000842419 -0.000588711 23
6751 107 C 40.5177 20.7459 35.4606 0.00153166 0.000600123 0.00218419 23
6752 108 C 41.253 22.0481 35.8608 0.000559544 -0.00150732 -2.06318e-05 23
6753 109 C 40.9911 22.5352 37.3432 0.000436254 -0.000848246 0.00359375 23
6754 110 C 42.1106 22.14 38.3368 0.00469742 -0.00102076 -0.00280959 23
6755 111 C 42.0056 20.7304 38.8702 0.00289612 0.00165117 -0.000476187 23
6756 112 C 40.9783 20.6495 39.9867 0.0036629 0.00142202 0.000846229 23
6757 113 C 41.5366 21.0334 41.3605 -0.000957349 -0.0031871 0.00149579 23
6758 114 C 40.5763 20.6583 42.4647 0.00181616 0.00205792 -0.000783598 23
6759 115 C 41.2075 20.4755 43.83 -8.25921e-05 -0.00316688 -0.00101801 23
6760 116 C 41.8421 21.742 44.4416 -0.00180823 0.0027047 -0.000571457 23
6761 117 C 42.0572 21.5539 45.946 0.0017549 -0.0013721 0.0010871 23
6762 118 C 41.1054 13.6864 34.2256 0.000958354 0.00316014 0.00296706 23
6763 119 C 40.6777 13.5446 35.7219 -0.00231565 -0.00415504 -0.000367582 23
6764 120 C 41.5358 12.4913 36.4241 -0.000349011 0.003102 -0.00380329 23
6765 121 C 41.9849 12.8433 37.8729 -0.00283141 0.00171946 -0.000398291 23
6766 122 C 41.0737 12.4771 39.01 -0.000768733 -0.0024007 0.000609234 23
6767 123 C 41.7621 12.7909 40.3727 -0.00368777 -0.00297008 -0.00277118 23
6768 124 C 40.8286 12.6818 41.5937 -0.000426046 0.00213151 0.00158986 23
6769 125 C 41.5984 12.8808 42.9019 0.000276692 0.00514857 0.00337264 23
6770 126 C 40.6145 12.8416 44.1164 0.00391884 -0.000173592 0.00235357 23
6771 127 C 41.1486 13.423 45.4289 0.00126278 0.00160709 -0.00121285 23
6772 128 C 42.2165 12.5967 46.1618 -0.00374398 0.000730128 -0.00529403 23
6773 129 C 41.5345 11.4634 46.9649 -0.0027325 -1.10738e-05 -0.00256958 23
6774 130 F 39.3236 18.7408 24.5545 -0.0013166 -0.00279818 -0.00293618 23
6775 131 H 41.4936 21.02 31.7113 0.00189253 -0.00121724 0.00386535 23
6776 132 H 41.8733 20.8372 29.4215 0.00704567 0.00147904 0.00877087 23
6777 133 H 40.9395 19.0263 28.1231 -0.00364431 0.0069777 -0.00202837 23
6778 134 H 34.2515 17.0259 30.9115 -0.00186642 0.00112202 -0.00793299 23
6779 135 H 34.5951 16.708 28.4815 -0.00154444 0.00272509 -0.00012009 23
6780 136 H 36.9183 16.6495 27.5437 0.0162166 -0.00357665 0.00125194 23
6781 137 H 41.4567 12.7124 31.9153 0.0154715 0.0142324 0.00251948 23
6782 138 H 41.5737 12.6556 29.4877 -0.0109243 -0.0098923 -0.00241868 23
6783 139 H 40.6765 14.4432 28.1377 0.00636147 0.0119893 -0.00442484 23
6784 140 H 43.6788 15.7821 23.9743 0.00550886 0.00602636 -0.0106631 23
6785 141 H 42.3114 15.539 25.9657 -0.00526375 -0.0120282 -0.00839772 23
6786 142 H 42.0539 13.0412 19.212 0.00505681 -0.000272985 0.0035677 23
6787 143 H 42.4988 12.8447 16.8223 -0.0101921 0.00411283 -0.00861199 23
6788 144 H 42.8621 14.9648 20.4857 -0.000782398 0.000371785 -0.00254843 23
6789 145 H 48.8329 17.6315 20.0031 -0.00883409 0.0120499 0.00958599 23
6790 146 H 49.1247 17.625 17.4912 -0.00443309 0.0039144 -0.00843159 23
6791 147 H 46.5395 17.4844 20.9869 -0.00321349 0.00250347 -0.000263503 23
6792 148 H 41.5773 21.2888 18.3193 0.00176227 0.00866623 -0.0143402 23
6793 149 H 41.8736 20.925 15.8861 0.0118848 0.00841096 0.00270398 23
6794 150 H 44.7253 17.0575 15.6417 -0.010733 0.0193099 -0.00722691 23
6795 151 H 42.4735 19.7072 19.9973 0.0181558 0.00292531 0.00276622 23
6796 152 H 38.7623 16.9346 32.8363 0.0118985 -0.00185999 0.00262964 23
6797 153 H 48.898 16.3874 15.2685 0.0030938 -0.00990441 -0.0024205 23
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6799 155 H 48.132 16.0504 12.9204 0.000645015 -0.0063779 0.00332635 23
6800 156 H 48.1821 17.776 13.3109 0.00855292 -0.0070508 0.0107582 23
6801 157 H 45.8145 17.9454 13.6414 0.0064654 0.00384861 -0.00263664 23
6802 158 H 45.5413 16.2503 13.5879 -6.05153e-05 0.00347049 0.00399975 23
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6810 166 H 45.3442 17.3943 8.56182 0.00363901 -0.000936743 -0.00123687 23
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6812 168 H 46.7251 15.1835 6.90383 0.00250167 0.00185459 -0.0108069 23
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6816 172 H 46.9978 15.4316 4.54947 0.000297341 3.38056e-06 0.00372297 23
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6819 175 H 46.5676 17.0484 1.11486 -0.00226289 -0.000455965 0.00483561 23
6820 176 H 47.5317 15.8332 1.98509 0.0054931 0.0066973 0.000761134 23
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6824 180 H 45.8708 14.1936 13.8558 -0.0131458 0.00682186 0.0123136 23
6825 181 H 45.7434 12.4275 13.8896 -0.00398634 -0.00377892 0.00624888 23
6826 182 H 43.7055 12.8381 12.338 -0.00600578 0.00154566 -0.00498927 23
6827 183 H 44.5122 14.3806 11.9203 0.0142919 0.00079239 -0.00603545 23
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6829 185 H 45.9913 11.7004 11.8331 -0.00212305 -0.0105297 -0.0097723 23
6830 186 H 44.0113 11.609 10.2855 -0.00430259 0.0022435 -0.0054067 23
6831 187 H 44.5846 12.9725 9.35289 -0.0189717 0.00292376 0.0100301 23
6832 188 H 46.4243 10.6131 9.96667 0.0097588 0.00146864 -0.011637 23
6833 189 H 45.1421 10.3007 8.88209 0.00183438 0.00373393 -0.0120574 23
6834 190 H 47.2756 12.5059 8.39899 -0.0131798 0.00982881 0.00274799 23
6835 191 H 47.2038 10.8492 7.72268 0.00793761 -0.00227244 0.0112358 23
6836 192 H 45.0486 11.32 6.66776 -0.000652079 -0.00237069 0.000150185 23
6837 193 H 45.17 13.0101 7.0348 -0.0053061 -0.00363553 0.00741615 23
6838 194 H 47.2441 13.2403 5.71214 0.00553145 0.00179958 -0.0145836 23
6839 195 H 47.3449 11.5048 5.4718 0.00135368 0.00135449 -0.00735943 23
6840 196 H 45.1576 11.6171 4.27516 0.0112587 -0.00986142 0.0151996 23
6841 197 H 45.2009 13.4187 4.40668 -1.48039e-05 -0.0023864 0.0129342 23
6842 198 H 47.2739 13.5082 3.16487 -0.0039008 0.000748729 -0.0087283 23
6843 199 H 47.4354 11.771 2.97248 -0.00426928 -0.0015741 -0.0150655 23
6844 200 H 46.543 13.0685 0.927167 -0.00253058 0.00484335 0.000479873 23
6845 201 H 45.569 11.6559 1.44223 0.0106726 -0.00215991 -9.28096e-05 23
6846 202 H 44.9792 13.2433 1.7979 0.00634338 0.0092187 -0.00409291 23
6847 203 H 41.481 19.0081 14.0774 0.00287988 -0.00657419 -0.00304503 23
6848 204 H 42.494 20.425 13.8164 0.00334188 0.000974186 0.00180418 23
6849 205 H 44.1272 19.1554 12.4409 0.00254891 0.000792226 -0.000247146 23
6850 206 H 43.2405 17.6424 12.6498 -0.0186189 0.00224357 -0.00296886 23
6851 207 H 41.4023 18.4791 11.2398 0.00696784 -0.0110183 -0.00838601 23
6852 208 H 41.9909 20.1557 11.4754 -0.00387787 -0.00155422 -0.0150888 23
6853 209 H 43.8698 19.6539 10.119 -0.00773098 0.00601931 0.0056245 23
6854 210 H 43.3998 17.9213 9.92699 -0.000270859 0.00198778 0.00332516 23
6855 211 H 41.4778 18.4887 8.66272 -0.0107351 0.00555339 -0.00954732 23
6856 212 H 41.5123 20.1738 9.01972 0.00207609 0.00258575 0.00835816 23
6857 213 H 43.5319 20.5666 7.82822 0.00480848 0.00131181 0.00592068 23
6858 214 H 43.7457 18.8529 7.36955 0.00318105 0.006765 -0.0046173 23
6859 215 H 41.1939 20.457 6.69578 -0.00242031 -0.00429579 0.0130569 23
6860 216 H 42.6828 20.6147 5.74842 0.00605012 -0.0126759 -0.00032758 23
6861 217 H 41.6842 17.8067 6.23653 -0.00241774 0.00380294 0.00518353 23
6862 218 H 40.7163 18.8351 5.16604 -0.00888926 0.000140493 0.023191 23
6863 219 H 43.7485 18.5998 4.62018 0.00121592 0.0204284 -0.0090003 23
6864 220 H 42.6203 17.3391 4.18188 -0.0111531 0.00276954 0.00385686 23
6865 221 H 41.2657 18.8139 2.83821 -0.00480358 0.00619193 0.0138261 23
6866 222 H 42.2412 20.1826 3.1847 -0.014247 -0.00281843 0.0147135 23
6867 223 H 42.88 19.3183 1.00197 0.000181554 0.00170097 0.00650729 23
6868 224 H 44.2517 19.2069 2.07942 0.00135777 0.0045355 -0.0187536 23
6869 225 H 43.5694 16.7112 2.39509 0.0042169 -0.00377675 -0.00459856 23
6870 226 H 42.3443 16.892 1.17921 0.00254481 -0.00515151 -0.00917191 23
6871 227 H 44.0132 17.1476 0.700479 -0.01566 0.00599801 -0.0121185 23
6872 228 H 34.0607 17.6744 32.8856 0.0110555 0.0102079 -0.000758987 23
6873 229 H 34.4557 15.9745 33.0784 -0.0033643 3.73345e-05 -0.00883904 23
6874 230 H 35.3615 16.5352 35.3904 -0.00181603 -0.0130373 -0.0105411 23
6875 231 H 34.8845 18.1574 35.2257 -0.00210314 0.00727344 -0.0174078 23
6876 232 H 32.5213 17.3007 34.6678 -0.00539294 -0.000792853 0.00438425 23
6877 233 H 33.0365 15.7723 35.3582 -0.000524423 -0.000827147 0.00834435 23
6878 234 H 32.7652 18.4539 36.754 0.0135449 0.00198228 0.0128405 23
6879 235 H 31.8317 16.9702 36.9284 0.00833188 -0.00959966 -0.00140544 23
6880 236 H 33.9997 15.9853 38.0493 -0.0129509 -0.00689289 -0.00352648 23
6881 237 H 34.5641 17.6352 38.0356 0.0010303 -0.00581677 0.00652143 23
6882 238 H 32.6925 18.5637 39.1981 0.00957325 0.00259372 0.0159037 23
6883 239 H 31.8112 17.0541 39.2834 0.00211253 -0.00914854 -0.00885582 23
6884 240 H 33.8258 15.9872 40.4758 -0.00430536 -0.00196391 0.00382499 23
6885 241 H 34.4619 17.6337 40.6263 -0.00201187 0.00522079 -0.00429709 23
6886 242 H 32.5679 18.4481 41.8634 -0.00112312 3.21203e-05 -0.00310693 23
6887 243 H 31.7337 16.9138 41.7545 0.00556063 -0.0157854 0.00839262 23
6888 244 H 33.5885 15.7979 43.0375 -0.00293443 -0.00102343 -0.000128768 23
6889 245 H 34.3788 17.3732 43.1791 0.00526072 -0.00499905 0.0140298 23
6890 246 H 32.5257 18.1876 44.5615 0.000136079 -0.00342618 0.00474263 23
6891 247 H 31.5489 16.7621 44.4218 0.00496301 -0.014004 0.00625168 23
6892 248 H 33.5773 15.5508 45.4785 0.015956 0.00381656 -0.00654842 23
6893 249 H 34.3481 17.1267 45.6898 0.000708543 0.00758256 0.00204931 23
6894 250 H 31.5267 16.3798 46.7696 -0.00110986 -0.00445837 0.0129907 23
6895 251 H 33.028 16.1449 47.7249 0.000151641 0.00600665 0.0064944 23
6896 252 H 32.4983 17.7867 47.2224 0.00493573 -0.005452 0.00617998 23
6897 253 H 41.704 20.47 33.6982 -0.000222748 0.00837784 0.000495178 23
6898 254 H 40.2627 21.5021 33.5002 0.0112238 0.00116975 -0.00707505 23
6899 255 H 39.4546 20.8408 35.7142 -0.000706034 0.00830667 -0.0100265 23
6900 256 H 40.9624 19.9183 36.027 0.0149654 0.00672679 0.000608822 23
6901 257 H 42.3234 21.8704 35.6988 0.00257637 0.010364 0.000430878 23
6902 258 H 40.8911 22.8226 35.1734 -0.00872007 -0.0125483 -0.00761957 23
6903 259 H 40.8425 23.6219 37.3635 -0.00183351 -0.00107255 -0.000855299 23
6904 260 H 40.0403 22.0895 37.6606 0.00825713 -0.01023 0.0138277 23
6905 261 H 43.072 22.2599 37.8223 -0.000520612 -0.00299832 -0.0130486 23
6906 262 H 42.0907 22.7862 39.223 -0.0192651 -0.0038937 -0.00123094 23
6907 263 H 41.7057 20.0548 38.0596 -0.0161849 0.00849445 0.00084504 23
6908 264 H 42.9518 20.3969 39.3138 0.00127374 -0.0059742 -0.00275444 23
6909 265 H 40.1221 21.2965 39.7594 -0.00605215 -0.0132878 -0.00442873 23
6910 266 H 40.5986 19.6207 39.9567 -0.00619198 0.00490306 0.00646048 23
6911 267 H 42.4911 20.5182 41.5241 0.00111924 -0.00343087 -0.0113748 23
6912 268 H 41.7742 22.1044 41.3564 0.00985505 -0.0055554 0.0123745 23
6913 269 H 39.8094 21.4389 42.5404 -0.00285271 -0.00298614 0.00393956 23
6914 270 H 40.0612 19.7317 42.1824 0.00358001 0.00290609 -0.00679858 23
6915 271 H 40.395 20.1402 44.4863 -0.00604884 0.00261975 -0.00544495 23
6916 272 H 41.9507 19.6687 43.8368 0.0013874 -0.00182239 -0.00247904 23
6917 273 H 42.7624 22.0139 43.91 -0.00392443 -0.00249454 -0.00690199 23
6918 274 H 41.1417 22.5701 44.2773 0.00222033 0.00425759 -0.00996556 23
6919 275 H 42.4194 22.4155 46.5202 0.0201916 -0.0117519 0.00507583 23
6920 276 H 41.1098 21.2069 46.3769 0.0048088 0.00440058 0.0124016 23
6921 277 H 42.7724 20.7373 46.1042 0.00197076 0.000352295 0.00900962 23
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6923 279 H 42.1491 14.006 34.1163 0.00176039 -0.000627385 -0.000566674 23
6924 280 H 39.608 13.3077 35.777 -0.0023922 -0.00552739 -0.00753728 23
6925 281 H 40.931 14.4889 36.2194 -0.00162008 -0.00414146 -0.000743531 23
6926 282 H 42.4201 12.2723 35.813 0.00409749 -0.00141497 0.00424316 23
6927 283 H 40.9715 11.5527 36.4866 0.00244859 0.000991104 -0.0104095 23
6928 284 H 42.1569 13.9268 37.872 0.00460246 0.000530082 -0.000814671 23
6929 285 H 42.9291 12.318 38.0625 7.22928e-05 0.00362497 -0.00957896 23
6930 286 H 40.7212 11.4432 38.91 -0.0144115 0.00423875 -0.0205544 23
6931 287 H 40.1561 13.0678 38.8987 0.00400273 0.0059429 0.00565571 23
6932 288 H 42.1423 13.8199 40.3662 -0.00893617 -0.00106721 -0.00728335 23
6933 289 H 42.6199 12.1279 40.5403 -0.0073647 -0.0078211 -0.00313946 23
6934 290 H 40.3758 11.6829 41.5688 -0.00308036 0.00358554 -0.00858736 23
6935 291 H 40.0742 13.4669 41.4597 -0.00846428 -0.00493737 0.00563079 23
6936 292 H 42.12 13.8459 42.8957 0.0090294 0.000386346 -0.00262457 23
6937 293 H 42.4143 12.1502 42.9645 0.0068184 0.0120449 -0.0010862 23
6938 294 H 40.1158 11.8839 44.3098 -0.00597976 0.00466658 0.000985188 23
6939 295 H 39.7443 13.4374 43.8146 -0.000956506 -0.00487303 0.00711043 23
6940 296 H 40.2844 13.6344 46.0707 0.000617896 -0.000946414 -0.00124643 23
6941 297 H 41.5429 14.4321 45.2564 -0.00169785 -0.00182405 -0.0279134 23
6942 298 H 42.8253 13.2268 46.822 -0.00750282 -0.00404179 0.00272429 23
6943 299 H 42.8986 12.1692 45.4166 -0.0103625 -0.00279593 -0.00932366 23
6944 300 H 40.8553 10.8644 46.3459 0.00616796 -0.00355903 -0.00890345 23
6945 301 H 40.9841 11.948 47.7808 0.00631106 -0.0151486 0.012507 23
6946 302 H 42.2537 10.7965 47.4563 -0.000933425 -0.010924 -0.0200476 23
6947 1 C 44.816 27.1551 31.1882 0.00510499 -0.00468808 0.00404753 24
6948 2 C 44.9634 27.0741 29.8349 0.0018342 0.00211454 -0.00583465 24
6949 3 C 44.4473 25.9677 29.1495 0.000631063 -0.00112469 4.95645e-05 24
6950 4 C 43.821 24.9412 29.8568 0.000196864 0.00420761 -0.00274434 24
6951 5 C 43.5781 25.0436 31.2329 -0.000615022 0.00354069 -0.00247097 24
6952 6 C 44.0992 26.1756 31.9247 -0.000800401 0.0042709 -0.0034042 24
6953 7 C 39.2403 23.5536 30.4591 0.00162719 0.00240664 0.00291309 24
6954 8 C 39.4884 23.5044 29.0627 -0.00139799 -0.00219866 -0.00138905 24
6955 9 C 40.7833 23.5274 28.6276 -0.00102664 0.000883884 0.000591624 24
6956 10 C 41.8375 23.636 29.517 -0.00187538 0.000954595 -0.00328585 24
6957 11 C 41.5684 23.7292 30.9133 0.00454203 0.000351921 0.00360195 24
6958 12 C 40.2443 23.6575 31.4185 -0.00442633 -0.000949356 0.0043812 24
6959 13 C 44.8429 20.4836 31.7065 -0.00311467 -0.00540139 0.00194407 24
6960 14 C 45.1386 20.4549 30.3158 0.00248687 -0.00234866 0.00107752 24
6961 15 C 44.6554 21.4175 29.4664 0.00397274 -0.00212916 -0.00105409 24
6962 16 C 43.9223 22.5226 30.012 -0.00233859 0.000144431 0.00456082 24
6963 17 C 43.319 23.6668 29.1899 0.000730247 0.00196486 0.00506876 24
6964 18 O 43.8178 21.6034 33.6437 -0.000694517 0.00337824 -0.00473694 24
6965 19 O 39.9918 23.7035 32.7814 -0.00453266 -0.00262234 -0.00220154 24
6966 20 O 43.9043 26.3384 33.2854 -0.000549032 0.000682631 -0.000204637 24
6967 21 C 44.111 21.5464 32.2747 -0.00549366 -0.00213562 0.00258798 24
6968 22 C 43.6831 23.5619 27.7457 -0.00143799 0.00191209 0.00224587 24
6969 23 C 44.1472 23.5352 26.6218 -0.00206793 -0.00128009 0.00124542 24
6970 24 C 44.8414 23.5802 25.3884 -0.00111737 0.000326595 0.00837274 24
6971 25 C 46.0491 22.8713 25.2898 0.00400825 0.000918061 -0.00335222 24
6972 26 C 46.8343 22.9742 24.1175 0.00152102 -0.0019895 0.00111151 24
6973 27 C 46.4401 23.8019 23.0269 0.00172543 0.00400773 0.0011955 24
6974 28 C 45.2117 24.5079 23.1741 0.00442366 0.00067746 0.00215976 24
6975 29 C 44.4015 24.4096 24.3085 -0.000576352 -0.00379975 -0.00014049 24
6976 30 C 47.1914 23.8613 21.8135 -0.00276664 0.00216549 -0.00448141 24
6977 31 C 47.6746 23.9034 20.6922 0.00151373 -0.00402598 0.00316928 24
6978 32 C 45.9475 20.7857 18.3124 -0.00153086 -0.000459008 -0.00478215 24
6979 33 C 46.0139 20.8581 16.9145 0.002574 -0.00304085 0.00560589 24
6980 34 C 46.7572 21.8779 16.3014 0.000671462 -0.00330174 0.00541374 24
6981 35 C 47.3946 22.8241 17.101 -0.000214228 0.00326807 2.49025e-05 24
6982 36 C 47.2894 22.7434 18.5154 -0.00124327 -0.00068187 0.00111717 24
6983 37 C 46.6111 21.6806 19.134 -0.0026328 -0.000580219 0.00106381 24
6984 38 C 47.972 23.8964 19.2413 -0.0077922 -0.00233849 -0.00214069 24
6985 39 C 51.8749 23.6814 18.9564 -0.0023021 0.0036217 -0.00315277 24
6986 40 C 51.9887 23.6843 17.5638 -0.00127809 -1.6039e-05 -0.00204133 24
6987 41 C 50.8486 23.7317 16.7631 -0.00121443 -0.00196294 0.00037075 24
6988 42 C 49.6012 23.7841 17.3693 0.00241761 -0.00119713 0.000861103 24
6989 43 C 49.4677 23.8133 18.7736 -0.00112996 -0.00106325 -0.00201213 24
6990 44 C 50.6138 23.7232 19.583 -0.00253997 0.00350867 -0.0012869 24
6991 45 C 46.3664 27.362 18.4578 -0.00362096 0.000356975 -0.00265574 24
6992 46 C 46.5934 27.4157 17.0532 0.00127221 -0.00148633 0.000302148 24
6993 47 C 47.1392 26.3036 16.3941 0.00336281 -0.00261441 -0.00232623 24
6994 48 C 47.5989 25.2011 17.1386 0.00194631 -0.000451643 0.00086974 24
6995 49 C 48.2673 23.9666 16.5616 0.00579186 -0.000310861 -0.000859728 24
6996 50 C 47.4545 25.1732 18.5422 -0.00565221 -0.00368668 0.000854886 24
6997 51 C 46.8797 26.2925 19.1796 -0.00166598 -0.00261915 0.00184156 24
6998 52 O 50.8299 23.7211 15.422 -0.000298492 0.00186894 0.00123368 24
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7000 54 O 47.3809 26.3399 15.0507 -0.000646633 -0.00077353 0.00243487 24
7001 55 C 42.8179 23.819 31.7975 -0.00214535 -0.00241303 -0.00173382 24
7002 56 C 43.6587 22.5784 31.4195 -0.00249793 -0.00140564 0.00119809 24
7003 57 C 51.6069 22.7848 14.6418 0.00123104 0.00311177 -0.002231 24
7004 58 C 50.7101 22.2637 13.503 -0.00210043 5.82389e-05 -0.00098416 24
7005 59 C 50.2036 23.3088 12.4504 -0.00180279 0.00317329 0.00203632 24
7006 60 C 50.427 22.8039 11.0063 -0.00593123 0.00279952 0.00440923 24
7007 61 C 49.8772 23.6729 9.84933 0.00294765 -0.000624511 0.00326297 24
7008 62 C 50.4263 23.1318 8.53054 0.00041183 -0.000661143 -0.00274328 24
7009 63 C 49.662 23.593 7.26108 9.5499e-05 0.00046703 0.000897924 24
7010 64 C 50.1934 22.8987 6.00757 -0.00115445 0.0050343 -0.0032921 24
7011 65 C 49.5197 23.4037 4.71614 -0.000926188 -0.00106052 -0.000181651 24
7012 66 C 50.1061 22.7521 3.45852 -0.00220343 -0.000337434 0.00037474 24
7013 67 C 49.941 23.6753 2.20163 0.00697602 0.00130394 0.00140171 24
7014 68 C 50.555 22.9969 0.976332 -0.00158332 0.00342017 0.00129009 24
7015 69 F 48.0087 22.2942 24.0579 0.00282555 -0.00168797 -0.00202597 24
7016 70 C 46.5007 20.7415 14.1478 0.00142491 0.00213073 -0.00537545 24
7017 71 C 47.1442 20.7488 12.7681 0.00172521 0.00253911 0.000641277 24
7018 72 C 46.315 21.4243 11.6902 -0.000297371 -0.0022513 0.001077 24
7019 73 C 46.8871 21.057 10.3132 -0.00292667 -0.00153507 0.00565771 24
7020 74 C 46.2198 21.7014 9.06009 -0.000402623 0.00162889 -0.00246464 24
7021 75 C 46.7029 20.9775 7.77328 -0.00272485 -0.000731911 -0.000412724 24
7022 76 C 46.1512 21.5079 6.44116 0.00219533 0.00138607 0.0012227 24
7023 77 C 46.7897 20.6315 5.30939 -0.00385057 -0.00498541 0.000364712 24
7024 78 C 46.1013 20.5899 3.93017 0.00202159 0.00194492 0.00233839 24
7025 79 C 46.2 21.9521 3.24599 -0.00355669 -0.00046852 -0.00237626 24
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7249 1 C 1.78108 33.8604 31.1759 0.00288638 0.000562209 0.0020794 25
7250 2 C 2.13875 33.7486 29.8578 0.00100166 -0.0054329 0.00156476 25
7251 3 C 1.58038 32.7737 29.0684 2.16601e-05 0.00221418 0.000521601 25
7252 4 C 0.748443 31.8085 29.7231 0.00296704 0.000323837 1.06635e-05 25
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7254 6 C 0.918605 32.9775 31.826 0.000814731 -0.000879378 0.00078152 25
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7557 7 C 0.113272 36.9731 29.9701 0.00462167 -0.00224722 -0.000239255 26
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7574 24 C 6.03051 37.271 25.1318 -0.00144793 -0.000441685 0.00145188 26
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7576 26 C 8.06845 36.6738 23.9342 -0.00374655 -0.00161484 1.41718e-05 26
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7649 99 C -1.85205 38.1377 38.9217 0.00210899 0.000900946 -0.000627964 26
7650 100 C -1.54358 36.8316 39.713 0.000241614 0.00210151 -0.00143676 26
7651 101 C -2.33915 36.778 41.0289 0.000119516 0.000448855 -7.77908e-05 26
7652 102 C -1.67063 37.3685 42.3004 0.00605588 -0.00259817 0.00237178 26
7653 103 C -2.49677 37.1206 43.6052 -0.00111059 0.00215229 0.00263205 26
7654 104 C -1.8266 37.9207 44.7405 -0.00130366 0.0033463 -0.00372088 26
7655 105 C -2.31603 37.5401 46.1493 0.00301492 0.00359943 0.00203658 26
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7662 112 C 6.12482 42.4607 40.6548 0.000407939 0.000100667 0.00302537 26
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7669 119 C 5.02867 34.1268 35.3802 -0.00101132 0.00168433 0.00224461 26
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7676 126 C 6.56277 32.521 43.5906 -0.000869458 0.000778945 0.00248098 26
7677 127 C 5.54249 32.4283 44.7567 0.00182279 0.000361653 0.00218241 26
7678 128 C 6.33952 32.2872 46.0716 0.00351517 0.00282662 -0.000131237 26
7679 129 C 5.48632 32.5592 47.3071 0.00464546 -0.00142737 0.00422929 26
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8163 9 C 9.25011 37.1891 28.7555 0.000580069 0.0051235 -0.000379233 28
8164 10 C 10.3639 37.2588 29.5971 0.00210927 -0.00097809 0.0027034 28
8165 11 C 10.2251 37.2629 31.0244 -0.00210943 -0.00211673 -0.000459942 28
8166 12 C 8.95718 37.2879 31.594 0.00334822 0.00148529 0.0015616 28
8167 13 C 13.619 34.011 31.2837 0.00270941 -0.00198495 0.000294241 28
8168 14 C 13.8319 34.0879 29.8972 -0.00217449 -0.00037602 0.00213482 28
8169 15 C 13.2696 35.0919 29.1422 -0.00403605 0.00234048 0.000367415 28
8170 16 C 12.5018 36.1072 29.7833 -0.000673273 -0.00561196 0.00421891 28
8171 17 C 11.8656 37.3642 29.1462 -0.00194653 -0.000501544 -0.00261954 28
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8176 22 C 12.1297 37.3756 27.7065 0.00287036 -0.00458219 5.57822e-06 28
8177 23 C 12.6153 37.4175 26.6038 0.00323927 0.00238986 -0.00157529 28
8178 24 C 13.4064 37.5107 25.4045 0.00276133 -7.01644e-05 0.00310354 28
8179 25 C 13.5779 38.7376 24.7317 -0.00467442 0.00530524 0.00113091 28
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8181 27 C 15.2396 37.6754 23.2746 0.000940998 -0.00192016 -0.00201581 28
8182 28 C 15.0443 36.4641 23.9346 0.00134622 0.00579336 0.00614978 28
8183 29 C 14.1009 36.3867 24.9829 0.000557836 -0.0020427 0.00291897 28
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8185 31 C 16.4439 37.6061 20.928 0.00259077 -0.00203893 -0.000456481 28
8186 32 C 14.856 34.366 18.4222 0.0031193 0.00324796 -0.00195291 28
8187 33 C 14.9574 34.499 17.0211 0.00133674 -0.000128879 0.00256935 28
8188 34 C 15.6519 35.594 16.4486 -0.00173894 8.42416e-05 0.000632777 28
8189 35 C 16.2217 36.5361 17.3493 -0.000861775 0.00138315 0.000768563 28
8190 36 C 16.0618 36.4605 18.7524 -0.000903382 0.00256201 0.000969167 28
8191 37 C 15.4125 35.3138 19.3047 -0.000915364 0.00165253 0.00277036 28
8192 38 C 16.7312 37.6357 19.4795 0.000665625 0.00100674 0.000438022 28
8193 39 C 20.5825 37.8666 19.2367 -0.00100793 0.00432621 0.00170352 28
8194 40 C 20.7131 37.866 17.835 0.000271939 0.00334921 0.000400315 28
8195 41 C 19.5986 37.7867 16.9934 0.00505375 0.00328466 -0.00116512 28
8196 42 C 18.3235 37.6782 17.5999 0.00276434 0.00477167 0.00155757 28
8197 43 C 18.2048 37.6664 19.0076 -6.57886e-05 -0.00230794 -0.00204136 28
8198 44 C 19.3408 37.758 19.8316 0.000736699 0.0032663 0.000849444 28
8199 45 C 15.1463 41.1303 18.8364 -0.00348612 -0.000831436 0.0039798 28
8200 46 C 15.2389 41.1429 17.4357 -0.00299381 -0.00398976 -0.000599534 28
8201 47 C 15.8322 40.0824 16.7403 0.00466512 0.0014296 -0.00148903 28
8202 48 C 16.2695 38.9576 17.435 0.00276404 -0.00340745 -0.00169597 28
8203 49 C 17.0032 37.7406 16.8687 0.00252554 0.000435539 0.00340441 28
8204 50 C 16.1051 38.8995 18.8495 0.000214021 -0.0023489 0.000769044 28
8205 51 C 15.6183 40.0343 19.5437 0.000358962 0.000994872 0.00267067 28
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8210 56 C 12.2859 36.0838 31.2047 -0.00307867 -0.00213698 -0.00134412 28
8211 57 C 20.4138 36.5698 15.0218 -0.00237204 0.00675873 -0.00400147 28
8212 58 C 19.5012 35.9268 13.9677 -0.00322717 -0.00284795 0.00147977 28
8213 59 C 19.209 36.8119 12.7271 -0.0015621 -0.00240154 0.000275871 28
8214 60 C 18.7863 36.0454 11.468 -0.00130413 0.000667622 0.000999813 28
8215 61 C 18.5077 37.0526 10.3492 0.00249963 0.00132801 0.00131372 28
8216 62 C 18.412 36.4673 8.91177 0.00246429 0.00183493 0.00192236 28
8217 63 C 18.3896 37.5643 7.76545 0.00266162 -0.00203596 0.000973259 28
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8219 65 C 18.3665 37.8768 5.2784 0.000309208 0.00209128 0.00181146 28
8220 66 C 18.5186 37.2328 3.87542 0.00268978 0.00045255 0.000590848 28
8221 67 C 18.16 38.2095 2.74627 0.0040759 0.00492963 0.00120523 28
8222 68 C 18.3049 37.6368 1.33863 -0.00426203 0.00155718 0.00118281 28
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8224 70 C 15.4092 34.8952 14.0768 0.00226003 0.00346891 0.00433401 28
8225 71 C 15.2321 35.6736 12.7598 -0.0030004 0.00145884 -0.000955947 28
8226 72 C 15.0395 34.7645 11.554 -0.00358791 0.00144823 0.00203306 28
8227 73 C 14.8933 35.5477 10.2407 0.00436489 0.00175738 -0.00265508 28
8228 74 C 14.8076 34.6723 9.00464 0.000303516 0.00035203 -0.00142363 28
8229 75 C 14.6839 35.5406 7.78263 -0.00120333 -0.00342351 0.00101219 28
8230 76 C 14.6841 34.7906 6.42756 -0.000196346 0.00494042 0.00470699 28
8231 77 C 14.9332 35.6761 5.23073 -0.00259088 0.00232256 -0.00123913 28
8232 78 C 14.6663 35.0071 3.86049 0.00088471 0.000254818 -0.000681074 28
8233 79 C 14.7014 36.0646 2.77363 0.00260804 -0.00205427 -0.00261405 28
8234 80 C 14.3512 35.522 1.38485 -0.00314406 -0.00328153 0.00822628 28
8235 81 C 14.2473 36.6852 0.370743 0.00119411 -0.00016458 -0.00158423 28
8236 82 C 17.1912 40.3924 14.7469 0.00204348 -0.000271961 5.18045e-05 28
8237 83 C 16.8892 40.1712 13.2759 -0.00147769 -0.00236935 0.0026179 28
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8239 85 C 18.0461 41.9388 11.7902 -0.00282736 -0.00269165 -0.000347056 28
8240 86 C 18.9181 42.1889 10.5683 0.00322337 0.00149055 0.000317837 28
8241 87 C 18.2783 41.683 9.28149 -0.0030265 -0.00332997 0.00680911 28
8242 88 C 19.0883 42.0287 7.99311 -0.00251775 0.00260003 -0.00252653 28
8243 89 C 18.4138 41.5649 6.70455 -0.000781701 -0.00216254 -0.0014636 28
8244 90 C 18.9246 42.3394 5.46683 -0.00334508 0.00260887 0.00163575 28
8245 91 C 18.3961 41.6844 4.17161 0.00043623 -0.0023515 -0.00107443 28
8246 92 C 18.7401 42.4579 2.91446 -0.000136362 -0.00159527 -0.00275582 28
8247 93 C 18.33 41.7632 1.6181 0.000505499 0.00377679 0.00151537 28
8248 94 C 7.42874 37.3643 33.5769 -0.00321721 -0.00395136 0.000423523 28
8249 95 C 7.53137 37.8078 35.0809 -0.00160638 0.0021638 -0.00511792 28
8250 96 C 6.35183 37.3868 35.9724 -0.00468555 0.000722578 0.00412436 28
8251 97 C 6.31 38.1132 37.3161 -0.00156905 -0.000480928 0.000689981 28
8252 98 C 5.97211 37.2855 38.5249 -0.00013955 -0.00113601 -0.00230405 28
8253 99 C 6.04773 38.0514 39.8423 0.00170759 -0.00350891 -0.00268021 28
8254 100 C 5.69059 37.1778 41.0825 -0.00116675 0.00188607 -0.00330719 28
8255 101 C 6.03711 37.8734 42.4383 -0.00124307 -0.00245849 -0.00364564 28
8256 102 C 5.80287 36.8315 43.5834 0.00266676 -0.00189149 -0.00189265 28
8257 103 C 6.14833 37.2942 44.9689 0.000644811 0.00376442 0.000302471 28
8258 104 C 6.02157 36.0946 45.9613 -0.00148316 0.00246606 -0.00277618 28
8259 105 C 6.85079 36.2673 47.2527 0.000340461 0.00193764 -0.00142986 28
8260 106 C 13.8464 40.0694 34.1851 -0.000858791 -0.000908575 -0.00143045 28
8261 107 C 13.4159 41.243 35.0581 -0.00233083 0.00101851 0.00285734 28
8262 108 C 14.2254 41.3751 36.3641 -0.0069767 0.00546865 0.00175025 28
8263 109 C 13.749 42.403 37.3956 0.00121503 -0.00300561 0.00191435 28
8264 110 C 14.4428 42.2959 38.7674 -0.000553098 -0.00567238 -0.00162914 28
8265 111 C 13.9289 41.1374 39.6572 -0.0015812 -0.00279444 -0.000755589 28
8266 112 C 13.1736 41.5749 40.9259 0.00135823 0.00095371 0.00519412 28
8267 113 C 14.054 42.1998 42.0183 -0.00171831 -0.000125646 -0.00162601 28
8268 114 C 13.364 42.1647 43.4171 -0.00135213 0.0010149 0.000411528 28
8269 115 C 14.325 42.4158 44.5939 0.00286428 0.0049277 -0.000640307 28
8270 116 C 13.5702 42.4176 45.9579 0.000905244 0.00044308 -0.000118354 28
8271 117 C 14.5508 42.4794 47.1397 0.00175125 -0.0016346 0.00142946 28
8272 118 C 12.4768 33.5265 33.7904 0.000495602 0.000326153 -0.00352315 28
8273 119 C 13.7604 33.1766 34.5551 0.0020751 0.00337017 0.00122814 28
8274 120 C 13.5468 32.9648 36.0684 0.0018406 -0.00129591 -0.00341476 28
8275 121 C 14.5082 32.0128 36.7728 0.00104052 -0.00289558 -0.000355989 28
8276 122 C 14.1211 31.7852 38.2644 8.53617e-06 0.00372257 0.00102003 28
8277 123 C 14.1507 33.029 39.1661 0.000677523 0.000714242 -0.00123995 28
8278 124 C 14.0761 32.5945 40.6505 0.00563896 -0.00116387 0.00234223 28
8279 125 C 14.2703 33.7442 41.6843 0.00277989 -0.00186685 0.00172998 28
8280 126 C 14.4047 33.2002 43.1035 -0.00217179 0.00127573 -0.00219399 28
8281 127 C 14.459 34.3301 44.1467 -0.000618316 0.000907519 -0.000651016 28
8282 128 C 14.6837 33.8826 45.6003 0.00115247 0.00186581 0.00457564 28
8283 129 C 13.5919 32.9635 46.1313 0.00182925 0.00159592 -0.00159162 28
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8305 151 H 15.6048 40.0101 20.6293 0.00501232 0.00604417 0.0028346 28
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8307 153 H 21.3036 36.9393 14.4972 -0.00678236 0.00377328 -0.0136016 28
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8314 160 H 19.5711 35.3488 11.1482 -0.00374362 -0.00947945 0.0170966 28
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8364 210 H 18.402 42.5996 12.5903 -0.00217949 0.00978964 -0.0109226 28
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8389 235 H 5.55723 38.9037 37.2075 -0.000594881 0.000140596 -0.00157135 28
8390 236 H 4.94089 36.9148 38.4745 -0.00226994 0.0043415 0.000766359 28
8391 237 H 6.6872 36.4547 38.5679 0.0119884 0.00964099 0.00443963 28
8392 238 H 7.04733 38.4853 39.9688 0.00293743 -0.00306829 -0.0139082 28
8393 239 H 5.33982 38.8858 39.764 0.00103764 -0.00445249 -0.00672295 28
8394 240 H 4.64144 36.8576 41.0708 0.0019319 -0.00795697 -0.0130275 28
8395 241 H 6.21919 36.2184 41.0223 7.4251e-06 0.00237163 -0.00069027 28
8396 242 H 7.1008 38.1416 42.4452 3.40223e-05 -0.00755214 -0.00130645 28
8397 243 H 5.45838 38.7954 42.5741 0.00742986 0.00317169 -0.00487869 28
8398 244 H 4.74662 36.5368 43.5533 0.00438229 -0.00846492 0.00275306 28
8399 245 H 6.46383 35.9901 43.3415 -0.00401679 -0.0065304 -0.00395156 28
8400 246 H 7.1974 37.6114 44.9216 0.00287846 -0.00463205 -0.00682958 28
8401 247 H 5.52367 38.1203 45.3305 -0.0218141 -0.00349352 -0.0219818 28
8402 248 H 4.97365 35.8996 46.2206 -0.00190288 0.0168611 0.00630303 28
8403 249 H 6.37635 35.1568 45.5162 0.00470078 0.00238565 0.00230847 28
8404 250 H 6.68245 37.222 47.766 0.000972494 -0.00309876 0.00815036 28
8405 251 H 6.62501 35.4519 47.9509 -0.00566638 0.00450229 -0.000366711 28
8406 252 H 7.90666 36.2671 46.9551 0.00333754 -0.0117147 0.00936325 28
8407 253 H 14.1886 39.2565 34.8373 0.00106251 0.00555874 0.0055937 28
8408 254 H 14.7479 40.3018 33.6047 0.000619184 -0.00379693 -0.000301347 28
8409 255 H 13.4932 42.1743 34.4835 -0.0088312 0.00122975 0.00232351 28
8410 256 H 12.3612 41.1082 35.3279 -0.00119952 -0.00883363 0.00237315 28
8411 257 H 14.238 40.3791 36.8236 -0.00449187 0.00611235 0.00307831 28
8412 258 H 15.2648 41.5509 36.0607 -0.00621539 -0.0177352 -0.00931763 28
8413 259 H 13.8599 43.395 36.9406 0.0106964 -0.00168696 0.00713072 28
8414 260 H 12.6826 42.2599 37.6095 -1.86822e-05 0.00176799 -0.00106622 28
8415 261 H 15.5088 42.2109 38.5232 0.00145856 0.00364059 0.00386745 28
8416 262 H 14.3758 43.2347 39.3309 -0.0115302 -0.00523566 -0.00368316 28
8417 263 H 13.2673 40.4483 39.1179 0.00208575 -0.00778568 0.00112502 28
8418 264 H 14.792 40.5769 40.0371 -0.0104221 -0.0159801 -0.000123863 28
8419 265 H 12.3787 42.2935 40.6911 0.00641227 0.00713313 0.00697354 28
8420 266 H 12.6925 40.6786 41.3366 -0.00942437 0.00502043 0.00143497 28
8421 267 H 14.9703 41.5994 42.0765 -0.00053037 0.00172785 -0.00118255 28
8422 268 H 14.4401 43.1951 41.7659 0.0117809 -0.00399865 0.00360766 28
8423 269 H 12.5137 42.8545 43.3494 0.000333023 0.00366948 0.00666593 28
8424 270 H 12.9604 41.1462 43.4735 -0.0117386 0.00604202 0.0157736 28
8425 271 H 15.0868 41.6264 44.6012 0.00513611 0.00700795 -0.0139186 28
8426 272 H 14.7698 43.4021 44.4132 0.00835448 0.00018212 -0.0130063 28
8427 273 H 12.8525 43.2472 45.9469 0.00249407 0.00179483 -0.00231731 28
8428 274 H 12.9893 41.4879 45.9971 0.0147788 -0.00842791 -0.00442994 28
8429 275 H 14.9657 43.4868 47.2675 0.0117326 -0.00696443 0.0109673 28
8430 276 H 13.9874 42.1268 48.0124 -0.00708731 0.0103357 0.000549299 28
8431 277 H 15.3634 41.7583 46.9874 -0.000459727 -0.00637414 0.0120146 28
8432 278 H 11.6048 33.4316 34.4493 0.000771859 -0.0189761 -0.00594078 28
8433 279 H 12.329 32.8114 32.9718 -0.00176978 0.000794305 -0.00352133 28
8434 280 H 14.5309 33.9455 34.4188 0.0133862 -0.00786472 0.00164901 28
8435 281 H 14.1876 32.2563 34.1379 -0.00200719 -0.00499308 0.0154851 28
8436 282 H 12.4942 32.7275 36.2665 0.00730083 -0.0113178 0.0134605 28
8437 283 H 13.6558 33.9503 36.5379 -0.015208 9.55595e-05 -0.00236804 28
8438 284 H 15.5419 32.3785 36.7397 0.00315946 -0.00746898 0.0148612 28
8439 285 H 14.5949 31.0852 36.1936 0.0100289 0.0029326 -0.00839551 28
8440 286 H 14.8536 31.0871 38.6883 0.000828926 -0.00313198 -0.0117166 28
8441 287 H 13.1033 31.378 38.3046 -0.00246111 0.00955528 -0.00209249 28
8442 288 H 13.3167 33.7053 38.9412 -0.00130659 -0.00228737 -0.00290509 28
8443 289 H 15.091 33.5598 38.9726 0.00958662 -0.0106425 0.0108993 28
8444 290 H 14.8803 31.8654 40.809 0.00724845 0.000147056 0.000230868 28
8445 291 H 13.1175 32.1068 40.8664 0.00165196 0.00770571 0.00473081 28
8446 292 H 13.4328 34.4516 41.6438 0.00429499 -0.000170559 -2.32771e-05 28
8447 293 H 15.1669 34.3267 41.4391 0.00258863 -0.00228653 3.36045e-05 28
8448 294 H 15.2604 32.5239 43.2216 0.00241857 0.00578956 -0.00974041 28
8449 295 H 13.5262 32.5538 43.2216 -0.00471856 0.00451259 -0.00343416 28
8450 296 H 13.5527 34.9422 44.0614 0.00081386 0.00381694 0.00501368 28
8451 297 H 15.2926 35.0003 43.9031 -0.012902 0.0152827 -0.00314102 28
8452 298 H 14.7889 34.7496 46.264 -0.00593061 0.0037494 0.00323472 28
8453 299 H 15.626 33.3222 45.6405 0.0044724 0.00683412 -0.00396597 28
8454 300 H 12.6548 33.5274 46.2174 0.002884 0.00386837 -0.00498602 28
8455 301 H 13.8734 32.6797 47.1529 0.00297625 -0.0107959 -0.00537437 28
8456 302 H 13.4348 32.0865 45.4914 -0.0149993 0.000573489 0.00394284 28
8457 1 C 17.3576 33.8407 31.2895 -0.00660594 0.00533241 0.000493291 29
8458 2 C 17.4186 33.7781 29.8883 -0.00495983 -0.00404304 0.00507886 29
8459 3 C 16.8998 32.7109 29.193 0.00102734 0.00121143 -0.000929331 29
8460 4 C 16.3542 31.6478 29.938 -0.00459741 0.0038151 -0.00153519 29
8461 5 C 16.2863 31.6541 31.3553 -0.00226857 0.00389599 0.00289644 29
8462 6 C 16.758 32.7979 32.0525 -0.00113428 -0.00427369 0.000756427 29
8463 7 C 11.7599 30.2579 30.874 -0.00279675 -0.00279374 -0.00109222 29
8464 8 C 11.9035 30.1683 29.4868 -0.00267001 0.00460755 -0.000863374 29
8465 9 C 13.1755 30.2416 28.9101 -0.0024365 0.0034168 0.00433253 29
8466 10 C 14.2889 30.4139 29.7565 0.00278022 0.00327933 -0.000362112 29
8467 11 C 14.1846 30.437 31.1719 -0.00145204 0.00370129 0.00043451 29
8468 12 C 12.8826 30.3924 31.7447 -0.00130927 -0.00073411 -0.00244618 29
8469 13 C 17.2744 26.9699 31.3465 0.00448431 0.00101284 0.00254206 29
8470 14 C 17.3734 26.9935 29.9335 -0.00332474 -0.00303979 0.00154169 29
8471 15 C 16.9267 28.1115 29.207 0.000851636 -0.00295273 -0.00326606 29
8472 16 C 16.3705 29.1861 29.9314 -0.000218192 -0.00114497 0.00167219 29
8473 17 C 15.7341 30.4189 29.2441 -0.000333176 -0.00156084 0.0037735 29
8474 18 O 16.6588 27.9079 33.4777 -0.00216955 0.00124784 -0.00234442 29
8475 19 O 12.6865 30.3505 33.1353 -0.00189941 -0.000318882 -0.0015342 29
8476 20 O 16.7427 32.8757 33.4537 0.000478273 -0.00425123 -0.000534331 29
8477 21 C 16.7319 28.0422 32.0795 0.00386324 7.05568e-05 0.00147417 29
8478 22 C 15.9899 30.393 27.8 -0.00372376 -0.00133756 -0.00252867 29
8479 23 C 16.4686 30.3917 26.6702 -0.000790379 0.0042141 0.00368439 29
8480 24 C 17.2423 30.5596 25.4831 -0.000615379 0.00421108 -0.00118598 29
8481 25 C 17.0607 31.6763 24.6819 0.00274066 -0.00384383 0.00407641 29
8482 26 C 18.0371 31.9429 23.654 -0.0039319 0.00257233 -0.000610866 29
8483 27 C 19.1758 31.1401 23.5622 -0.00143705 -0.00376853 5.0676e-05 29
8484 28 C 19.3169 29.9893 24.3304 -0.00010277 -0.00125748 -0.00296084 29
8485 29 C 18.3411 29.7422 25.2967 -0.00465876 -0.00156717 -0.000530768 29
8486 30 C 19.9768 31.2546 22.3867 0.00333348 0.00296703 -0.00605754 29
8487 31 C 20.4947 31.2268 21.2876 -0.00219614 0.0027642 -0.000231538 29
8488 32 C 19.1334 27.6875 19.2141 0.00144639 0.00507208 0.00121769 29
8489 33 C 19.5233 27.5192 17.8545 0.0026781 -0.00297534 -0.000158756 29
8490 34 C 20.1376 28.5978 17.1268 -0.00262756 0.00310147 0.000593279 29
8491 35 C 20.358 29.8282 17.7989 -0.00191329 0.000473297 -0.00100647 29
8492 36 C 20.1487 29.9032 19.1961 0.00131287 0.00570116 0.00507277 29
8493 37 C 19.4877 28.8619 19.8711 -0.0010491 0.00524587 -0.00423545 29
8494 38 C 20.751 31.1577 19.8303 -0.0010734 -0.00365168 0.00152002 29
8495 39 C 24.5918 30.9491 19.6382 0.0028634 0.000280237 0.000358568 29
8496 40 C 24.7989 30.9215 18.2321 0.00180536 0.00509834 -0.00363661 29
8497 41 C 23.6884 30.9585 17.3632 0.00156817 -0.00355024 -0.00282805 29
8498 42 C 22.3901 31.0528 17.9457 -0.00243409 -0.00281383 0.00183366 29
8499 43 C 22.2175 31.122 19.3538 0.00159822 -0.00143272 0.00208553 29
8500 44 C 23.3264 31.0266 20.1621 0.00351865 -0.00207927 -0.00100711 29
8501 45 C 18.9044 34.3649 18.724 -0.00229212 0.00436296 0.00306235 29
8502 46 C 19.0685 34.3124 17.3291 -0.00064405 0.00142989 -0.00198047 29
8503 47 C 19.8451 33.2546 16.807 -0.000723196 -0.00238883 0.00245394 29
8504 48 C 20.3249 32.2375 17.6735 -0.00304423 -0.00133082 0.000342668 29
8505 49 C 21.0661 31.012 17.1734 -0.000936515 -0.00614836 0.00572376 29
8506 50 C 20.1457 32.3495 19.0408 -0.000644575 0.0011999 -0.000259885 29
8507 51 C 19.4583 33.4375 19.5864 -0.00183552 -0.000594314 -7.56607e-05 29
8508 52 O 23.9094 31.0883 16.0214 0.00279322 0.00326357 0.00105306 29
8509 53 O 20.6403 28.402 15.8651 -0.00506044 0.0035408 -9.56502e-05 29
8510 54 O 20.0549 33.1417 15.4602 -0.00148294 -0.00237437 -0.00151041 29
8511 55 C 15.5608 30.4145 31.9195 0.00144965 -0.00265097 -0.00386341 29
8512 56 C 16.2633 29.182 31.3647 0.00135228 0.000916279 0.000595232 29
8513 57 C 23.4557 30.1239 15.0717 -0.00344322 0.000661957 0.000361964 29
8514 58 C 23.216 30.8415 13.7401 -0.000623197 0.000688317 -0.000605375 29
8515 59 C 22.5457 30.0231 12.6115 0.000980892 -4.114e-05 -0.000704832 29
8516 60 C 22.6544 30.7959 11.2563 -0.00145321 0.0011952 0.00232399 29
8517 61 C 22.0324 30.0937 10.0061 -0.00331811 -0.000786665 0.000478226 29
8518 62 C 21.9569 31.0593 8.83439 0.00392705 -0.00329353 -0.0050011 29
8519 63 C 21.6055 30.5106 7.43243 0.00327792 0.000789353 0.00489931 29
8520 64 C 22.8669 30.1294 6.59319 -0.00240464 -0.000854373 0.0020209 29
8521 65 C 22.7112 30.5143 5.11542 0.00151763 1.39438e-05 -0.00109285 29
8522 66 C 21.5565 29.9061 4.37915 0.00233196 -0.000277254 -0.00389727 29
8523 67 C 21.7149 30.1868 2.87015 0.00215336 0.000696758 -0.00388113 29
8524 68 C 20.562 29.6171 2.00657 0.000357885 2.10449e-05 -0.00441326 29
8525 69 F 17.9083 33.04 22.8689 -0.000133031 -0.000276543 0.00138681 29
8526 70 C 20.998 27.0699 15.3686 -0.00154866 0.00125632 -0.00152475 29
8527 71 C 21.74 27.1868 14.0462 -0.00388377 -0.00287027 0.00227177 29
8528 72 C 21.9929 25.7494 13.527 0.00120042 0.00614447 0.00177081 29
8529 73 C 22.5575 25.6257 12.1187 8.2151e-05 0.00198702 -0.00082941 29
8530 74 C 21.7405 26.2356 11.0073 0.00195155 -8.30065e-05 -0.00222025 29
8531 75 C 22.2576 25.7229 9.6332 -0.00105461 -0.000417803 0.00433572 29
8532 76 C 21.6246 26.3112 8.35736 -0.00112415 0.00359556 0.00108496 29
8533 77 C 22.1175 25.5793 7.08575 -0.004184 0.000172109 -0.00176297 29
8534 78 C 21.7983 26.3176 5.74348 -0.00013131 0.00104212 0.00301311 29
8535 79 C 22.3228 25.5591 4.52289 -0.00181359 -0.00477368 -0.0021345 29
8536 80 C 22.2923 26.4314 3.2245 8.13965e-05 -0.00128606 -0.00356155 29
8537 81 C 23.0788 25.7885 2.04674 -0.0050745 0.000764174 0.00608437 29
8538 82 C 18.9931 32.4582 14.7419 0.00104459 -0.00316736 0.00210456 29
8539 83 C 19.4253 31.8728 13.3925 -0.00068314 0.00566133 -0.00351028 29
8540 84 C 19.026 32.763 12.2034 -0.00504619 0.000120935 -0.00249786 29
8541 85 C 18.7078 31.9365 10.9246 0.000292651 7.24822e-05 -0.0032022 29
8542 86 C 18.4675 32.9288 9.76599 0.00230574 0.00178557 0.00020122 29
8543 87 C 18.3038 32.2945 8.32025 -0.00241152 -0.00121789 -7.81804e-06 29
8544 88 C 18.3938 33.3776 7.24634 0.00120139 -0.00130828 -0.000886349 29
8545 89 C 18.7125 32.9895 5.78629 -0.00205453 2.59788e-05 -0.00181022 29
8546 90 C 17.6468 32.2689 4.9509 -0.000581594 0.00131329 -0.00244156 29
8547 91 C 18.129 32.262 3.49214 7.78545e-06 0.00431335 -0.000426712 29
8548 92 C 17.2155 31.4778 2.495 0.000883841 0.00475874 0.0038292 29
8549 93 C 16.0091 32.2317 2.02033 0.000251081 0.00302914 -0.00417161 29
8550 94 C 11.3142 30.3301 33.6481 0.0014963 0.00138283 -0.00273773 29
8551 95 C 11.2611 30.3006 35.198 0.00357338 0.00315232 -0.00212294 29
8552 96 C 9.89893 30.8647 35.7232 0.00171893 0.00425043 0.00234859 29
8553 97 C 9.93092 31.4143 37.1776 0.000220988 -0.000712308 -0.00268611 29
8554 98 C 10.1112 30.5009 38.3797 -0.000947905 0.000200556 -0.00120958 29
8555 99 C 10.2761 31.3025 39.704 0.00380354 -0.00331853 -0.000165335 29
8556 100 C 10.3281 30.4538 40.9479 -0.00221536 0.00340325 0.000181318 29
8557 101 C 10.446 31.3732 42.207 0.00311022 -0.00353634 -0.00245482 29
8558 102 C 10.5084 30.5834 43.5285 0.00247728 0.00313109 0.000214294 29
8559 103 C 10.2965 31.4823 44.7633 -0.00152412 0.00325028 -0.00456227 29
8560 104 C 10.4723 30.6784 46.0429 -0.00249222 0.000733619 0.00155172 29
8561 105 C 10.1386 31.5661 47.2993 0.000473672 0.000297542 0.00147049 29
8562 106 C 17.2058 34.149 34.0439 0.00134627 0.00183016 0.000888321 29
8563 107 C 17.2343 34.1403 35.5592 0.00280687 0.00112633 -2.82045e-05 29
8564 108 C 18.0555 35.2351 36.2255 -0.000884432 -0.00108665 0.00205134 29
8565 109 C 17.539 35.5051 37.6428 -0.00153418 0.00060893 0.00213736 29
8566 110 C 18.6487 36.0177 38.516 -0.00135418 0.00206616 -0.0029119 29
8567 111 C 18.156 36.3454 39.9345 -5.96008e-05 0.0012713 -0.000851919 29
8568 112 C 18.194 35.1291 40.8446 0.00209717 0.000873057 0.00256861 29
8569 113 C 17.949 35.5836 42.2855 -0.00136904 -0.00421392 -0.00547091 29
8570 114 C 18.07 34.4348 43.2507 0.000976341 -0.00107077 -0.00251974 29
8571 115 C 18.236 34.9383 44.7361 -0.00212458 0.000194876 8.60524e-05 29
8572 116 C 18.5158 33.7729 45.6594 -0.0013927 -0.00213885 -0.0027872 29
8573 117 C 18.6909 34.1668 47.1377 -0.00158353 -0.000214186 0.00190839 29
8574 118 C 17.0109 26.6499 34.2014 -0.000299935 -0.000180268 0.000509426 29
8575 119 C 17.0969 26.8017 35.7196 0.00389969 -0.00441178 -0.000145997 29
8576 120 C 17.8528 25.6097 36.4328 -0.00453596 -0.0012114 -0.00131892 29
8577 121 C 17.7978 25.5425 37.9958 0.000349985 -0.0010116 0.00145325 29
8578 122 C 17.8159 26.923 38.7413 -0.00067997 0.00140388 0.000755628 29
8579 123 C 17.4591 26.8282 40.2177 -0.00280534 0.000770643 1.64032e-05 29
8580 124 C 18.4116 25.9453 41.0709 -0.00188967 -0.000769044 -4.27017e-05 29
8581 125 C 18.5744 26.3834 42.5728 0.00260698 0.00133008 -0.00273205 29
8582 126 C 17.5999 25.8621 43.633 0.0020634 0.00447663 0.000817399 29
8583 127 C 18.1359 26.1901 45.0433 -0.000404902 -0.000126717 0.00273239 29
8584 128 C 17.4009 25.4809 46.1898 -0.00367821 -0.000686018 0.0017403 29
8585 129 C 16.5431 26.4693 46.9266 0.00532537 0.000567789 -0.00429238 29
8586 130 F 15.9422 32.4685 24.8339 0.000533101 -0.00157958 0.0028584 29
8587 131 H 17.7395 34.7515 31.7411 -0.0237138 0.0069895 0.0116334 29
8588 132 H 17.8298 34.6146 29.3311 -0.0133686 0.00239216 0.00852375 29
8589 133 H 16.9327 32.7759 28.1095 0.0109635 0.0074762 -0.000267855 29
8590 134 H 10.7337 30.1724 31.219 0.000431834 0.0131742 0.0123638 29
8591 135 H 11.0244 30.1 28.8528 -0.0108515 0.0200271 0.00878199 29
8592 136 H 13.3017 30.0997 27.8408 0.000953352 0.00242192 0.0048623 29
8593 137 H 17.6555 26.1064 31.8836 0.0147979 0.00841286 0.00713743 29
8594 138 H 17.8522 26.167 29.4168 0.00647988 0.00502942 -0.00228761 29
8595 139 H 17.0132 28.1364 28.1248 -0.00154092 -0.0027978 -0.00345466 29
8596 140 H 20.142 29.2962 24.1951 -0.00224317 -0.000148521 -0.021632 29
8597 141 H 18.5366 28.9077 25.9636 -0.00625219 -0.00761032 -0.00762566 29
8598 142 H 18.6131 26.8988 19.7494 0.00717734 -0.00649166 -0.010253 29
8599 143 H 19.3228 26.5684 17.3695 -0.000258447 -0.011045 0.0168932 29
8600 144 H 19.3021 28.9497 20.9375 -0.000279424 -0.00595546 -0.00318776 29
8601 145 H 25.4254 30.8514 20.3273 0.00275032 -0.011188 -0.00111826 29
8602 146 H 25.7957 30.858 17.8058 0.00322321 -0.00769865 0.00159644 29
8603 147 H 23.2064 31.0241 21.2414 0.00580035 -0.00288021 -0.000755883 29
8604 148 H 18.2682 35.1272 19.1639 -0.00291279 0.00610953 -0.000860997 29
8605 149 H 18.5835 35.0137 16.6566 -8.18627e-05 0.0109482 0.00757022 29
8606 150 H 21.2156 30.9819 16.0871 -0.0101616 0.00204768 0.00424557 29
8607 151 H 19.1862 33.4947 20.6362 0.00615837 0.00539877 0.00165228 29
8608 152 H 15.5055 30.3929 33.0149 -0.00599433 0.0224431 -0.00375532 29
8609 153 H 24.2182 29.338 15.0048 -0.00359651 -0.000840489 0.0159587 29
8610 154 H 22.5505 29.5926 15.3907 -0.00376936 -0.003851 -0.00804327 29
8611 155 H 24.2016 31.0803 13.3218 -0.00855314 0.0166369 -0.0101292 29
8612 156 H 22.6581 31.7605 13.9582 0.00435533 -0.000110704 0.0155893 29
8613 157 H 21.4916 29.7868 12.8022 -0.00159321 -0.00669952 -0.0229347 29
8614 158 H 23.0179 29.0471 12.4448 0.00399472 0.00155082 -0.00146971 29
8615 159 H 23.6989 31.0514 11.039 0.00344368 -0.0115013 0.0110274 29
8616 160 H 22.2012 31.7895 11.3598 -0.00989762 -0.00245856 0.000276552 29
8617 161 H 21.0168 29.7949 10.2935 -0.00303832 -0.00305997 -0.00090856 29
8618 162 H 22.5659 29.1598 9.79038 -0.00786628 -0.00216849 -0.00476339 29
8619 163 H 22.9093 31.6002 8.77196 -0.00133539 0.00836013 0.015777 29
8620 164 H 21.1992 31.7926 9.137 0.00100551 -0.00934418 0.00236667 29
8621 165 H 21.0931 31.3553 6.9557 0.010274 0.00507876 0.00497535 29
8622 166 H 20.86 29.7184 7.57434 -0.00548477 0.00933733 0.00674162 29
8623 167 H 23.1235 29.0645 6.65233 0.00235081 -0.000324716 -0.00872685 29
8624 168 H 23.7429 30.68 6.95779 0.000562036 -0.00971631 0.00826607 29
8625 169 H 23.627 30.2273 4.58416 -0.00064284 -0.00279213 -0.00330191 29
8626 170 H 22.6613 31.6092 5.07178 0.0213967 0.00131207 0.00771653 29
8627 171 H 20.6186 30.3401 4.74729 0.0160789 0.00974662 0.0193098 29
8628 172 H 21.5242 28.8121 4.45278 0.0118291 -0.00146205 -0.0167865 29
8629 173 H 22.6622 29.8119 2.46354 -0.00170425 -0.000711717 -0.0116005 29
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8631 175 H 19.5808 30.0056 2.30588 -0.00211931 -0.0101156 0.000633269 29
8632 176 H 20.4795 28.5233 2.02541 -0.00271276 0.000347777 0.000857241 29
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8634 178 H 21.5936 26.5403 16.1223 0.00108861 0.00830006 0.00134283 29
8635 179 H 20.1194 26.4313 15.2149 0.00513537 -0.00966661 0.00560543 29
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8637 181 H 22.6738 27.7549 14.1393 -0.00397104 -0.00218354 -0.00103792 29
8638 182 H 22.6371 25.1936 14.2195 -0.013164 -0.0162102 -0.0027958 29
8639 183 H 21.017 25.2526 13.5926 0.0115198 -0.0125604 0.0134355 29
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8643 187 H 21.8292 27.3245 11.1062 0.000869296 -0.000462179 0.00298988 29
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8645 189 H 22.1729 24.632 9.55518 0.00403303 -0.000861791 0.00485409 29
8646 190 H 20.5316 26.2199 8.37535 -0.00200756 0.0146949 0.0037473 29
8647 191 H 21.8396 27.3812 8.24695 -0.000533924 0.00347059 0.00102572 29
8648 192 H 23.1977 25.3882 7.07274 -0.00232405 0.0108013 -0.00318017 29
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8650 194 H 20.725 26.5217 5.64512 -0.00138188 -0.00846088 -0.00294077 29
8651 195 H 22.3166 27.2827 5.80267 0.0280513 -0.0145673 0.0110665 29
8652 196 H 23.3441 25.2019 4.70385 -0.00195637 -0.00140835 0.00529231 29
8653 197 H 21.6747 24.682 4.40421 -0.0048203 -0.00182214 -0.00753206 29
8654 198 H 21.2481 26.6355 2.95733 -0.0013696 -8.19169e-06 0.00306965 29
8655 199 H 22.8131 27.3882 3.35355 0.0093024 -0.0068225 0.000318271 29
8656 200 H 23.2375 26.5179 1.24286 0.00446707 -0.00465746 0.00304124 29
8657 201 H 24.094 25.539 2.37906 -0.00805188 0.00221782 0.0162816 29
8658 202 H 22.5123 24.9551 1.61321 0.00921218 -0.00737296 0.00314782 29
8659 203 H 18.6278 31.6222 15.3512 0.00498603 0.00217805 0.011782 29
8660 204 H 18.1164 33.1025 14.6015 0.00992321 0.00890023 0.00223341 29
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8663 207 H 18.1555 33.3822 12.453 -0.00653826 -0.00175576 -0.00305114 29
8664 208 H 19.8674 33.4535 12.0664 0.00145268 -0.0075529 -0.00124591 29
8665 209 H 19.5628 31.2832 10.7112 0.00376914 0.000592022 0.00908682 29
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8667 211 H 17.6341 33.5946 10.0221 0.00356276 0.00273132 0.00183758 29
8668 212 H 19.376 33.5426 9.73019 -0.0010455 0.00714718 0.00733371 29
8669 213 H 19.0823 31.5558 8.09307 -0.00759583 -0.00377673 -0.00948391 29
8670 214 H 17.316 31.8235 8.24332 -0.0058953 0.00641589 -0.00219742 29
8671 215 H 17.5473 34.0734 7.2988 0.00157074 -0.00102279 0.00129799 29
8672 216 H 19.2614 34.0116 7.46692 0.00111289 -0.00552138 0.0114488 29
8673 217 H 18.861 33.9233 5.23 -0.00917094 0.00951002 0.0122504 29
8674 218 H 19.6442 32.4171 5.69766 -0.00593629 -0.00763786 0.00694403 29
8675 219 H 17.5267 31.2301 5.28241 0.0054654 0.00248159 0.00339666 29
8676 220 H 16.691 32.7946 5.06732 -0.00438658 -0.00678061 0.00287853 29
8677 221 H 18.2345 33.3163 3.20818 -0.00432707 0.00804494 0.0117221 29
8678 222 H 19.139 31.836 3.44934 0.00025771 0.00446981 0.00395138 29
8679 223 H 17.8023 31.2362 1.60021 -0.0122339 -0.0223695 0.0025188 29
8680 224 H 16.9401 30.5015 2.91252 0.000764732 0.00240184 -0.00175253 29
8681 225 H 15.2145 32.2532 2.77631 -0.0100579 0.00639427 -0.0150777 29
8682 226 H 16.2523 33.2773 1.79446 0.0081617 0.00316567 0.00495114 29
8683 227 H 15.5947 31.6898 1.16128 -0.00919007 0.00191427 0.00107293 29
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8685 229 H 10.8082 29.4302 33.2775 0.00360902 -0.00181353 0.0021329 29
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8687 231 H 12.1452 30.8465 35.5498 0.00450755 -0.00336481 0.00562282 29
8688 232 H 9.75258 31.7462 35.0869 -0.0148531 -0.00491657 -0.00649387 29
8689 233 H 9.04895 30.1977 35.5334 0.0100423 -0.00310958 -0.0090854 29
8690 234 H 10.7745 32.1149 37.2076 0.00821867 -0.00988224 -0.0124305 29
8691 235 H 8.96551 31.919 37.3066 -0.00402306 -0.0130901 0.0140386 29
8692 236 H 9.20646 29.8876 38.4727 -0.0032257 0.00234082 -0.00929051 29
8693 237 H 10.956 29.8365 38.1603 0.00396665 0.00719576 -0.00348124 29
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8695 239 H 9.42215 31.9907 39.7265 0.00197051 -0.00550865 -0.00256668 29
8696 240 H 9.44615 29.8015 40.9505 0.00158698 -0.00176741 -0.00312872 29
8697 241 H 11.2028 29.7967 40.8667 -0.000608066 0.00439898 0.00951991 29
8698 242 H 11.2633 32.096 42.0929 -0.00796721 0.00925896 -0.000899991 29
8699 243 H 9.52601 31.9706 42.2151 0.00748053 0.00300433 0.00920049 29
8700 244 H 9.71966 29.821 43.5387 0.0153667 -0.0102094 0.000474474 29
8701 245 H 11.4315 29.992 43.5685 -0.00519204 -0.00873997 0.00219503 29
8702 246 H 10.9717 32.3467 44.7498 0.0129319 -0.00816052 -0.0103955 29
8703 247 H 9.28878 31.9141 44.8025 -0.00372048 -0.000963902 -0.0151971 29
8704 248 H 9.77531 29.8313 46.0412 -0.00519949 0.00291194 0.0171238 29
8705 249 H 11.4913 30.2852 46.145 0.00212214 0.0115978 -0.00274375 29
8706 250 H 10.2856 31.0064 48.2313 0.00101275 -0.00865665 -0.00398816 29
8707 251 H 10.7975 32.4431 47.3111 0.00279601 -0.00145899 0.00219518 29
8708 252 H 9.1222 31.9681 47.2061 0.000722918 -0.000363998 -0.00422387 29
8709 253 H 18.2118 34.3506 33.6555 0.000145348 0.00538679 -0.00037275 29
8710 254 H 16.5584 34.9719 33.7167 -0.0024365 0.00405295 0.0139531 29
8711 255 H 16.2112 34.1915 35.9517 0.00133284 0.00192568 -0.00398857 29
8712 256 H 17.6438 33.1884 35.9194 0.0120295 0.00542567 0.000824937 29
8713 257 H 19.1268 35.0031 36.2675 0.000940276 0.00844385 0.00829581 29
8714 258 H 17.9422 36.1695 35.662 -0.00878301 0.00442466 0.0127477 29
8715 259 H 16.7941 36.3103 37.6325 -0.00426843 -0.00206877 -0.00787922 29
8716 260 H 17.0434 34.6204 38.0615 0.0057907 -0.0076756 -0.00670656 29
8717 261 H 19.4233 35.2457 38.6017 0.00289333 0.00556815 -0.00992558 29
8718 262 H 19.0698 36.915 38.046 0.00877302 0.00463812 0.0110863 29
8719 263 H 18.916 37.0341 40.3235 -0.0147675 0.0181295 -0.00200357 29
8720 264 H 17.1995 36.8811 39.9749 -0.00872939 -0.0154843 0.0157206 29
8721 265 H 17.4158 34.4377 40.4986 0.00698127 -0.00764492 0.00866053 29
8722 266 H 19.1855 34.6715 40.7393 0.000783658 -0.0027775 0.00615677 29
8723 267 H 18.6719 36.3518 42.5866 -0.0129573 0.00207417 0.00640355 29
8724 268 H 16.9821 36.0888 42.4009 0.00236163 -0.000850632 0.0111785 29
8725 269 H 17.1781 33.8024 43.1602 0.00308629 -0.00398038 -0.00298116 29
8726 270 H 18.9255 33.7872 43.0226 0.00804675 0.00827926 -0.0024814 29
8727 271 H 19.064 35.6525 44.8239 0.00211987 -0.00486285 0.00123032 29
8728 272 H 17.3206 35.4221 45.0986 0.000667254 -0.00513026 0.0142853 29
8729 273 H 17.7718 32.9694 45.5944 -0.004818 0.00104792 -0.00281721 29
8730 274 H 19.4639 33.3206 45.3433 -0.00352091 -0.00424274 -0.00614657 29
8731 275 H 18.6865 33.256 47.7492 0.00301766 -0.00202342 -0.000741151 29
8732 276 H 19.6474 34.6615 47.3471 -0.00572515 0.00155843 0.0167842 29
8733 277 H 17.8747 34.8427 47.421 -0.0012246 0.00223263 -0.00286706 29
8734 278 H 16.2938 25.8549 33.9622 0.00117447 0.000838397 -0.00730241 29
8735 279 H 17.988 26.2983 33.8478 -0.00108379 0.0081011 -0.00992807 29
8736 280 H 16.0886 26.8381 36.1502 0.00116159 0.0104044 -0.00783091 29
8737 281 H 17.5605 27.7575 35.9933 -0.0041374 -0.00225334 0.00598994 29
8738 282 H 18.8957 25.6315 36.0932 -0.00505938 -0.0159378 -0.00383737 29
8739 283 H 17.4892 24.6267 36.1089 0.0208934 -0.0134591 0.00718684 29
8740 284 H 18.7097 24.9931 38.2601 0.00307096 0.00368859 0.00184324 29
8741 285 H 16.9638 24.9156 38.3346 -0.0043199 0.0101599 0.0106141 29
8742 286 H 17.0861 27.6124 38.299 0.00286839 -0.00425309 -0.0139007 29
8743 287 H 18.8128 27.3615 38.6097 0.00446764 -0.00576237 0.0158493 29
8744 288 H 16.4135 26.5213 40.3442 -0.00390608 0.00246573 -0.00497134 29
8745 289 H 17.4402 27.84 40.641 -0.0100177 0.00783362 -0.0172013 29
8746 290 H 19.4043 25.9846 40.6057 -0.00164871 -0.00424854 0.000175244 29
8747 291 H 18.109 24.8997 40.9345 -0.00898462 0.0028676 -0.0123878 29
8748 292 H 18.656 27.4738 42.6603 -0.0030071 0.00280395 -0.0159232 29
8749 293 H 19.5526 25.9905 42.8764 -0.000187035 -0.00551245 -0.00257805 29
8750 294 H 17.4961 24.7716 43.574 0.00520166 0.00438836 -0.00298702 29
8751 295 H 16.6377 26.3849 43.5683 0.000647036 0.00172419 -0.000231044 29
8752 296 H 18.1691 27.2729 45.2159 -0.00372241 0.000498586 -0.000549555 29
8753 297 H 19.177 25.8443 45.0384 -0.00124739 -0.00274284 0.0115599 29
8754 298 H 18.153 25.0721 46.8759 0.00229881 -0.00693374 -0.00851911 29
8755 299 H 16.7901 24.6125 45.9139 -0.00193395 0.00163939 -0.00936171 29
8756 300 H 16.1283 25.9868 47.8201 0.0011935 -0.000675704 -0.00687656 29
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8758 302 H 17.0231 27.4108 47.2208 0.00239785 -0.000647641 0.00442112 29
8759 1 C 21.5169 40.5177 31.5043 -0.00246632 -0.000819754 0.00130584 30
8760 2 C 21.7769 40.3541 30.1499 -0.00335886 0.00383616 0.0012808 30
8761 3 C 21.1992 39.3067 29.4396 -0.00355171 0.00166555 0.00419582 30
8762 4 C 20.4362 38.3197 30.1183 -0.00174118 -0.00327049 -0.00129945 30
8763 5 C 20.2201 38.4029 31.5424 -1.35409e-05 -0.00691078 0.00315691 30
8764 6 C 20.7737 39.5377 32.2361 0.00190085 -0.00332716 -0.00182594 30
8765 7 C 15.69 37.417 30.8341 -0.000677443 -0.00133514 -0.00199526 30
8766 8 C 15.9039 37.5143 29.4686 -0.00169895 0.00234166 0.0038393 30
8767 9 C 17.1949 37.3854 28.937 -0.000274314 -0.000830428 -0.00227783 30
8768 10 C 18.2884 37.2491 29.8287 0.00224252 0.00237993 -0.000435639 30
8769 11 C 18.0768 37.2484 31.2416 0.00355622 -0.00139246 -0.00282266 30
8770 12 C 16.7692 37.3244 31.7448 0.00255687 0.00192156 0.0016343 30
8771 13 C 21.4005 33.7868 31.6061 0.000848752 0.000178865 0.00173116 30
8772 14 C 21.4286 33.7612 30.2136 0.00232225 0.00382712 -0.00236323 30
8773 15 C 20.8585 34.7981 29.4551 0.000394655 -0.000928556 0.000594114 30
8774 16 C 20.2653 35.8903 30.1182 0.0050747 0.000990143 5.25507e-05 30
8775 17 C 19.7506 37.1416 29.3971 -0.00122007 0.00217613 0.00400471 30
8776 18 O 20.7227 34.8675 33.6873 -0.00159525 -0.00238573 0.000280846 30
8777 19 O 16.4568 37.2369 33.1083 0.000654687 -0.0015432 0.00385879 30
8778 20 O 20.6903 39.7253 33.5996 -0.000175589 0.00354807 -0.00250564 30
8779 21 C 20.7663 34.8623 32.2865 0.000256856 -0.00252991 -0.000733617 30
8780 22 C 20.0429 37.1396 27.9567 -0.0046599 0.00464369 -0.00101533 30
8781 23 C 20.5483 37.1976 26.8721 -0.000485467 0.00143293 0.00102829 30
8782 24 C 21.343 37.3947 25.7299 -0.00590562 -0.000544118 0.000429048 30
8783 25 C 20.9581 38.2312 24.671 0.000318137 -0.00043641 0.000124207 30
8784 26 C 21.8222 38.453 23.5801 -0.00155596 0.00734155 -0.00329454 30
8785 27 C 23.0543 37.7538 23.4766 0.000223306 0.00574191 -0.002033 30
8786 28 C 23.4741 36.9298 24.5396 0.00091465 -0.000137412 -0.00270359 30
8787 29 C 22.6231 36.7645 25.6953 0.0024367 0.000362377 0.00287424 30
8788 30 C 23.794 37.8645 22.3023 0.00122328 -0.00193429 -0.000308391 30
8789 31 C 24.2853 37.866 21.187 0.000175248 -0.000599068 -0.00593566 30
8790 32 C 22.7392 34.5152 18.8697 0.00305503 -0.00153533 0.00414962 30
8791 33 C 22.9063 34.5198 17.456 -0.000413664 0.000488955 0.00129001 30
8792 34 C 23.5524 35.6206 16.8152 -0.00178005 0.000953316 -0.000511643 30
8793 35 C 24.0089 36.6904 17.5994 -0.00503992 -0.00391671 0.000826971 30
8794 36 C 23.8696 36.6772 19.0113 -0.000556154 -0.0011048 0.00271503 30
8795 37 C 23.2559 35.6012 19.6453 -0.00301587 -0.00424129 -0.0019554 30
8796 38 C 24.5888 37.8405 19.7217 -0.00494392 0.000186765 -0.00094708 30
8797 39 C 28.51 37.6103 19.4133 -0.00357344 -0.00485937 0.00333413 30
8798 40 C 28.5671 37.5442 18.0006 0.00140504 0.000852598 0.000146437 30
8799 41 C 27.4021 37.6578 17.2319 0.00397504 -0.00305466 0.00109196 30
8800 42 C 26.1753 37.7367 17.8489 0.00521099 -0.00524273 0.00326088 30
8801 43 C 26.0702 37.7339 19.2484 0.00241978 0.0052206 0.00345152 30
8802 44 C 27.224 37.6413 20.0427 0.00308122 -0.00471871 -0.00120226 30
8803 45 C 22.9585 41.2512 18.8552 -0.00114263 0.00158437 0.000573983 30
8804 46 C 23.1442 41.1997 17.4546 -0.00118044 -0.00195774 -0.000992075 30
8805 47 C 23.7891 40.1274 16.8327 -0.00342371 6.53871e-05 -0.000886203 30
8806 48 C 24.2239 39.0862 17.6194 0.00451288 0.000793178 -0.00036754 30
8807 49 C 24.885 37.8459 17.0654 -0.00117023 -0.00101999 -0.00105635 30
8808 50 C 24.0952 39.1229 19.0276 -0.00271843 -0.00212746 -0.0033488 30
8809 51 C 23.4568 40.2158 19.6327 -0.00112201 -0.0049565 0.00154131 30
8810 52 O 27.5198 37.6793 15.8452 0.00206181 0.00397004 0.0054657 30
8811 53 O 23.8468 35.6237 15.4804 -0.000662665 -0.000677945 0.00394166 30
8812 54 O 23.9014 40.016 15.442 0.0028458 -0.00115896 0.0029217 30
8813 55 C 19.387 37.1804 32.0525 0.00477644 -0.00353919 0.000272358 30
8814 56 C 20.1375 35.8937 31.5359 0.000344571 -0.00029186 0.00168383 30
8815 57 C 28.1603 36.5962 15.1364 0.0022311 0.000493957 -0.00156349 30
8816 58 C 27.2187 36.0677 14.0254 -0.00126349 0.000599014 0.000422495 30
8817 59 C 27.1346 37.1199 12.8859 -0.00287346 0.00239116 -0.00117943 30
8818 60 C 26.3503 36.7073 11.6439 0.00275204 0.00201561 -0.00192798 30
8819 61 C 26.4788 37.7187 10.443 0.00396892 0.000980377 0.00116736 30
8820 62 C 26.1894 37.0341 9.06928 -0.00425207 0.00144352 0.00115331 30
8821 63 C 26.1882 38.0106 7.87382 0.000285478 -0.000277873 -0.000568752 30
8822 64 C 26.2392 37.1527 6.57038 0.00305788 -0.00103148 0.00251301 30
8823 65 C 25.9522 37.9469 5.31763 -0.00752142 -0.00354584 -0.00213046 30
8824 66 C 25.751 37.0089 4.12755 -0.00448738 -0.00176685 0.00491678 30
8825 67 C 25.4084 37.7362 2.80934 -0.00143485 -0.00280948 -0.00236947 30
8826 68 C 24.7687 36.8471 1.71341 -0.00189413 0.00016341 0.00423936 30
8827 69 F 21.3981 39.2555 22.5217 -0.000447132 -0.00337228 -0.000435613 30
8828 70 C 23.2511 34.6504 14.5995 0.00205918 -0.00230582 0.000457231 30
8829 71 C 23.5679 35.1802 13.1817 -0.00149065 -0.000785137 -0.0015181 30
8830 72 C 22.563 34.7262 12.1091 -0.000674391 -0.000519518 0.00306883 30
8831 73 C 23.0922 34.8956 10.6457 0.000498645 0.0013485 -0.000577732 30
8832 74 C 21.9574 34.5072 9.69309 -0.00449406 -0.00314814 0.00159935 30
8833 75 C 22.3596 34.2771 8.22131 -0.00290017 -0.00209931 -0.00140216 30
8834 76 C 22.6264 35.6297 7.49239 -0.00192317 0.00350557 -0.000536893 30
8835 77 C 22.9401 35.439 5.99111 -0.00340717 -0.00415172 0.000773212 30
8836 78 C 21.7998 34.7801 5.18586 0.00184214 -0.00436044 -0.00160907 30
8837 79 C 21.9048 35.1307 3.70982 -0.00127533 0.001217 0.000848254 30
8838 80 C 20.8863 34.4224 2.80635 0.00103609 -0.00205414 0.00249577 30
8839 81 C 21.1019 34.9228 1.37653 0.00425709 0.00156213 0.000520663 30
8840 82 C 25.1145 40.3531 14.6801 -0.000477394 -0.000580724 -0.0060097 30
8841 83 C 24.772 40.3579 13.1774 -0.00248388 0.00139062 0.00267513 30
8842 84 C 25.8757 40.9499 12.2503 0.00109379 -0.00340968 0.000449114 30
8843 85 C 25.2664 41.3263 10.8865 0.00122328 -0.00188484 0.00370419 30
8844 86 C 26.3167 41.5451 9.73625 -0.00121717 0.000245065 0.00316976 30
8845 87 C 25.6191 42.3839 8.66981 0.00051566 -0.00374872 -0.00286054 30
8846 88 C 26.3725 42.5461 7.32161 0.000908289 -0.000751877 -0.000344725 30
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9062 2 C 25.7059 33.5707 29.7698 -0.000493014 0.00286623 0.000387746 31
9063 3 C 25.1088 32.529 29.0298 -0.000408595 0.000821233 0.00393459 31
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9065 5 C 24.0608 31.6654 31.1325 0.000607575 -0.00227851 0.00463632 31
9066 6 C 24.6352 32.7003 31.8333 0.00212949 -0.00259758 0.0027464 31
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9068 8 C 19.7166 30.4859 29.1465 0.00169362 -0.00396411 -0.000113115 31
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9073 13 C 25.342 27.299 31.5475 -0.00372332 -0.0042573 0.00524637 31
9074 14 C 25.6086 27.2491 30.1727 -0.00494137 0.00193638 0.00259788 31
9075 15 C 24.9722 28.1715 29.3289 -0.00465233 0.00255207 -0.00155745 31
9076 16 C 24.2015 29.2119 29.872 0.00469726 0.00393199 -0.00391771 31
9077 17 C 23.58 30.3625 29.0909 0.00421768 0.00181021 0.000742261 31
9078 18 O 24.2679 28.3166 33.4956 0.00205737 0.00134929 -0.00258464 31
9079 19 O 20.3626 30.5246 32.8623 -0.00215602 -3.70589e-05 3.79117e-06 31
9080 20 O 24.3439 32.8784 33.168 0.000768489 -0.00205841 -0.00073766 31
9081 21 C 24.492 28.2806 32.1298 0.00139365 0.000521742 -0.000788456 31
9082 22 C 23.8563 30.3059 27.6601 0.0032761 -0.00129807 -5.01508e-05 31
9083 23 C 24.2788 30.4464 26.5364 -0.00066571 -0.00192336 0.00310692 31
9084 24 C 25.0301 30.6687 25.3423 0.000961173 -0.000745243 -0.00200877 31
9085 25 C 25.2242 31.9664 24.8292 -0.00213744 0.00313309 -0.00276899 31
9086 26 C 26.1475 32.096 23.7789 -0.000964937 9.75311e-05 -0.00241612 31
9087 27 C 26.8313 30.9844 23.2775 0.00512462 -0.000766516 0.00223569 31
9088 28 C 26.6143 29.7265 23.8156 0.00186533 -0.00472609 -0.000902814 31
9089 29 C 25.7169 29.5421 24.844 0.001352 -0.000288602 0.00072164 31
9090 30 C 27.6426 31.0903 22.0874 0.000124963 -0.00365961 -0.00433829 31
9091 31 C 28.113 31.0975 20.9552 -0.000454342 -0.000500925 -0.00209642 31
9092 32 C 27.2189 27.3706 18.9996 0.000481715 -0.00359022 0.000867087 31
9093 33 C 27.7198 27.1988 17.7021 -0.00221619 0.00199472 -0.00278222 31
9094 34 C 28.1253 28.2823 16.9306 0.00115348 -0.00204849 -0.000414701 31
9095 35 C 28.221 29.5462 17.5535 -0.00223296 0.000169732 -0.00100176 31
9096 36 C 27.8754 29.6978 18.9106 -0.000360894 -0.00541714 0.00011831 31
9097 37 C 27.3316 28.6084 19.6189 -0.00228721 -3.50481e-05 -0.00348658 31
9098 38 C 28.4055 30.991 19.5374 0.00242097 0.00129883 0.00234432 31
9099 39 C 32.3058 31.0985 19.4093 -3.25082e-05 -0.00150515 0.00209217 31
9100 40 C 32.4627 31.1205 18.0245 0.00334928 0.00601184 0.00323443 31
9101 41 C 31.3619 31.1947 17.1581 0.00143015 0.00225702 -0.00105883 31
9102 42 C 30.1087 31.0276 17.716 0.000942405 0.00190535 0.00306799 31
9103 43 C 29.9221 31.0293 19.1346 -0.000893488 0.000422781 -0.00394598 31
9104 44 C 31.0182 31.0697 20.0008 -0.00324807 0.000434512 0.000864321 31
9105 45 C 26.3978 34.0797 18.306 6.44236e-07 0.00433801 -0.0008861 31
9106 46 C 26.5286 33.9525 16.923 0.00142919 0.000528487 0.0059711 31
9107 47 C 27.3388 32.9118 16.4504 -0.000342419 0.00442739 -6.77512e-05 31
9108 48 C 27.984 32.0269 17.3074 -0.00198773 0.00308913 0.00166818 31
9109 49 C 28.8246 30.8105 16.9313 -0.00269786 -0.00241327 3.21577e-05 31
9110 50 C 27.7433 32.1253 18.7228 0.000767554 -0.000506362 -0.00348875 31
9111 51 C 26.9523 33.2265 19.2002 0.00278058 -0.000779628 -0.000412228 31
9112 52 O 31.5147 31.5678 15.8204 0.00137205 0.000141421 0.00351972 31
9113 53 O 28.5795 28.114 15.6353 -0.00349293 0.00115621 0.000947787 31
9114 54 O 27.4586 32.7663 15.1018 -0.00148362 -0.00388197 -0.00190015 31
9115 55 C 23.2214 30.5109 31.7469 -0.000237476 0.00153241 -0.00294838 31
9116 56 C 24.002 29.2902 31.2991 -0.00381249 -0.00252993 0.00195354 31
9117 57 C 31.3032 30.7167 14.7211 0.00106757 0.00206088 -0.00465033 31
9118 58 C 30.764 31.6345 13.5813 0.00322546 0.00301752 0.00222905 31
9119 59 C 30.6164 31.1059 12.1349 0.000335143 0.000541006 -0.00255819 31
9120 60 C 29.9554 29.7501 11.918 -0.00121706 -0.000116551 0.00291968 31
9121 61 C 29.3883 29.5903 10.4807 0.000523709 -0.00147524 -0.00127717 31
9122 62 C 30.3563 30.0041 9.33413 0.00470441 -0.00131931 -0.00389696 31
9123 63 C 29.6717 29.8453 7.91945 -0.000695238 -0.000384876 -0.000624384 31
9124 64 C 30.4448 30.4089 6.7397 -0.00308158 -0.000200893 0.000556119 31
9125 65 C 29.6732 30.1468 5.44156 -0.000595946 0.00119426 -0.00165743 31
9126 66 C 30.4799 30.2939 4.15289 0.00340535 -0.00317251 -0.00226992 31
9127 67 C 29.628 30.1147 2.87571 -0.0030176 0.00111849 -0.00249946 31
9128 68 C 30.4757 30.0088 1.59005 0.00453629 -0.00308632 0.000649682 31
9129 69 F 26.3275 33.2915 23.23 -0.000523926 -0.00333908 -0.00170684 31
9130 70 C 28.9253 26.8 15.2204 0.00260342 0.00113425 0.00369369 31
9131 71 C 29.4064 26.7971 13.7339 0.00511455 -0.0013595 0.00416087 31
9132 72 C 30.1402 25.4898 13.4049 -0.00375038 -0.00051445 -0.00210601 31
9133 73 C 30.1538 24.981 11.95 0.0019672 0.00177483 -0.00562961 31
9134 74 C 30.0955 26.0618 10.8489 -0.000834864 -0.00181332 0.00384581 31
9135 75 C 30.2739 25.4 9.4695 0.0010599 -0.00294096 -0.00164099 31
9136 76 C 30.0637 26.2978 8.23518 0.00393879 -0.00243557 0.00117727 31
9137 77 C 30.2817 25.4967 6.95648 0.00259626 3.79988e-06 0.00185927 31
9138 78 C 30.0597 26.3606 5.67761 0.00375466 -0.00327919 0.00086784 31
9139 79 C 30.5499 25.5809 4.41151 0.001184 0.0015553 0.0046937 31
9140 80 C 30.4412 26.4166 3.11819 0.00142108 -0.00133609 0.000424475 31
9141 81 C 30.9947 25.6992 1.89644 -0.00822272 -0.000522194 0.000932052 31
9142 82 C 26.4986 31.9488 14.4426 -0.00111636 -0.00242018 0.00322207 31
9143 83 C 26.9297 31.6233 13.0125 -0.00114773 -0.00148777 0.00386106 31
9144 84 C 26.533 32.701 11.959 0.000269296 -0.00348742 0.000824497 31
9145 85 C 26.8086 32.1895 10.5638 -0.00135007 -0.00048148 0.00135874 31
9146 86 C 26.192 32.9468 9.39887 0.0065245 0.000854129 0.0029304 31
9147 87 C 26.6759 32.5278 8.00874 -0.00316633 -0.00492273 0.00303464 31
9148 88 C 26.298 33.6364 7.01956 0.00114752 0.00117813 -0.000536487 31
9149 89 C 26.5786 33.2633 5.56147 -0.00161842 0.00400665 0.00152272 31
9150 90 C 25.6421 32.1552 5.02523 -0.000842803 -0.00106948 -0.00131172 31
9151 91 C 25.6827 31.9773 3.48356 -0.00125224 0.000487025 -0.00133624 31
9152 92 C 24.8174 33.086 2.75627 0.000275606 0.003132 0.00242712 31
9153 93 C 25.0321 32.9957 1.27018 -0.00352863 0.000103409 0.000708772 31
9154 94 C 18.9765 30.5387 33.3802 -0.000572357 0.00106873 0.0052004 31
9155 95 C 18.8694 30.6323 34.904 0.000441996 -0.00197208 -0.00118122 31
9156 96 C 17.4689 30.4833 35.5566 0.000796776 -0.00121973 0.00116259 31
9157 97 C 17.508 30.166 37.0911 0.00590725 -0.00192659 -0.000356655 31
9158 98 C 17.7279 31.2336 38.1835 0.00168532 -0.00117759 0.000109134 31
9159 99 C 17.6915 30.4898 39.5467 -0.0019389 -0.000764539 -0.000635338 31
9160 100 C 17.9027 31.3468 40.8711 -0.00181633 -0.00240535 -0.00383017 31
9161 101 C 17.9546 30.3695 42.0554 -0.000941487 -0.00144255 -0.00144538 31
9162 102 C 18.1609 30.9842 43.4473 0.00213048 0.000521035 -0.00365231 31
9163 103 C 18.3163 29.86 44.4996 -5.36205e-05 -0.00100786 -0.00300535 31
9164 104 C 18.579 30.2864 45.9631 0.00345625 0.00156532 -0.00554457 31
9165 105 C 17.3219 30.4693 46.7717 -0.00271921 -0.0017599 0.00203515 31
9166 106 C 24.3107 34.2107 33.6735 -0.00231144 0.000149186 -0.00135458 31
9167 107 C 25.4844 34.6311 34.5914 0.00416047 0.00350279 -0.000956205 31
9168 108 C 25.1431 34.2855 36.0527 -0.000386578 -0.000250383 -0.000609419 31
9169 109 C 25.8808 35.1727 37.0751 0.00381853 0.00134889 0.00124219 31
9170 110 C 25.5543 34.7771 38.5487 -0.000734036 0.000957119 -0.00243116 31
9171 111 C 26.2136 35.7471 39.5645 -0.00275296 -0.00180167 0.00119718 31
9172 112 C 25.7174 35.6061 41.0162 -0.00171537 0.00191904 -0.00220592 31
9173 113 C 26.2901 34.403 41.7937 0.00285057 0.00115542 -0.000190563 31
9174 114 C 25.7582 34.2892 43.215 0.00129384 0.00432739 0.000215473 31
9175 115 C 26.2605 35.4105 44.1592 -0.00255485 0.00106507 -0.00118568 31
9176 116 C 25.9177 35.0453 45.5985 0.00202653 -0.00191777 -0.00264067 31
9177 117 C 26.1127 36.2594 46.5326 -0.00199311 0.00264582 -0.000914203 31
9178 118 C 24.0014 27.0914 34.1976 -0.00173031 -0.0041635 0.000864997 31
9179 119 C 25.1735 26.7311 35.1224 -0.000806108 -0.00125589 0.00105713 31
9180 120 C 24.7367 26.6794 36.6182 -0.00111995 -0.0010418 0.00213256 31
9181 121 C 25.6412 25.975 37.6262 -0.000585104 -0.00520859 0.00547969 31
9182 122 C 25.034 26.0521 39.0178 0.001391 -0.00369228 0.000370508 31
9183 123 C 25.9379 25.495 40.2156 -0.000247973 0.00205253 -0.00184304 31
9184 124 C 25.2418 25.7879 41.5617 -0.00491134 0.00442401 -0.0011935 31
9185 125 C 26.123 25.4359 42.7323 0.00141257 0.000776467 -0.00141052 31
9186 126 C 25.4408 25.7793 44.048 0.00176753 0.00240661 0.000515247 31
9187 127 C 26.3392 25.4193 45.2587 -0.000510652 0.00745041 -0.00390552 31
9188 128 C 25.7938 25.6605 46.668 -0.00291497 0.00412428 0.00278488 31
9189 129 C 25.9351 27.119 47.0715 -0.00224142 0.0024109 -0.00425921 31
9190 130 F 24.5756 33.0437 25.2865 0.00305969 -0.00273806 -0.000928317 31
9191 131 H 25.978 34.385 31.7151 -0.00194353 0.000594504 -0.00808638 31
9192 132 H 26.3013 34.3667 29.3325 -0.0157064 0.00931232 -0.00857587 31
9193 133 H 25.2828 32.443 27.9613 0.000948943 0.00581506 0.00376229 31
9194 134 H 18.4882 30.35 30.9065 0.000732191 0.0111822 0.00160127 31
9195 135 H 18.853 30.5066 28.4883 -0.00601419 0.00301485 0.0101908 31
9196 136 H 21.1746 30.5404 27.5751 -0.0244203 -0.00478976 -0.00344105 31
9197 137 H 25.7806 26.535 32.1826 -0.0037539 -0.00571212 0.00351845 31
9198 138 H 26.2858 26.5395 29.7067 -0.0054047 0.010193 -0.0107109 31
9199 139 H 25.1581 28.1078 28.2609 0.00517006 0.00294083 0.000127182 31
9200 140 H 27.0963 28.8298 23.4376 -0.00717393 -0.00656303 -0.00807596 31
9201 141 H 25.5631 28.5337 25.2168 -0.00423797 0.00124322 0.00253964 31
9202 142 H 26.9146 26.4889 19.556 0.00284855 -0.0105406 -0.00882081 31
9203 143 H 27.6788 26.1972 17.2843 -0.00685953 0.00141138 -0.000945087 31
9204 144 H 26.9934 28.7229 20.6445 0.00107655 -0.00110769 -0.00226224 31
9205 145 H 33.1633 31.0467 20.0736 0.00175181 -0.00886312 -0.000783414 31
9206 146 H 33.4645 31.1809 17.6096 0.00477535 -0.0110699 0.0042109 31
9207 147 H 30.852 31.0402 21.0736 0.00184599 -0.00395035 0.00152591 31
9208 148 H 25.7061 34.8301 18.6774 -0.00207955 0.00715932 -0.0104255 31
9209 149 H 25.9987 34.605 16.2353 0.00499038 0.00785123 0.0101832 31
9210 150 H 28.9299 30.7372 15.8419 0.00205045 -0.0139411 0.00127339 31
9211 151 H 26.7479 33.3469 20.2599 0.00438176 -0.0125615 0.00125037 31
9212 152 H 23.1264 30.5862 32.8372 8.23897e-05 0.00637229 -0.00325313 31
9213 153 H 32.2819 30.2897 14.4698 -0.00209792 -0.00496565 -0.00505235 31
9214 154 H 30.5992 29.9057 14.945 -0.00772882 0.0123802 0.00504268 31
9215 155 H 31.45 32.4864 13.497 0.00972699 -0.00395851 -0.0155477 31
9216 156 H 29.8102 32.0645 13.9113 0.00113027 0.00386126 -0.00492488 31
9217 157 H 31.5881 31.0445 11.6295 -0.00016087 0.00854272 -0.00448572 31
9218 158 H 30.0657 31.8621 11.5619 -0.00347716 0.00428118 0.00605512 31
9219 159 H 29.1822 29.6559 12.6904 0.00396194 -0.0119092 0.0066643 31
9220 160 H 30.6582 28.9457 12.1679 0.00499337 0.00780394 0.0109706 31
9221 161 H 28.4186 30.0971 10.4021 -0.000871143 -0.00382918 0.000703174 31
9222 162 H 29.122 28.5369 10.3292 -0.0130556 0.00229244 -0.00362549 31
9223 163 H 31.3034 29.4573 9.41951 0.00574613 0.00157007 0.00315701 31
9224 164 H 30.6273 31.0662 9.37758 -0.0170182 0.00352644 0.0121225 31
9225 165 H 28.671 30.2947 7.93068 0.00352451 0.00899574 -0.001527 31
9226 166 H 29.4602 28.7941 7.68797 -0.0186647 0.00313429 -0.00024734 31
9227 167 H 31.431 29.9284 6.74994 0.00284268 0.0116152 -0.0182776 31
9228 168 H 30.5662 31.4926 6.85882 0.0075011 -0.00203113 0.0063686 31
9229 169 H 28.7928 30.8011 5.42883 -0.00130085 0.000281376 -4.43218e-05 31
9230 170 H 29.2185 29.1492 5.47913 -0.00345741 0.00203941 -0.014033 31
9231 171 H 31.3444 29.6187 4.14612 0.0109099 0.00638077 -0.00119504 31
9232 172 H 30.9812 31.2689 4.11442 0.0142181 -0.00872893 -0.00245872 31
9233 173 H 28.922 30.9491 2.7815 -0.00303383 0.000631266 -0.0067001 31
9234 174 H 29.0883 29.165 2.97613 -0.010773 0.00553422 -0.00254671 31
9235 175 H 31.0747 30.9122 1.4209 0.00331143 -0.00349225 -0.00588742 31
9236 176 H 29.8994 29.9056 0.662383 0.00608184 -0.00537325 -5.07545e-05 31
9237 177 H 31.2589 29.2551 1.7386 0.00321432 -0.00521938 -0.00332215 31
9238 178 H 29.7015 26.3515 15.8527 -0.00682449 -0.0139144 0.00463331 31
9239 179 H 28.0808 26.102 15.2757 0.00671661 -0.0036368 0.0064281 31
9240 180 H 28.5549 26.9238 13.054 -0.00201968 0.00727776 0.0147135 31
9241 181 H 30.1413 27.5911 13.5523 0.0051051 -0.00150671 0.00347515 31
9242 182 H 31.163 25.5598 13.7955 -0.00451376 -0.00130782 3.89048e-05 31
9243 183 H 29.6683 24.7011 14.0037 -0.000168978 -0.000189112 0.00114255 31
9244 184 H 31.0597 24.3645 11.8976 -0.000361002 -0.00171724 -0.00484597 31
9245 185 H 29.3213 24.2951 11.75 0.00445309 0.00353059 -0.0220847 31
9246 186 H 29.105 26.533 10.837 -0.0048459 -0.0101809 0.0064473 31
9247 187 H 30.885 26.8046 11.0171 -0.00347268 0.000837487 0.00449559 31
9248 188 H 31.2853 24.9915 9.35302 0.000915137 -0.00180438 -0.0069896 31
9249 189 H 29.6024 24.5423 9.34005 -0.0064432 0.00395476 -0.00847122 31
9250 190 H 29.0288 26.649 8.14052 0.00514391 0.00291682 0.00810194 31
9251 191 H 30.7477 27.1523 8.30952 0.00199906 -0.000635713 -0.00168313 31
9252 192 H 31.3074 25.1079 6.96498 -0.00191133 -0.0119467 0.000568803 31
9253 193 H 29.673 24.5863 6.89291 -0.00506842 0.00564668 -0.00545314 31
9254 194 H 29.0322 26.7236 5.55139 0.00669124 0.00541067 0.00184387 31
9255 195 H 30.6555 27.2713 5.81576 -0.00604978 0.00374883 -0.0032513 31
9256 196 H 31.579 25.2608 4.61604 1.25094e-05 -0.00210699 0.00486099 31
9257 197 H 29.9364 24.6758 4.32315 0.00119901 0.00242264 -0.00420293 31
9258 198 H 29.3922 26.6421 2.88977 0.00442933 0.0147089 0.00254624 31
9259 199 H 31.0213 27.3437 3.20423 0.00141731 -0.00223258 0.00998878 31
9260 200 H 31.9867 25.2934 2.13048 -0.00451484 -0.00220618 -0.0177794 31
9261 201 H 30.3435 24.8404 1.69175 0.00978895 -0.0160063 0.00846929 31
9262 202 H 31.0872 26.3727 1.03549 -0.00121023 0.00513483 0.00610118 31
9263 203 H 26.4522 31.0222 15.0279 0.00971665 -0.00808817 -0.00488188 31
9264 204 H 25.5252 32.4532 14.4042 0.00102553 0.0010899 -0.00531072 31
9265 205 H 28.0005 31.388 12.9729 -0.00228195 -0.00860643 0.0152707 31
9266 206 H 26.4086 30.6822 12.7978 -0.00111092 -0.00242286 0.00784177 31
9267 207 H 25.4922 33.0305 12.0665 -0.00228348 -0.00908432 -0.00688462 31
9268 208 H 27.1464 33.5883 12.1587 0.00402477 -0.00308494 -0.0125813 31
9269 209 H 27.9024 32.1723 10.4813 -0.00213736 -0.00974393 -0.00704211 31
9270 210 H 26.4707 31.1465 10.599 -0.00178732 -0.000472927 -0.00301453 31
9271 211 H 25.1112 32.7804 9.48627 0.00372156 0.0159275 -0.00326776 31
9272 212 H 26.3923 34.0154 9.54498 0.00980961 0.00189544 -0.00918137 31
9273 213 H 27.7629 32.3845 8.0446 -0.000975077 0.00845409 -0.0104117 31
9274 214 H 26.2504 31.5684 7.68951 -0.000680708 -0.00496661 -0.000166538 31
9275 215 H 25.2218 33.7875 7.16895 0.00148609 0.00242512 0.000632767 31
9276 216 H 26.8384 34.5465 7.30779 -0.00672178 0.00693285 -0.00397672 31
9277 217 H 26.457 34.1652 4.94889 0.00328328 0.00189854 -0.00255628 31
9278 218 H 27.6143 32.9293 5.42324 0.000669749 0.00369841 0.0194722 31
9279 219 H 25.9148 31.2089 5.50848 -0.0117382 -0.000741022 0.00550248 31
9280 220 H 24.6178 32.3554 5.36317 -0.00859777 -0.0115343 -0.0186039 31
9281 221 H 26.7257 31.9832 3.14375 0.00486097 -0.00608442 0.0173169 31
9282 222 H 25.2832 31.0184 3.13103 -0.00132952 -0.00242815 0.00675005 31
9283 223 H 23.7495 32.9364 2.95784 -0.00329246 0.00301285 -0.0165161 31
9284 224 H 25.1095 34.101 3.05238 0.00446551 0.00259329 0.00016002 31
9285 225 H 24.2652 33.5559 0.721165 -0.00191556 -0.0111707 -0.0130408 31
9286 226 H 25.9841 33.503 1.07051 0.000307892 -0.00528281 0.00533518 31
9287 227 H 25.0652 31.9435 0.961649 0.0060963 0.000451929 0.000537079 31
9288 228 H 18.5106 31.4398 32.9626 0.000725657 0.00158694 0.00486678 31
9289 229 H 18.4695 29.623 33.0519 -0.020089 0.012745 0.00283891 31
9290 230 H 19.522 29.88 35.364 -0.00939835 -0.00479401 0.00817312 31
9291 231 H 19.2595 31.6083 35.2182 0.000828043 -0.00350385 0.0030966 31
9292 232 H 16.8454 31.3748 35.4154 -0.00508973 -0.00431347 0.00754192 31
9293 233 H 16.919 29.6866 35.0406 -0.00502014 0.00612435 -0.00398563 31
9294 234 H 16.554 29.6806 37.3313 0.0138604 -0.00850487 0.018005 31
9295 235 H 18.2979 29.4128 37.2005 -0.00693569 -0.0150637 0.00179631 31
9296 236 H 18.7019 31.6884 37.9648 0.00416406 -0.00306358 0.00729284 31
9297 237 H 16.9903 32.0454 38.1611 0.000960785 -0.00169021 0.00554584 31
9298 238 H 16.7153 30.0022 39.659 0.0017417 -0.0042104 0.0166077 31
9299 239 H 18.4353 29.6836 39.556 -0.00492164 -0.003549 -0.00393675 31
9300 240 H 18.8437 31.9045 40.7893 0.00028224 -0.00455788 0.00579147 31
9301 241 H 17.0798 32.0681 40.9479 -0.000995428 -0.00300295 0.0102263 31
9302 242 H 17.0653 29.7306 41.9898 -0.00609027 0.00617217 -0.00588167 31
9303 243 H 18.8074 29.7003 41.8874 0.0056317 0.00622622 0.00135709 31
9304 244 H 19.0833 31.578 43.44 0.00270017 -0.00024311 0.00616772 31
9305 245 H 17.2988 31.6115 43.7053 0.00410638 -0.000693578 0.00590189 31
9306 246 H 17.4074 29.2459 44.4837 -0.00890574 0.0126749 -0.0255841 31
9307 247 H 19.1744 29.2416 44.2089 0.0109867 0.00999583 0.00609022 31
9308 248 H 19.1077 29.4606 46.4549 0.015538 0.0112918 -0.00218476 31
9309 249 H 19.2911 31.1169 46.0448 -0.00573346 0.0100938 -0.0125069 31
9310 250 H 16.6998 31.309 46.4382 -0.00253222 -0.00614664 -0.0093419 31
9311 251 H 16.6885 29.5737 46.7583 -0.00416467 -0.000797736 0.00598158 31
9312 252 H 17.677 30.6627 47.7914 -0.0057911 -0.0169148 0.00596916 31
9313 253 H 24.2398 34.9093 32.8307 0.00232491 -0.00609061 -0.00690583 31
9314 254 H 23.3504 34.362 34.1818 -0.00167486 0.00226833 -0.00078566 31
9315 255 H 26.3575 34.018 34.3362 -0.00408227 -0.0171242 0.0202527 31
9316 256 H 25.8243 35.6593 34.416 -0.00362789 0.00792077 0.0100369 31
9317 257 H 24.0646 34.3316 36.2477 0.00105165 -0.0171592 0.0113914 31
9318 258 H 25.4318 33.2405 36.2201 -0.00712361 -0.00116213 0.00531982 31
9319 259 H 26.962 35.2022 36.8919 0.00376034 -0.0055665 -0.000176085 31
9320 260 H 25.593 36.2136 36.8824 -0.00371369 -0.000165991 0.00439351 31
9321 261 H 24.4798 34.7431 38.7672 -0.00331107 0.00268272 -0.0149752 31
9322 262 H 25.9 33.7576 38.7595 0.00463165 0.00371532 0.00211583 31
9323 263 H 27.3067 35.6642 39.5245 -0.00256667 0.00824928 -0.0146184 31
9324 264 H 25.9455 36.7612 39.2434 0.0119116 0.00626493 0.0144648 31
9325 265 H 25.9566 36.5156 41.581 -0.00100084 -3.64137e-05 0.000647249 31
9326 266 H 24.6256 35.5016 40.9965 -0.000955841 -0.00597465 -0.00260358 31
9327 267 H 26.2236 33.4487 41.2568 -0.003087 -0.0112536 0.0226095 31
9328 268 H 27.3641 34.5998 41.8995 0.00389116 -0.00130408 -0.00618218 31
9329 269 H 24.6632 34.2825 43.1484 0.00171126 0.00579647 -0.00698479 31
9330 270 H 26.1777 33.3705 43.6434 -0.0169019 0.00348855 0.0161491 31
9331 271 H 27.3328 35.6145 44.05 -0.000262223 -0.0117405 -0.00246912 31
9332 272 H 25.7385 36.3459 43.9228 -0.000366236 0.00221487 -0.00146516 31
9333 273 H 24.8839 34.6964 45.7122 -0.0025529 0.0121885 -0.000953694 31
9334 274 H 26.5927 34.2337 45.8971 0.00272716 0.00358951 0.0107269 31
9335 275 H 25.77 36.0605 47.5556 -0.00140686 -0.00314361 -0.00184456 31
9336 276 H 27.1903 36.4512 46.6059 -0.00410662 0.0123503 0.00456353 31
9337 277 H 25.6038 37.1516 46.1474 0.000787581 0.00145632 -0.00734521 31
9338 278 H 23.0858 27.2116 34.7897 0.00778665 -0.00342108 0.0154218 31
9339 279 H 23.7754 26.2157 33.5767 0.00354577 0.00539899 -0.0144219 31
9340 280 H 25.9416 27.4976 34.9616 -0.00669012 0.00408082 -0.00164356 31
9341 281 H 25.6034 25.7573 34.8572 0.0105078 0.00336877 0.00242468 31
9342 282 H 23.775 26.1525 36.5872 0.00280199 -0.00786638 -0.00419148 31
9343 283 H 24.5483 27.6909 36.9988 -0.0101555 0.00306535 -0.0132812 31
9344 284 H 26.6356 26.4303 37.7113 -0.000818342 -0.000166722 -0.0192063 31
9345 285 H 25.7565 24.9158 37.3651 -0.00197943 -0.0053216 0.00532166 31
9346 286 H 24.0769 25.5204 39.0864 0.00834553 -0.0166079 -0.00265476 31
9347 287 H 24.8565 27.1205 39.1923 0.00620616 -0.0023661 -0.00282365 31
9348 288 H 26.8975 26.0265 40.2243 0.000888283 0.000201629 -0.0140857 31
9349 289 H 26.1456 24.4363 40.0167 -0.0112667 -0.00104228 0.00320553 31
9350 290 H 24.2811 25.2623 41.6258 0.00225964 -0.00885603 -0.00287074 31
9351 291 H 24.9765 26.8522 41.5443 0.0109903 0.00836503 -0.00181739 31
9352 292 H 27.0505 26.0111 42.6209 0.00351214 -0.00029147 0.0106764 31
9353 293 H 26.399 24.3762 42.6673 0.0171217 0.00534625 -0.00943353 31
9354 294 H 24.4886 25.237 44.1007 -0.00147629 0.00765974 -0.00404355 31
9355 295 H 25.2187 26.849 44.1466 -0.0044752 0.0022131 -0.0117477 31
9356 296 H 27.2836 25.9695 45.1644 -9.02475e-05 0.00822523 0.00481525 31
9357 297 H 26.5502 24.3477 45.156 -0.00132251 0.0067582 0.00171811 31
9358 298 H 26.2934 25.0563 47.4352 0.00190887 0.00250428 -0.00164972 31
9359 299 H 24.7401 25.3567 46.6951 -0.00205703 3.5135e-05 -0.00947405 31
9360 300 H 26.9552 27.4799 46.8913 -0.00175781 0.00154265 -0.0032486 31
9361 301 H 25.6779 27.2194 48.1332 -0.0194938 0.00386277 -0.00856819 31
9362 302 H 25.2602 27.7298 46.4594 -0.00604643 0.00232525 -0.000141847 31
9363 1 C 29.2964 40.7162 31.2844 -0.00185775 0.000227773 -0.00145885 32
9364 2 C 29.3543 40.6697 29.8956 0.00237964 -0.00468091 0.000824569 32
9365 3 C 28.7371 39.6676 29.2121 0.00103 -0.0039229 -0.00235676 32
9366 4 C 28.1339 38.589 29.9077 -0.00105596 0.00124838 -0.00119992 32
9367 5 C 27.9979 38.6085 31.3123 0.00211114 0.00139819 -0.00102512 32
9368 6 C 28.6166 39.7027 32.0025 -0.00229908 -9.62079e-05 0.0002684 32
9369 7 C 23.5536 36.974 30.7319 -0.00222593 0.00223091 -0.00109402 32
9370 8 C 23.7399 36.8968 29.323 -0.00291079 -0.00214774 -0.00205279 32
9371 9 C 25.018 37.1283 28.812 -0.00268547 0.00104138 -0.00179528 32
9372 10 C 26.1037 37.2533 29.6718 0.0027138 -0.000958931 -0.00351632 32
9373 11 C 25.9285 37.2473 31.0806 -0.00247724 0.00133115 -0.0021626 32
9374 12 C 24.6281 37.1514 31.6072 0.00036476 -5.18739e-06 -0.00107717 32
9375 13 C 29.3122 34.0566 31.3342 0.000711857 0.0058191 -0.00121683 32
9376 14 C 29.4227 34.1201 29.9517 1.93126e-05 -0.00011913 -0.000769653 32
9377 15 C 28.8495 35.1116 29.2281 0.00529269 0.00322019 -0.000508656 32
9378 16 C 28.1997 36.1744 29.9149 0.00310459 -0.00172837 8.42544e-06 32
9379 17 C 27.5571 37.3592 29.223 0.000596607 0.000925978 0.00516664 32
9380 18 O 28.4963 34.9945 33.4209 -0.000135893 -0.000185673 -0.0026483 32
9381 19 O 24.3982 37.2356 32.993 0.001519 -0.000604227 -0.00454496 32
9382 20 O 28.5701 39.8556 33.3913 -0.00214135 0.00185921 0.00298746 32
9383 21 C 28.6283 35.0628 32.0544 0.000293958 -0.00251268 -0.00849431 32
9384 22 C 27.774 37.3218 27.7667 0.00114259 5.00417e-05 -0.00230239 32
9385 23 C 28.2389 37.3369 26.66 0.00117818 -2.60063e-05 -0.0046608 32
9386 24 C 28.9737 37.3181 25.454 0.00379245 0.000509049 -7.71561e-05 32
9387 25 C 29.4154 38.4922 24.8925 0.00192392 -0.00152561 -0.00194792 32
9388 26 C 30.306 38.439 23.7924 0.00206701 0.00232422 -0.00374811 32
9389 27 C 30.7187 37.2159 23.2763 -0.00112852 0.00122144 -0.00477581 32
9390 28 C 30.2426 35.9996 23.839 -0.000496746 0.00368203 0.000528311 32
9391 29 C 29.4293 36.0764 24.988 -0.000217153 -0.000307337 -0.00104798 32
9392 30 C 31.4846 37.1978 22.0813 1.07056e-06 -0.00197744 0.0013558 32
9393 31 C 31.9891 37.3141 20.9701 -0.00022157 -0.00155889 -0.000920953 32
9394 32 C 30.4152 34.4047 18.2281 -0.00404324 0.00354993 0.000423692 32
9395 33 C 30.5911 34.6094 16.8385 0.000962717 -0.00209746 -0.0010407 32
9396 34 C 31.3909 35.6551 16.382 0.000587629 0.00118036 -0.00164816 32
9397 35 C 32.0219 36.4999 17.3243 0.000299752 0.00147439 0.00112292 32
9398 36 C 31.7976 36.3443 18.717 -0.00052181 -0.000296086 0.00143529 32
9399 37 C 31.0173 35.2401 19.154 0.000854034 -0.00135151 0.000781522 32
9400 38 C 32.3994 37.4664 19.568 -0.00299267 0.00313259 0.000239465 32
9401 39 C 36.2411 37.2806 19.6828 0.00244001 0.00677962 0.0021385 32
9402 40 C 36.5166 37.4024 18.2978 0.00274753 -0.000313237 -0.00515666 32
9403 41 C 35.4661 37.4912 17.3754 -0.000898415 -0.00760262 -0.0027732 32
9404 42 C 34.1511 37.5313 17.8375 0.00248329 0.00480109 -0.000877426 32
9405 43 C 33.8836 37.3933 19.2319 -0.000263941 0.00394997 -0.00309954 32
9406 44 C 34.9089 37.3192 20.1716 0.000667233 0.0010573 -0.00131689 32
9407 45 C 30.8716 41.0174 18.9554 -0.000992977 0.00144292 -0.00205965 32
9408 46 C 31.097 41.0936 17.565 0.00665225 0.00484314 -0.000289769 32
9409 47 C 31.6511 39.9754 16.8894 -0.00079385 -0.00202232 -0.00251697 32
9410 48 C 32.1097 38.868 17.581 0.00182239 0.00291687 -0.000694924 32
9411 49 C 32.9007 37.6767 16.9842 -0.00204118 0.000408076 -0.00282827 32
9412 50 C 31.9083 38.7779 18.9645 0.00514011 7.39639e-05 0.00132821 32
9413 51 C 31.2822 39.8579 19.6446 -0.00699455 0.000493572 0.00158296 32
9414 52 O 35.7316 37.484 16.0339 -0.00450689 0.00190594 -0.000340685 32
9415 53 O 31.4603 36.0775 15.0617 -0.00354362 0.00182608 -0.00346647 32
9416 54 O 31.6443 39.8647 15.5274 -0.000903802 -0.00259705 -0.000458128 32
9417 55 C 27.2441 37.3773 31.907 -5.82892e-05 0.00693178 -0.00594178 32
9418 56 C 28.0538 36.1405 31.3289 -0.000997657 0.00173375 0.00102474 32
9419 57 C 35.45 36.2691 15.2877 0.0025063 0.00101465 -0.00536518 32
9420 58 C 36.1129 36.2513 13.9013 0.00114217 0.00157147 0.00448015 32
9421 59 C 35.2116 36.7486 12.7672 -0.000517835 -0.00146196 -0.00266269 32
9422 60 C 35.7522 36.3333 11.3416 -7.99212e-05 -0.000508176 -0.00127189 32
9423 61 C 34.787 36.8135 10.2497 -0.00174815 -0.0011055 0.000762243 32
9424 62 C 35.1529 36.3022 8.83853 0.00328085 0.00426899 0.000771718 32
9425 63 C 34.1137 36.7883 7.79245 0.000864904 -0.000699593 0.00346814 32
9426 64 C 34.5842 36.6407 6.32715 -0.000138309 0.0034822 -0.000776335 32
9427 65 C 33.3575 36.6561 5.37072 0.00244795 0.00124788 0.00262001 32
9428 66 C 33.6188 37.1953 3.92885 -0.00202922 0.00164123 -2.37498e-05 32
9429 67 C 34.036 36.1133 2.85481 -0.000250846 -0.00181354 0.00223984 32
9430 68 C 33.932 36.7522 1.46326 -0.000664344 -6.48336e-05 0.00136235 32
9431 69 F 30.7353 39.5801 23.3028 0.00190548 0.000769025 -0.000330579 32
9432 70 C 31.1734 35.1725 13.9562 -0.00241533 0.000570489 -0.00315302 32
9433 71 C 31.1467 36.0431 12.6972 -0.00105857 -0.000254557 -0.00280508 32
9434 72 C 31.1365 35.2637 11.3665 0.00362083 0.00443399 0.00127107 32
9435 73 C 29.7322 34.871 10.8365 0.00333194 -0.00122017 -0.000873625 32
9436 74 C 29.7763 34.4296 9.33552 -0.00177519 0.00190376 -0.000250053 32
9437 75 C 30.0142 35.6591 8.36246 -0.00161748 0.00165481 -0.00309319 32
9438 76 C 30.4933 35.3078 6.95438 -0.00266692 0.000349001 0.00105981 32
9439 77 C 29.5997 34.3533 6.1877 -0.000628907 -0.000295783 -0.000540757 32
9440 78 C 30.262 33.7268 4.89852 -0.000199098 -0.0018573 -0.00331239 32
9441 79 C 30.5826 34.7712 3.83094 -0.000440548 -0.00230952 0.00187998 32
9442 80 C 29.4078 35.2091 2.9363 -0.00310537 0.00317586 -0.00556182 32
9443 81 C 28.9733 34.119 1.93882 0.000158014 0.00275415 0.00165497 32
9444 82 C 32.5137 40.6224 14.7147 -0.00234962 -0.00176834 -0.00262275 32
9445 83 C 33.1619 39.5648 13.8105 0.00165958 0.00153807 0.00236631 32
9446 84 C 33.3931 40.0376 12.3808 -0.000297041 -0.00293474 -0.0010918 32
9447 85 C 34.3712 41.2366 12.278 -0.000946037 0.00253415 -0.00288913 32
9448 86 C 34.3466 41.9453 10.9113 -0.00242244 0.000133869 -0.00446795 32
9449 87 C 34.5155 41.0179 9.74122 0.000600809 0.00362978 -0.00154221 32
9450 88 C 34.2005 41.766 8.42084 -0.00287991 -0.00267924 -0.000790037 32
9451 89 C 34.311 40.8249 7.20874 0.000941455 -0.00114787 -0.00048502 32
9452 90 C 34.0725 41.57 5.8616 0.00156594 0.00226494 0.000463724 32
9453 91 C 34.033 40.611 4.62933 0.00302809 0.00266887 -0.000671823 32
9454 92 C 33.9325 41.3487 3.27268 0.00194446 0.00108613 -0.00149843 32
9455 93 C 33.6532 40.4023 2.11222 -0.00190111 -0.000125907 -0.00222425 32
9456 94 C 23.0747 37.3016 33.5856 0.00227464 0.000321475 0.00421895 32
9457 95 C 23.1224 37.3538 35.1157 3.88024e-05 0.00300664 0.00242096 32
9458 96 C 21.8212 37.069 35.8976 -0.00247863 0.000151291 -0.00193097 32
9459 97 C 22.085 36.7533 37.3959 -0.00166677 -0.000167148 0.00489957 32
9460 98 C 22.0972 37.9702 38.338 0.00417746 0.000781222 0.00147568 32
9461 99 C 22.6986 37.7603 39.7035 0.000283574 0.00152605 -0.00219277 32
9462 100 C 21.7714 37.3483 40.8644 0.00403022 0.00184185 0.00209054 32
9463 101 C 22.5464 36.9462 42.1265 0.00263166 -0.00168919 0.00175382 32
9464 102 C 21.727 37.0593 43.4299 7.15473e-06 0.00251023 -0.000330336 32
9465 103 C 22.5984 36.7426 44.7093 0.0012337 -0.00202305 -0.00127041 32
9466 104 C 21.7944 36.885 46.0083 4.25436e-05 0.00383128 0.00174695 32
9467 105 C 22.5401 36.4475 47.2638 -0.00293573 -0.00153091 0.00193999 32
9468 106 C 29.001 41.153 33.9675 0.00710167 0.00404877 -0.00520727 32
9469 107 C 28.8004 41.2636 35.4933 -0.00293485 0.00139225 -0.000256003 32
9470 108 C 29.3422 42.6038 36.014 -0.000514579 -0.00198223 0.000230692 32
9471 109 C 28.9757 42.8005 37.4993 0.00589018 -0.00204034 -0.001035 32
9472 110 C 29.792 41.8766 38.4306 -0.00085259 0.00212205 -0.00155296 32
9473 111 C 29.3267 41.7664 39.8844 0.00298883 -0.00336734 -0.000561012 32
9474 112 C 29.3813 43.0888 40.7295 0.000382508 -0.00206444 0.000603194 32
9475 113 C 29.107 42.863 42.2284 -0.00119524 0.00535207 0.000188547 32
9476 114 C 30.2822 42.2279 42.9622 0.00176943 -0.00100161 -0.000595145 32
9477 115 C 30.3058 42.5344 44.49 -9.62547e-05 -0.0054576 -0.00305525 32
9478 116 C 29.1825 41.8293 45.2895 0.00219249 -0.00390952 0.00149382 32
9479 117 C 29.2113 42.1634 46.7957 -0.000122761 -0.00495532 -0.000145452 32
9480 118 C 29.0758 33.7946 34.0757 0.00251155 -0.00411902 -0.00218686 32
9481 119 C 28.8734 33.7236 35.5862 0.00178614 -0.00229261 0.00251339 32
9482 120 C 29.6455 32.5368 36.2088 0.0030535 0.00141894 -0.00306647 32
9483 121 C 29.3405 32.2484 37.7192 -0.000453639 0.00446803 0.00135062 32
9484 122 C 29.2062 33.48 38.5645 0.00360509 0.00174757 0.00322384 32
9485 123 C 29.0651 33.2599 40.0902 0.000104599 -0.00187917 0.00155878 32
9486 124 C 30.2904 32.5984 40.745 -0.00033515 0.00103532 -0.00157055 32
9487 125 C 30.3965 32.9575 42.2499 0.000663097 -0.0007185 0.000923463 32
9488 126 C 29.293 32.3881 43.1406 -0.00130772 -0.00305273 0.00023545 32
9489 127 C 29.1632 32.9251 44.5987 -0.00109449 -0.000723865 -0.00221709 32
9490 128 C 30.5133 33.1084 45.3179 0.000289383 0.000238488 -0.00227724 32
9491 129 C 30.2418 33.6848 46.701 -0.00147645 -0.0016743 0.00101701 32
9492 130 F 28.9421 39.6808 25.3618 -0.00130775 -0.000949461 0.000880719 32
9493 131 H 29.7975 41.5494 31.7682 -0.00203467 0.00436196 -0.00841074 32
9494 132 H 29.9011 41.4392 29.3587 0.0063345 -0.00386389 0.00600931 32
9495 133 H 28.7809 39.6232 28.1279 0.00370465 -0.00101553 -0.00235669 32
9496 134 H 22.5378 36.8061 31.0775 -0.00152247 -0.0222613 -0.0107556 32
9497 135 H 22.8847 36.7905 28.6622 0.00325028 0.00811623 -0.0116805 32
9498 136 H 25.1513 37.2317 27.7392 -0.00386095 0.00461022 -0.00160166 32
9499 137 H 29.7857 33.2147 31.8306 -0.0159905 -0.00101177 0.00312506 32
9500 138 H 30.0196 33.3576 29.4602 0.0011136 -0.000357787 0.00092003 32
9501 139 H 29.0375 35.1321 28.1587 -0.0113119 -0.0170732 -0.0037819 32
9502 140 H 30.5007 35.0466 23.3867 0.00891373 0.00630964 0.000365149 32
9503 141 H 29.1238 35.1336 25.4322 0.00355302 -0.00608519 -0.0106543 32
9504 142 H 29.7399 33.6568 18.6331 -0.00359069 -0.00553034 -0.0156599 32
9505 143 H 30.0086 33.991 16.1619 0.00493049 -0.0101065 0.00286398 32
9506 144 H 30.8802 35.0662 20.2172 0.0099243 0.00157469 0.0024452 32
9507 145 H 37.0807 37.3071 20.3712 0.00450027 0.00461362 -0.000290513 32
9508 146 H 37.5239 37.5103 17.9065 0.00475808 -0.00978309 -0.0025696 32
9509 147 H 34.7255 37.294 21.2417 -0.000209182 -0.0053326 -0.00161841 32
9510 148 H 30.3558 41.8091 19.4908 0.00214043 0.0100065 -0.0117086 32
9511 149 H 30.6896 41.9241 16.996 0.00732418 0.012887 0.0109772 32
9512 150 H 33.08 37.7697 15.906 0.00590602 -0.000832025 -0.00160266 32
9513 151 H 31.0461 39.771 20.7011 0.00201019 -0.00644925 0.00302248 32
9514 152 H 27.1341 37.3462 32.998 -0.0150595 0.00498886 -0.00751517 32
9515 153 H 35.9016 35.4388 15.8445 0.00307243 0.00109284 -0.00570744 32
9516 154 H 34.3718 36.0961 15.1831 0.00354789 -0.010838 0.00352356 32
9517 155 H 36.3019 35.2009 13.6474 0.00582884 0.00187653 0.00675697 32
9518 156 H 37.0543 36.8142 13.9211 -0.000768609 0.00489254 0.00116284 32
9519 157 H 35.1111 37.8406 12.7963 -0.00179452 -0.00145378 -0.00717424 32
9520 158 H 34.1794 36.4074 12.914 0.000267078 2.09608e-05 0.0063161 32
9521 159 H 35.7486 35.2371 11.2992 -0.00380759 6.54229e-05 -0.0158834 32
9522 160 H 36.7689 36.6814 11.1217 -0.00180852 0.00766012 0.00371497 32
9523 161 H 34.7528 37.9096 10.2227 0.0123659 -0.000891107 -0.00812229 32
9524 162 H 33.7678 36.4977 10.5047 -0.00242668 -0.0049243 -0.00668966 32
9525 163 H 35.1895 35.2064 8.80279 0.000384487 0.00411726 0.00249706 32
9526 164 H 36.1608 36.6477 8.57765 0.000608965 -0.00604554 -0.0232304 32
9527 165 H 33.9148 37.8613 7.90434 0.0044985 0.00143101 -0.010325 32
9528 166 H 33.1224 36.3421 7.93931 -0.0030174 0.00569938 -0.00314718 32
9529 167 H 35.1846 35.7326 6.1925 0.000876982 0.00345788 0.0038973 32
9530 168 H 35.2358 37.4824 6.06198 0.00153455 0.00173733 -0.00220924 32
9531 169 H 32.5655 37.3251 5.72917 0.00128032 0.00156535 -0.000525645 32
9532 170 H 32.9154 35.6538 5.31177 0.00362204 0.000838641 0.000753959 32
9533 171 H 34.3823 37.9822 3.96652 -0.0104724 0.0099103 -0.00204891 32
9534 172 H 32.6679 37.6288 3.59528 -0.00358771 -4.63517e-05 0.0022129 32
9535 173 H 33.3156 35.2862 2.83662 0.00273957 -0.00445256 0.00397246 32
9536 174 H 35.0181 35.6917 3.10198 0.00109106 -0.000673984 -0.00118548 32
9537 175 H 34.6708 37.5388 1.26611 0.00278245 -0.00267191 0.00392726 32
9538 176 H 32.9585 37.222 1.27564 0.0039227 0.00294524 -0.0150294 32
9539 177 H 34.0309 35.9322 0.741386 0.00606119 1.75996e-05 0.00219332 32
9540 178 H 31.9802 34.4292 13.9588 -0.00790467 -0.00538807 -0.0136019 32
9541 179 H 30.2006 34.6941 14.1241 0.0111276 -0.0286437 -0.00811745 32
9542 180 H 30.3179 36.7608 12.7349 -0.00836368 -0.00888359 0.000527191 32
9543 181 H 32.0374 36.6835 12.6994 -0.00871343 0.0105181 -0.0329234 32
9544 182 H 31.609 35.8127 10.5427 0.00397384 -0.00302691 -0.00353452 32
9545 183 H 31.7217 34.3428 11.48 0.00395193 0.00332747 -0.00939278 32
9546 184 H 29.3453 34.0491 11.4515 0.0238871 -0.00625154 0.00535569 32
9547 185 H 29.059 35.7298 10.9493 -0.00465768 -0.00678493 -0.00626152 32
9548 186 H 30.5572 33.6631 9.25772 -0.00592438 -0.00256598 0.00214339 32
9549 187 H 28.8068 33.9883 9.07352 0.00404505 -0.0185287 0.0127294 32
9550 188 H 29.0859 36.2372 8.27585 -0.00831397 -0.00776911 0.00568417 32
9551 189 H 30.7999 36.3083 8.76813 -0.00285421 -0.00147594 0.0043232 32
9552 190 H 30.7044 36.2592 6.45069 -0.0054392 -0.0076152 -0.015054 32
9553 191 H 31.4964 34.8729 7.04462 -0.00792754 -0.0116881 0.00128887 32
9554 192 H 29.3586 33.5234 6.86349 -0.00211624 -0.0044856 -0.00621773 32
9555 193 H 28.6567 34.831 5.89442 -0.00155269 -0.00204951 -0.000440339 32
9556 194 H 31.2097 33.2584 5.19132 -0.006303 -0.0150954 -0.00471965 32
9557 195 H 29.6714 32.8899 4.50593 -0.00692588 -0.00143777 0.00591361 32
9558 196 H 30.99 35.6836 4.28366 -0.00482834 -8.28419e-05 0.00134771 32
9559 197 H 31.3427 34.3796 3.14364 0.00073004 -3.58269e-05 0.00187863 32
9560 198 H 28.5977 35.5344 3.60073 -0.00210467 -0.0059473 0.000142616 32
9561 199 H 29.7482 36.0511 2.32094 0.0105311 0.00600674 0.00587515 32
9562 200 H 28.2857 34.5509 1.20118 0.00338815 0.00179923 -0.00191633 32
9563 201 H 29.8493 33.7327 1.40338 -0.00243989 -0.00141525 0.000421358 32
9564 202 H 28.4824 33.3127 2.49768 -0.000111851 -0.00215163 -0.00568055 32
9565 203 H 31.9746 41.3521 14.0979 -0.00518294 -0.00909846 -0.00881311 32
9566 204 H 33.2395 41.1399 15.3542 -0.00212104 0.00844057 -0.0111689 32
9567 205 H 34.0732 39.2519 14.3349 -0.00808963 -0.00441763 0.0158145 32
9568 206 H 32.5305 38.6692 13.7586 0.0096937 -0.00515213 0.0199211 32
9569 207 H 33.7278 39.1919 11.7675 0.0107441 0.00303529 -0.00329277 32
9570 208 H 32.4371 40.3384 11.9347 0.00136101 0.00507196 0.000756946 32
9571 209 H 34.2078 42.0294 13.0184 0.00663004 0.00359005 -0.00233195 32
9572 210 H 35.3967 40.8777 12.4296 -0.00659602 -0.0105395 0.00429099 32
9573 211 H 33.3903 42.481 10.8672 -0.0062966 -0.00729382 -0.0103957 32
9574 212 H 35.1365 42.7054 10.869 -0.00156316 0.000337612 0.0153093 32
9575 213 H 35.5673 40.7068 9.72344 -0.000552632 0.000138043 -0.00866298 32
9576 214 H 33.9293 40.0935 9.81413 0.00920565 -0.000359206 0.0171352 32
9577 215 H 33.2126 42.2398 8.47543 -0.00380585 -0.00517456 0.00412615 32
9578 216 H 34.9277 42.5815 8.32341 0.00890304 -0.0118761 0.0101198 32
9579 217 H 35.2848 40.3207 7.17686 0.00255327 0.00162085 0.00515992 32
9580 218 H 33.5521 40.0378 7.29747 0.00595856 -0.00776131 -0.0161444 32
9581 219 H 33.1605 42.1673 5.98355 -0.00296956 -0.00663816 0.0101887 32
9582 220 H 34.8365 42.3402 5.69832 0.00591122 -0.00225679 -0.000478911 32
9583 221 H 34.9356 39.9884 4.5925 0.00147148 0.000375685 -7.47796e-06 32
9584 222 H 33.1613 39.9502 4.7114 0.00433979 0.000840643 -0.00146751 32
9585 223 H 33.1655 42.132 3.31211 0.002858 0.00176415 0.00279773 32
9586 224 H 34.8792 41.8582 3.05457 0.0165297 -0.0284013 -0.00710305 32
9587 225 H 34.5262 39.774 1.89655 -0.000142069 0.00451096 -0.00859134 32
9588 226 H 32.8028 39.7513 2.3499 0.0105372 -0.010322 0.0143524 32
9589 227 H 33.3733 41.0033 1.23826 0.00852302 0.01 0.00140092 32
9590 228 H 22.6239 38.2459 33.2562 -0.000362426 -0.00307429 -0.00185073 32
9591 229 H 22.5762 36.381 33.2579 0.0106688 0.00140779 -0.0116809 32
9592 230 H 23.878 36.6478 35.482 -0.000685355 -0.00861097 -0.0184882 32
9593 231 H 23.3821 38.3796 35.4051 0.0010127 0.0032542 0.000666286 32
9594 232 H 21.137 37.9249 35.8456 -0.00460825 -0.00096495 0.00757842 32
9595 233 H 21.2152 36.2745 35.445 0.00413396 -0.00397362 -0.00352671 32
9596 234 H 21.2633 36.083 37.6767 -0.00260461 0.00103836 0.0050353 32
9597 235 H 23.0308 36.2194 37.5504 -0.00158479 -0.00128777 0.000472205 32
9598 236 H 22.6867 38.7898 37.9089 0.0048489 -0.00336965 -0.00548469 32
9599 237 H 21.0803 38.3706 38.433 0.00039201 -0.00958414 0.00456631 32
9600 238 H 23.521 37.0467 39.5698 0.00719286 0.00852698 0.0029852 32
9601 239 H 23.1523 38.7229 39.9699 0.0126641 -0.00684119 0.00698356 32
9602 240 H 21.0851 38.1626 41.1278 -0.0018989 -0.00283152 0.00112382 32
9603 241 H 21.1148 36.5157 40.5833 0.00639452 0.000160119 0.00156281 32
9604 242 H 22.8775 35.9069 42.0097 -0.00681655 -0.00509448 0.00537308 32
9605 243 H 23.4839 37.5072 42.2255 9.67468e-05 0.00370778 -0.00492367 32
9606 244 H 21.3086 38.0731 43.453 0.0130455 0.00737202 0.0202035 32
9607 245 H 20.8372 36.4238 43.3404 0.00285335 -0.00233935 0.0060105 32
9608 246 H 22.8776 35.6861 44.6135 -0.00117554 -0.00312402 0.00384848 32
9609 247 H 23.5214 37.3338 44.7535 -0.0015461 0.00185759 0.00479216 32
9610 248 H 21.587 37.951 46.1636 -0.00515392 0.00264801 0.00290227 32
9611 249 H 20.8319 36.3716 45.8921 -0.00208265 0.00894926 -0.00336439 32
9612 250 H 23.5011 36.9688 47.3536 0.00296514 -0.0126568 0.00377439 32
9613 251 H 21.8651 36.6183 48.1115 -0.0115283 0.0114744 -0.00748429 32
9614 252 H 22.8593 35.3981 47.2519 0.00573519 0.00110188 0.000590681 32
9615 253 H 30.0746 41.2615 33.7702 0.00603234 0.00634246 -0.00976459 32
9616 254 H 28.4776 42.0026 33.5117 -0.00919649 -0.010875 -0.0142503 32
9617 255 H 27.7314 41.2605 35.7395 -0.00275757 -0.0141407 0.00028863 32
9618 256 H 29.2247 40.392 36.0067 -0.0292297 -0.00175866 0.0161514 32
9619 257 H 30.4315 42.616 35.8847 -0.00178741 0.0124079 -0.00913169 32
9620 258 H 29.0399 43.4634 35.4032 0.0109747 0.0103491 0.011852 32
9621 259 H 29.2218 43.8398 37.7497 3.85973e-05 0.000691328 -0.00663969 32
9622 260 H 27.9034 42.6282 37.6537 0.00212902 0.00822134 -0.0157649 32
9623 261 H 29.7792 40.8576 38.0245 -0.00238545 0.000301325 0.00306816 32
9624 262 H 30.8309 42.2249 38.3769 -0.001476 0.00460675 0.00260754 32
9625 263 H 28.3088 41.3598 39.9287 0.004054 -0.00485597 0.0103766 32
9626 264 H 30.0007 41.0097 40.3045 -0.00169471 -0.0116857 -0.0080071 32
9627 265 H 30.3692 43.5479 40.5999 0.00748521 -0.0188035 -0.00459505 32
9628 266 H 28.6394 43.8053 40.3557 -0.00209765 -0.00425504 0.00132523 32
9629 267 H 28.9213 43.8441 42.6827 0.00990833 0.0150504 -0.0162607 32
9630 268 H 28.1764 42.322 42.4396 -0.000995016 0.00592041 0.00255024 32
9631 269 H 30.2358 41.1494 42.7669 0.0242351 0.000598476 -0.014838 32
9632 270 H 31.253 42.5326 42.552 0.00261491 -0.00117635 0.00126951 32
9633 271 H 31.3013 42.3214 44.8985 -0.00129446 0.0124524 0.00925556 32
9634 272 H 30.1345 43.6035 44.6664 -0.00707504 -0.0055641 -0.00919633 32
9635 273 H 28.2231 42.107 44.8356 0.00587004 -0.00751192 -0.00852404 32
9636 274 H 29.2778 40.7523 45.1037 0.00194192 -0.00342442 -0.00148025 32
9637 275 H 29.2827 43.2473 46.9489 -0.0217432 -0.00241584 -0.00801045 32
9638 276 H 28.2848 41.7821 47.2424 -9.9725e-06 0.00841513 0.0114524 32
9639 277 H 30.0616 41.6534 47.2651 -0.00644284 0.00062925 0.0173339 32
9640 278 H 28.6809 32.878 33.6205 0.00428668 -0.0116046 0.0113626 32
9641 279 H 30.1506 33.8629 33.8672 0.00239488 0.0107516 0.00199594 32
9642 280 H 27.8166 33.5615 35.8317 0.00229668 -0.00372093 0.0037743 32
9643 281 H 29.0957 34.6403 36.1461 -0.00207228 9.13444e-05 0.000141444 32
9644 282 H 30.7059 32.7748 36.06 0.00326167 -0.00290531 -0.00855817 32
9645 283 H 29.4981 31.6623 35.563 -0.00498101 0.00830214 -0.0105844 32
9646 284 H 30.164 31.6308 38.0984 -0.00678915 -0.00449436 0.000502428 32
9647 285 H 28.4165 31.666 37.8212 -0.00909055 0.0181385 0.00127124 32
9648 286 H 28.2722 33.9903 38.2989 0.00404728 0.00517921 0.00822633 32
9649 287 H 30.0705 34.1365 38.405 0.0140913 -0.0115871 0.00516265 32
9650 288 H 28.1956 32.637 40.3339 -0.00155509 -7.55538e-05 0.000230701 32
9651 289 H 28.9025 34.2521 40.529 0.00226307 0.000407587 -0.00281573 32
9652 290 H 31.155 33.0224 40.2195 0.00104143 -0.00193144 -0.00169336 32
9653 291 H 30.2895 31.5102 40.6064 -0.0209983 0.000173047 0.00533795 32
9654 292 H 30.3734 34.0511 42.3329 -0.003709 0.000880081 -0.021199 32
9655 293 H 31.3618 32.6334 42.6581 -0.00170841 0.00126737 0.00812813 32
9656 294 H 29.4869 31.3098 43.196 0.00756305 -0.00165984 -0.00358235 32
9657 295 H 28.3058 32.5414 42.6874 -0.00489309 -0.003442 0.00788912 32
9658 296 H 28.4801 32.3024 45.1894 0.0128287 -0.0141562 -0.00028907 32
9659 297 H 28.6625 33.895 44.4893 0.00675788 0.00338026 -0.00171121 32
9660 298 H 31.161 33.7762 44.7365 -0.00707434 0.00321389 -0.00706771 32
9661 299 H 31.0154 32.1348 45.3745 -0.00179189 -0.000597998 0.00174995 32
9662 300 H 29.8879 32.8668 47.3405 0.00640439 -0.0112495 -0.00682891 32
9663 301 H 29.5283 34.5173 46.6681 -0.00620358 -0.00599661 -0.00575629 32
9664 302 H 31.1832 34.0409 47.1374 -0.00382239 0.00405276 0.00139068 32
9665 1 C 33.0611 34.0676 31.1956 -0.00351553 0.00231617 0.00429465 33
9666 2 C 33.1617 33.989 29.7909 0.000208664 -0.00141167 0.00301192 33
9667 3 C 32.7049 32.844 29.0932 0.00177068 0.000981623 0.00163314 33
9668 4 C 32.0608 31.8528 29.8308 0.00161906 0.00249103 -0.00194575 33
9669 5 C 31.9451 31.9151 31.2549 -0.000526625 0.000168987 0.00260226 33
9670 6 C 32.4196 33.0609 31.9628 -0.0026081 0.00264541 -1.03124e-05 33
9671 7 C 27.4453 30.5417 30.7017 0.00150031 0.00266983 0.00167515 33
9672 8 C 27.6105 30.5247 29.2847 0.00200281 -0.00107738 -0.00343745 33
9673 9 C 28.8977 30.5505 28.7554 0.00277549 -0.00205949 0.0034663 33
9674 10 C 30.0105 30.604 29.6358 -0.00249172 -0.00271978 0.00280948 33
9675 11 C 29.8294 30.6612 31.054 -0.0018165 0.000469549 0.00203973 33
9676 12 C 28.514 30.6396 31.5972 0.00372205 0.00393384 0.00536798 33
9677 13 C 32.9872 27.191 31.3194 -0.00137868 -0.000781401 0.000454223 33
9678 14 C 33.232 27.2635 29.9412 -0.000575405 0.00196793 0.00104849 33
9679 15 C 32.7369 28.3273 29.2637 -0.0017375 0.000570529 0.00740025 33
9680 16 C 32.1238 29.4214 29.9143 0.0018983 0.00112576 -0.00350492 33
9681 17 C 31.46 30.6116 29.1688 0.00608638 0.00433764 0.00179371 33
9682 18 O 32.2724 28.1959 33.3786 0.00376327 0.000867879 -0.00316365 33
9683 19 O 28.2369 30.7045 32.9547 0.00246362 0.000383167 0.00319955 33
9684 20 O 32.2615 33.216 33.3073 -0.00318344 3.0504e-06 0.00255803 33
9685 21 C 32.3947 28.2715 32.0175 -0.000464946 0.000328186 -0.000255661 33
9686 22 C 31.676 30.5797 27.7439 -0.00166091 -0.00252554 -0.0051347 33
9687 23 C 32.1029 30.5461 26.6066 0.000730779 -0.00705433 0.00420738 33
9688 24 C 32.8988 30.5624 25.3889 0.000849722 0.00200361 0.00338385 33
9689 25 C 33.0473 31.7104 24.5999 0.00529625 -0.00300761 0.00289287 33
9690 26 C 33.99 31.8024 23.5841 -0.000916346 -0.00324348 -0.000696183 33
9691 27 C 34.7849 30.7009 23.31 0.00321489 -0.00116059 -0.00175063 33
9692 28 C 34.6926 29.5328 24.0886 8.73204e-05 -0.00279326 -0.00286916 33
9693 29 C 33.758 29.4822 25.1527 -0.00221483 2.66725e-06 3.23477e-05 33
9694 30 C 35.6058 30.7304 22.1798 -0.00111492 0.0027701 -0.000641331 33
9695 31 C 36.105 30.8073 21.0717 -0.00133743 -0.00118174 0.00183462 33
9696 32 C 34.8476 27.3194 18.873 -0.00204576 0.00115301 0.00312873 33
9697 33 C 35.1034 27.2587 17.487 -0.000490793 -0.00267587 0.00194116 33
9698 34 C 35.7356 28.3406 16.8517 -0.00419462 -0.000758154 0.0046939 33
9699 35 C 36.0751 29.5004 17.5806 0.000235204 0.00281468 0.000366906 33
9700 36 C 35.8271 29.5391 18.9685 0.0023685 -0.000485543 -0.00246861 33
9701 37 C 35.2166 28.4546 19.6107 0.000260245 -0.00106731 -0.000708581 33
9702 38 C 36.4204 30.7862 19.6469 0.00356258 0.00328551 0.00315772 33
9703 39 C 40.2286 30.5822 19.3562 0.000295218 -0.00118653 -0.00184525 33
9704 40 C 40.3814 30.7469 17.9762 -0.000937757 -0.00145598 0.000964492 33
9705 41 C 39.2468 30.9142 17.1841 0.00371053 -0.00168207 0.000540877 33
9706 42 C 37.9978 30.8796 17.7745 3.51426e-05 -0.00475231 0.000328054 33
9707 43 C 37.8667 30.8049 19.1766 -0.00498857 0.00262438 0.00162651 33
9708 44 C 38.9881 30.6343 19.9944 0.00142729 -0.00224078 -0.00327219 33
9709 45 C 34.3481 33.9658 18.6621 0.000348175 -0.00178285 0.000362775 33
9710 46 C 34.4603 33.8941 17.2591 -0.000862317 0.000888407 0.00228225 33
9711 47 C 35.2883 32.8786 16.6959 0.00155258 -0.000441229 0.00149683 33
9712 48 C 35.8918 31.9103 17.5043 0.000771256 -0.00116684 -0.00123563 33
9713 49 C 36.7165 30.7551 16.9923 0.00285152 0.000812301 -0.0012644 33
9714 50 C 35.7353 31.9595 18.9019 -0.00161115 0.000554854 0.00141592 33
9715 51 C 35.0137 33.0306 19.4899 -0.000116718 0.00113906 0.00140459 33
9716 52 O 39.3398 31.1586 15.8438 -0.00212172 0.00176334 0.00228679 33
9717 53 O 36.0881 28.2041 15.5407 -0.00232238 -0.000108567 0.000729273 33
9718 54 O 35.479 32.7946 15.3412 -0.00184437 0.000574025 -0.00171652 33
9719 55 C 31.1492 30.6994 31.8357 -0.00188238 0.00490338 -0.000877183 33
9720 56 C 31.9471 29.4013 31.3202 -0.00245183 -0.00051511 0.00156338 33
9721 57 C 39.6959 30.1011 14.9468 0.00271571 0.00349705 -2.47081e-05 33
9722 58 C 39.3616 30.5598 13.4958 0.000282881 -0.00339099 -0.00125701 33
9723 59 C 37.833 30.6806 13.2785 -0.00269594 -0.00446618 0.00277216 33
9724 60 C 37.2298 30.6772 11.8444 0.000337748 0.00133283 -0.00147052 33
9725 61 C 38.0613 30.1193 10.6671 -0.000390407 0.00396644 -0.00196904 33
9726 62 C 37.338 30.4413 9.35436 0.0024895 0.00384862 0.00253385 33
9727 63 C 38.2193 30.1414 8.16118 -0.00302417 0.000507238 -0.000357386 33
9728 64 C 37.5562 30.4918 6.80544 -0.00560006 -0.000425586 -0.000159279 33
9729 65 C 38.5407 30.2089 5.65786 0.00183388 -0.00228161 -0.0021596 33
9730 66 C 37.885 30.4182 4.26672 0.000285233 -0.00432137 0.000422072 33
9731 67 C 38.819 29.9826 3.09473 -0.000368448 -0.000524116 0.000681365 33
9732 68 C 38.243 30.362 1.72625 0.00298959 -0.0022764 -0.00209283 33
9733 69 F 34.0022 32.9313 22.8354 0.00186247 0.00115409 -0.000183676 33
9734 70 C 36.292 26.937 14.8926 0.00289493 -0.00104696 0.000935 33
9735 71 C 36.9372 27.1339 13.5015 0.00451073 -0.000241587 -0.000488287 33
9736 72 C 37.3818 25.7667 12.8698 -0.000935829 0.00490062 0.000758391 33
9737 73 C 37.8604 25.8733 11.3772 -0.00351368 0.00119891 0.00457115 33
9738 74 C 38.3511 24.5364 10.8281 -0.00206732 -0.00189914 -0.00119654 33
9739 75 C 39.1472 24.6729 9.51339 0.00403631 -0.00166166 -0.00222535 33
9740 76 C 38.3685 25.0282 8.20287 0.00489855 5.60515e-05 -0.000862222 33
9741 77 C 38.3858 26.493 7.78671 0.00193778 0.00300912 0.00226196 33
9742 78 C 37.6896 26.6951 6.40544 -0.000874024 -0.000249146 -5.99684e-05 33
9743 79 C 38.6185 26.309 5.1977 6.57273e-05 0.00267816 -0.00067403 33
9744 80 C 37.8187 26.1638 3.8642 -0.0021732 0.00333351 0.00281219 33
9745 81 C 38.6743 25.8147 2.65427 9.00724e-06 -0.000561936 0.00250206 33
9746 82 C 34.4335 32.4877 14.432 -0.00113054 0.00160997 -0.000866069 33
9747 83 C 34.7815 33.0595 13.0747 0.00240652 0.00269056 -0.00179146 33
9748 84 C 34.1159 32.4026 11.8704 -0.00203 0.00171286 -0.00093473 33
9749 85 C 34.3544 33.0242 10.4886 -0.00347039 0.00163 -0.00159983 33
9750 86 C 33.7439 32.1858 9.36895 0.00156196 0.0011508 0.00191886 33
9751 87 C 33.1123 33.002 8.19998 0.00121327 -0.000149499 -0.000388266 33
9752 88 C 33.9931 33.0382 6.95186 0.0024468 -0.000445832 -0.0012793 33
9753 89 C 33.9219 31.7561 6.07897 -0.00187509 -0.00306207 0.00111083 33
9754 90 C 34.6745 31.8655 4.77071 0.00392658 0.000698048 -0.00184077 33
9755 91 C 34.0675 32.8918 3.83562 -0.00407996 0.00284259 0.000144926 33
9756 92 C 33.5705 32.3584 2.49982 0.00256405 0.000426641 -1.20202e-05 33
9757 93 C 34.7176 32.2182 1.45604 -0.00338046 -0.00247933 0.00135052 33
9758 94 C 26.8962 30.4009 33.5236 -0.00656105 -0.00073704 -0.00223981 33
9759 95 C 26.8146 30.7734 35.0256 -0.00377394 0.000239038 0.00795158 33
9760 96 C 25.5395 30.3728 35.7929 0.00158192 0.000848614 0.0044699 33
9761 97 C 25.5294 30.9525 37.2358 0.00145317 -0.00410518 -0.00204614 33
9762 98 C 25.5612 29.9011 38.3491 -0.00264739 -0.00059695 -0.00227496 33
9763 99 C 26.095 30.5287 39.6634 -0.00204405 0.00194878 0.0030878 33
9764 100 C 25.7191 29.7331 40.9016 0.00318283 -0.00307853 -0.00050235 33
9765 101 C 26.253 30.38 42.2344 0.00435081 -0.000843114 -0.000180311 33
9766 102 C 25.9778 29.4258 43.4099 0.00427647 -0.00387065 -0.00213527 33
9767 103 C 26.7295 29.7986 44.7257 -0.00149421 -0.00371961 -0.00218017 33
9768 104 C 25.8981 30.7056 45.6601 0.00114688 -0.00437605 -0.00197057 33
9769 105 C 26.483 30.8342 47.0922 -0.000653952 0.00285975 0.00123344 33
9770 106 C 33.0572 34.2438 34.0068 -0.00351991 0.00173414 0.00339239 33
9771 107 C 32.7136 34.5546 35.5119 0.000349498 0.00100865 -0.00360657 33
9772 108 C 33.6604 35.6718 36.0301 -0.00114869 -0.00456488 -0.00153979 33
9773 109 C 33.4022 36.2165 37.4624 -0.00014667 -0.00315257 -0.00630904 33
9774 110 C 33.2989 35.1268 38.572 -0.0025694 -0.00161152 0.00208499 33
9775 111 C 33.5509 35.7945 39.985 0.000752311 -0.000374589 0.00559331 33
9776 112 C 33.2491 34.9474 41.2359 0.00148151 -0.000361637 0.00340199 33
9777 113 C 34.0163 35.4717 42.4596 -0.00153452 0.00205904 -0.00143835 33
9778 114 C 33.4525 35.0947 43.8746 0.00213425 0.00164192 -0.000344414 33
9779 115 C 34.3168 35.7968 45.0236 -0.000715027 -0.000259561 -0.00238124 33
9780 116 C 33.7346 35.7171 46.4459 0.00160842 -0.000378907 0.00120813 33
9781 117 C 33.9603 34.3389 47.1313 0.00122204 0.00357032 0.000199801 33
9782 118 C 32.591 26.9966 34.1411 0.00392203 -0.00122066 -0.00121598 33
9783 119 C 32.9282 27.3737 35.5827 0.000621977 -0.000523255 0.00217547 33
9784 120 C 32.9869 26.1606 36.5533 -0.00040086 0.00172492 0.00324427 33
9785 121 C 33.7508 26.5417 37.8253 -0.000806955 0.00133132 -0.000650048 33
9786 122 C 33.3234 25.6319 39.0134 -0.00385746 -0.00125016 0.00253071 33
9787 123 C 33.8785 26.1571 40.3436 -0.000546247 0.00148021 -0.00314951 33
9788 124 C 33.2523 25.3627 41.5318 -0.00230524 -0.00430835 -0.000264335 33
9789 125 C 33.8232 25.8681 42.8703 -0.000886777 -0.00246359 0.000926583 33
9790 126 C 33.2433 25.0481 44.041 0.000325961 0.000219922 0.00319966 33
9791 127 C 34.0049 25.3074 45.3409 0.00231897 -0.000111104 0.00370128 33
9792 128 C 33.5875 26.6019 46.0461 0.000993601 -0.00334381 0.00439238 33
9793 129 C 34.661 26.9948 47.069 0.00583469 -0.00093542 0.000623458 33
9794 130 F 32.2404 32.8002 24.8533 0.000851243 -0.00121908 0.000113695 33
9795 131 H 33.5135 34.9494 31.6396 -0.0157674 0.00822801 0.00501017 33
9796 132 H 33.6477 34.7994 29.2556 0.0225608 -0.0124402 0.00659625 33
9797 133 H 32.7701 32.8194 28.0094 -0.00642716 -0.0135205 0.00146614 33
9798 134 H 26.4259 30.3871 31.0428 0.00355855 -0.00146975 0.00594995 33
9799 135 H 26.754 30.4919 28.6178 -0.00851139 -0.0115386 0.0105966 33
9800 136 H 28.9935 30.464 27.6771 0.00826044 0.00822289 0.00314471 33
9801 137 H 33.3919 26.3038 31.7974 -0.00843191 -0.00364333 0.00108594 33
9802 138 H 33.7164 26.4452 29.4166 0.00465044 0.00361251 0.0033119 33
9803 139 H 32.8877 28.3676 28.189 -0.0121934 0.00966436 0.00625734 33
9804 140 H 35.3772 28.7096 23.9066 0.00143915 -0.00373963 0.00646634 33
9805 141 H 33.6994 28.5992 25.7821 0.00181236 -0.00176454 -0.00207209 33
9806 142 H 34.3983 26.4512 19.346 0.0061941 0.000182354 0.00915599 33
9807 143 H 34.7886 26.3492 16.9838 -0.00406016 -0.00297855 0.00469597 33
9808 144 H 35.0848 28.454 20.6887 0.00744332 0.0232576 0.000195692 33
9809 145 H 41.1263 30.4552 19.9541 -0.00289129 0.00223344 0.00365994 33
9810 146 H 41.3742 30.7587 17.5362 -0.00209679 -0.0119788 -0.00192174 33
9811 147 H 38.9387 30.535 21.0748 0.00797034 -0.00442703 -0.00316546 33
9812 148 H 33.7821 34.7523 19.1525 -0.00451657 -0.000959512 -0.00658979 33
9813 149 H 33.9766 34.638 16.6329 -0.00158831 0.010352 0.0140814 33
9814 150 H 36.8187 30.7 15.9015 -0.0143767 -0.0127889 -0.00220865 33
9815 151 H 34.9702 33.1401 20.5695 1.12086e-05 -0.0131246 0.00285619 33
9816 152 H 31.0186 30.6766 32.9247 0.000307816 0.00388395 -0.00063285 33
9817 153 H 40.7651 29.9038 15.0929 0.000990196 -0.010256 -0.00610032 33
9818 154 H 39.1313 29.1866 15.1666 0.00584083 0.000201047 -0.00573637 33
9819 155 H 39.7882 29.8365 12.7898 0.0082694 -0.00132241 0.00145557 33
9820 156 H 39.7759 31.559 13.3133 0.00331013 -0.0034741 0.0051808 33
9821 157 H 37.5329 31.6232 13.7527 -0.00817458 -0.00524737 0.000848462 33
9822 158 H 37.4109 29.8751 13.892 -0.00186196 -0.00618357 0.00109126 33
9823 159 H 36.9071 31.6958 11.5957 -5.55526e-05 0.00295724 0.00568929 33
9824 160 H 36.3099 30.0888 11.9488 -0.00342668 0.00920205 0.00991478 33
9825 161 H 38.1846 29.0326 10.7523 0.00225862 0.004466 0.000569284 33
9826 162 H 39.0753 30.5379 10.6734 -0.00229237 0.00835536 0.0130248 33
9827 163 H 36.9764 31.477 9.35077 0.00140643 0.00346658 0.00108285 33
9828 164 H 36.4175 29.8484 9.28659 0.0140963 -0.0132512 -0.00528359 33
9829 165 H 38.5992 29.1124 8.17789 -0.00382929 0.000482397 0.0161837 33
9830 166 H 39.16 30.6937 8.27713 0.000482021 -0.0061083 0.00283742 33
9831 167 H 37.3095 31.5593 6.7514 0.00256835 0.000947954 -0.0106399 33
9832 168 H 36.6181 29.9398 6.66868 -0.00899136 0.00649428 -0.00484583 33
9833 169 H 38.9581 29.1946 5.67882 0.00313834 -0.00193174 -0.0105738 33
9834 170 H 39.408 30.8711 5.77039 0.000677742 -0.001311 0.00103723 33
9835 171 H 37.5709 31.4665 4.19044 -0.00459091 -0.00542447 0.00513965 33
9836 172 H 36.9501 29.8619 4.12607 0.00228995 -0.00827508 0.00280348 33
9837 173 H 38.9648 28.8984 3.17635 0.00692403 0.000813602 0.00549937 33
9838 174 H 39.8094 30.4372 3.22031 -0.00107941 0.00532378 -0.0149946 33
9839 175 H 37.9972 31.4309 1.70261 0.00858492 -0.00100341 -0.00262574 33
9840 176 H 37.3153 29.7884 1.60922 -0.000160005 0.000389377 0.00966329 33
9841 177 H 38.9287 30.1206 0.904677 0.0105833 0.0122047 -9.53468e-06 33
9842 178 H 36.8486 26.2361 15.5269 -0.00820351 0.000765065 0.0127277 33
9843 179 H 35.2886 26.4952 14.8527 -0.00278708 0.0126723 -0.0079805 33
9844 180 H 36.1707 27.6023 12.8718 0.00448045 -0.0116421 -0.00893995 33
9845 181 H 37.7967 27.8056 13.6175 0.00391385 -0.00187723 0.0135162 33
9846 182 H 38.1486 25.2608 13.4694 0.00369332 0.0111607 0.000105128 33
9847 183 H 36.5213 25.092 12.9585 0.0027725 0.000282734 0.00161175 33
9848 184 H 37.0686 26.2693 10.7294 0.00553797 -0.00375358 -0.00952993 33
9849 185 H 38.6635 26.6082 11.2413 0.0051097 -0.00711446 0.0105507 33
9850 186 H 39.0264 24.0649 11.5527 0.0054476 0.000778484 -0.00643709 33
9851 187 H 37.4967 23.8875 10.5994 -0.00580232 0.00809942 -0.0157956 33
9852 188 H 39.9841 25.3779 9.5914 0.00259857 0.000279338 -0.00426923 33
9853 189 H 39.6094 23.6931 9.34108 0.00568905 -0.000469071 -0.00456482 33
9854 190 H 38.9061 24.4394 7.44938 0.00159867 0.0040991 -0.00634595 33
9855 191 H 37.3142 24.7536 8.33114 0.00270309 0.00617373 -0.0057603 33
9856 192 H 37.8321 27.0396 8.56 -0.00374591 0.00244776 -0.00140965 33
9857 193 H 39.3936 26.9233 7.73483 0.000579808 0.00568019 -0.00207099 33
9858 194 H 36.7315 26.1655 6.33536 0.000359756 7.84207e-06 -0.0192026 33
9859 195 H 37.4483 27.7644 6.36305 0.00347941 0.000903668 0.0039811 33
9860 196 H 39.4232 27.0502 5.11627 0.00915615 -0.0075667 -0.00404278 33
9861 197 H 39.0915 25.3528 5.45317 0.00559798 0.0042798 -0.00496501 33
9862 198 H 37.0545 25.3876 3.99401 0.00358542 -0.00254441 0.00154945 33
9863 199 H 37.3058 27.1086 3.64537 -0.00577597 0.00272123 0.00861438 33
9864 200 H 38.0277 25.3439 1.90354 0.00661956 0.000300333 -0.00371603 33
9865 201 H 39.1403 26.7234 2.25371 -0.00749775 0.00573209 0.00802901 33
9866 202 H 39.454 25.0972 2.93838 0.00934285 0.001684 -0.0174569 33
9867 203 H 34.3331 31.397 14.3706 -0.00736273 0.00203227 0.00182296 33
9868 204 H 33.4875 32.9298 14.7684 -0.00155532 -0.00439102 0.00582195 33
9869 205 H 34.4531 34.1048 13.0211 -0.000860815 0.0017765 0.000446034 33
9870 206 H 35.8751 33.0253 12.996 0.00184663 0.000476253 -0.00848839 33
9871 207 H 34.41 31.3459 11.8576 -0.00696697 0.000318699 0.00073797 33
9872 208 H 33.0365 32.4521 12.0594 0.000277647 -0.00605112 0.0143113 33
9873 209 H 33.9607 34.0481 10.4883 0.00419046 0.00458487 0.0122071 33
9874 210 H 35.4276 33.0502 10.2628 -0.00414877 0.0110117 -0.00369037 33
9875 211 H 34.5027 31.502 8.969 0.0109683 0.0061163 0.0112849 33
9876 212 H 32.9316 31.5791 9.78783 0.00579837 -0.00420615 0.00236656 33
9877 213 H 32.1077 32.6303 7.9636 0.00027171 0.00230477 -0.000260895 33
9878 214 H 32.9289 34.0377 8.51148 0.00541611 -0.00135139 0.00605693 33
9879 215 H 33.6752 33.8937 6.34313 -0.00556378 -0.00226506 0.000344127 33
9880 216 H 35.0288 33.2139 7.26804 -0.000564467 0.00502586 0.00555267 33
9881 217 H 34.3872 30.9596 6.67274 0.0101093 0.00171585 -0.00186289 33
9882 218 H 32.8925 31.4359 5.87611 -0.0047667 0.000659395 0.00992748 33
9883 219 H 35.7213 32.0946 5.0054 0.0076558 -0.0136106 -0.0044021 33
9884 220 H 34.7095 30.8795 4.29124 -0.00520648 0.000803068 -0.00271087 33
9885 221 H 33.2009 33.4138 4.26002 -0.00414554 0.0134182 -0.0129121 33
9886 222 H 34.8296 33.6703 3.70761 0.0104013 -0.0108483 0.00309779 33
9887 223 H 33.1183 31.3678 2.63219 -0.00164769 0.00105855 -0.00963272 33
9888 224 H 32.8009 33.0119 2.07073 0.00345091 0.00606331 0.00700288 33
9889 225 H 34.4249 31.6707 0.55162 0.00365128 -0.0114965 0.00449862 33
9890 226 H 35.1556 33.1911 1.20107 0.00215999 -0.00609253 -0.00291374 33
9891 227 H 35.4817 31.5559 1.88139 -0.0087645 -0.017698 -0.0125858 33
9892 228 H 26.1628 31.0005 32.9705 -0.00159704 0.00319223 -0.00457663 33
9893 229 H 26.6432 29.3559 33.306 -0.00897649 -0.00350519 0.0140423 33
9894 230 H 27.7241 30.3921 35.506 0.0052744 0.00310083 -0.00685255 33
9895 231 H 26.8647 31.8674 35.0886 0.016508 -0.000878228 0.0111636 33
9896 232 H 24.7387 30.8653 35.2276 -0.000118877 0.00886917 0.0138605 33
9897 233 H 25.3586 29.291 35.7772 0.00376114 0.000452119 0.00669821 33
9898 234 H 26.3946 31.612 37.3767 -0.00290246 -0.00155893 0.0127881 33
9899 235 H 24.6266 31.5608 37.3716 0.0162148 0.0190068 -0.00749379 33
9900 236 H 24.572 29.4858 38.5781 -0.000798701 -0.00758528 -0.00699023 33
9901 237 H 26.196 29.0681 38.0226 0.00979905 0.00681169 0.00304036 33
9902 238 H 27.1776 30.6749 39.5634 0.000764815 -0.0119036 0.0135805 33
9903 239 H 25.7029 31.5373 39.8435 -0.00642396 0.00117609 -0.00220041 33
9904 240 H 24.6293 29.6758 41.014 0.00315692 -0.00114275 0.000251298 33
9905 241 H 26.1196 28.7155 40.8152 0.014847 0.000997731 0.00536173 33
9906 242 H 27.3414 30.491 42.1537 0.00437057 -0.00197921 -0.00148545 33
9907 243 H 25.8149 31.3619 42.4519 -0.00333456 -0.00633605 0.00917515 33
9908 244 H 24.8948 29.3497 43.5669 0.00497917 0.00415147 0.00655647 33
9909 245 H 26.2899 28.4331 43.0626 -0.00701103 -0.00728223 -0.00252566 33
9910 246 H 26.9601 28.8317 45.1897 0.00823343 0.0028841 0.00672353 33
9911 247 H 27.7377 30.1826 44.527 -0.00058425 -0.00652173 -0.00300981 33
9912 248 H 25.8988 31.7153 45.2314 -0.00172469 -0.00436018 -0.00193052 33
9913 249 H 24.852 30.383 45.7299 -0.000169046 -0.000707305 -0.00469603 33
9914 250 H 27.4816 31.2861 47.0464 -0.00316033 0.00929148 0.0101922 33
9915 251 H 25.8195 31.511 47.6445 -0.0024221 -0.00559842 0.00946809 33
9916 252 H 26.4945 29.8896 47.6499 0.00338337 -0.000553741 -0.00464918 33
9917 253 H 34.1228 33.994 33.9327 -0.0037834 -0.00180524 0.0116067 33
9918 254 H 33.0105 35.2262 33.5209 0.00620197 0.00301418 0.00499208 33
9919 255 H 31.6888 34.9457 35.5258 0.00290202 0.00699407 0.0148078 33
9920 256 H 32.8345 33.7146 36.2072 0.00916285 0.00369103 -0.00187165 33
9921 257 H 34.669 35.2466 36.1033 0.00112175 0.0033312 0.0130498 33
9922 258 H 33.7058 36.4456 35.2538 0.00602248 -0.0041809 -0.000726537 33
9923 259 H 34.1327 36.9966 37.7095 -0.000696834 -0.00152818 -0.00979054 33
9924 260 H 32.4811 36.802 37.3517 -0.00301078 -0.0048506 0.00887618 33
9925 261 H 32.306 34.6609 38.5937 -0.00233299 -0.002783 -0.0136297 33
9926 262 H 34.0561 34.3465 38.4269 0.00211618 0.00169323 0.00870842 33
9927 263 H 34.6112 36.0756 39.9958 0.00146338 -0.00264625 -0.00388544 33
9928 264 H 32.9302 36.6966 40.051 -0.00991583 -0.00625662 -0.0138788 33
9929 265 H 32.1798 34.9713 41.4794 0.00132684 0.000928388 0.00258258 33
9930 266 H 33.4595 33.881 41.0875 0.00372734 0.00122948 -0.00479141 33
9931 267 H 35.0507 35.1316 42.3261 -0.00128925 -0.00121639 0.0089137 33
9932 268 H 34.0432 36.5673 42.4116 0.00911427 0.0027031 0.019251 33
9933 269 H 32.4166 35.4425 43.9717 0.00844698 0.0214078 -0.00371302 33
9934 270 H 33.4306 34.0092 44.0315 -0.0128016 0.0028055 0.00564654 33
9935 271 H 35.3619 35.4682 44.9673 -0.00115634 -0.00408296 0.0122175 33
9936 272 H 34.3973 36.8755 44.841 0.0084485 -0.00209957 -0.00916664 33
9937 273 H 34.2382 36.4732 47.0607 0.00286708 0.0041341 -0.00537224 33
9938 274 H 32.6812 36.0235 46.4456 0.00431708 0.00896449 -0.00874154 33
9939 275 H 33.4828 33.5053 46.6017 0.000231957 -0.00594787 0.0159778 33
9940 276 H 35.0227 34.1014 47.2665 0.0010576 2.40012e-05 -0.00470171 33
9941 277 H 33.433 34.3246 48.0932 0.00241595 -0.00337359 0.000752766 33
9942 278 H 31.777 26.2611 34.1464 -0.000533138 0.00367094 -0.00957282 33
9943 279 H 33.4828 26.52 33.7159 -0.00487841 -0.00874075 -0.0112565 33
9944 280 H 32.1346 28.0453 35.9328 -0.00441837 0.00703469 -0.023758 33
9945 281 H 33.8373 27.9876 35.5751 -0.00618883 0.0098056 0.0237248 33
9946 282 H 33.4248 25.2813 36.0649 0.0061236 0.00966747 -0.0051789 33
9947 283 H 31.9859 25.8291 36.8558 -0.00633721 0.0101437 -0.00728389 33
9948 284 H 33.5615 27.5805 38.1229 -0.00595711 -0.00041286 0.00216403 33
9949 285 H 34.8287 26.4841 37.6301 -0.00072786 -0.00547343 0.00181702 33
9950 286 H 33.6867 24.6209 38.7915 0.00790324 0.00382621 -0.00139715 33
9951 287 H 32.2279 25.6017 39.0612 -0.00406581 0.0102197 0.00506273 33
9952 288 H 33.6311 27.22 40.4552 0.00784581 0.00368248 -0.00563586 33
9953 289 H 34.9633 26.0017 40.2956 -0.000620531 0.000464028 -0.00153354 33
9954 290 H 33.4869 24.294 41.4534 0.00876653 -0.00168093 -0.00293421 33
9955 291 H 32.1649 25.5049 41.5056 -0.00118067 0.00224115 -0.0119984 33
9956 292 H 33.59 26.9376 42.9428 0.00203733 -0.00215928 0.00564399 33
9957 293 H 34.8945 25.6489 42.7826 -0.000994651 -0.00369759 0.00268845 33
9958 294 H 33.3693 23.996 43.757 -0.00589407 -0.00308729 0.012685 33
9959 295 H 32.1545 25.1748 44.0862 0.00108746 0.00870226 -0.00227356 33
9960 296 H 35.072 25.364 45.0931 0.00054519 -0.00537753 -0.0051539 33
9961 297 H 33.8295 24.4499 46.0023 0.00731221 -0.000606492 0.00437423 33
9962 298 H 32.6141 26.5089 46.5433 -0.00230342 0.00503338 -0.000467178 33
9963 299 H 33.4595 27.3975 45.3018 -0.00605617 0.00189262 0.0111968 33
9964 300 H 34.4141 27.9639 47.5199 -0.00974856 -0.00531729 0.00153279 33
9965 301 H 35.643 27.0333 46.5815 0.00407784 0.00197 -0.00268204 33
9966 302 H 34.7075 26.2095 47.8335 0.00688411 0.000754658 0.00229209 33
9967 1 C 36.996 40.771 30.5017 0.00359173 0.00261234 0.00205805 34
9968 2 C 37.1058 40.7079 29.11 -4.36449e-05 0.00214438 0.000594821 34
9969 3 C 36.6124 39.61 28.4111 -0.000684892 -0.00220293 -0.00182397 34
9970 4 C 36.0337 38.5884 29.1779 0.00193105 0.00329923 0.00103552 34
9971 5 C 35.9035 38.6212 30.5876 -0.00511734 -0.00476019 0.000143416 34
9972 6 C 36.3661 39.7691 31.2657 0.00090483 0.00157415 0.0057768 34
9973 7 C 31.4035 37.4357 29.9546 -0.00263211 -0.0052885 0.0030222 34
9974 8 C 31.5741 37.4217 28.5576 0.0013832 0.000280533 0.00235587 34
9975 9 C 32.8574 37.3981 28.0232 0.00254888 -0.00117732 0.000297434 34
9976 10 C 33.9575 37.3751 28.8982 -0.00567093 -0.000858571 -0.0041822 34
9977 11 C 33.7911 37.4158 30.3013 0.000219791 -0.000620867 -0.00424009 34
9978 12 C 32.4946 37.4466 30.8492 -0.00126445 0.00149208 0.000133561 34
9979 13 C 36.9531 33.9805 30.8379 -0.0040545 -0.00315316 0.0014794 34
9980 14 C 37.0781 33.9657 29.4468 -0.00156755 0.00351365 0.00465024 34
9981 15 C 36.671 35.1059 28.7133 -0.00402512 0.00485491 -0.000676299 34
9982 16 C 36.0342 36.1876 29.3034 -0.00496835 0.000542034 -0.0026728 34
9983 17 C 35.4316 37.3331 28.4757 0.00347413 0.00107637 0.00167421 34
9984 18 O 36.222 35.0453 32.9221 -5.86863e-05 -0.000816534 -0.0011644 34
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10215 249 H 28.3832 37.4867 44.8165 -0.00290323 0.00878904 0.00274527 34
10216 250 H 29.9858 38.3153 46.6107 0.00515035 0.00392162 -0.00785801 34
10217 251 H 29.9764 36.5984 46.4295 -0.0150047 -4.65024e-05 -0.00559789 34
10218 252 H 31.3162 37.5691 45.6604 -0.000617979 -0.0132228 -0.00269963 34
10219 253 H 37.8494 41.3363 32.9863 0.00279498 0.00619496 0.0106212 34
10220 254 H 36.2066 42.001 32.947 0.0047442 0.00035338 -0.00924185 34
10221 255 H 35.8807 40.5935 35.2132 0.00544815 -0.00854907 0.0045848 34
10222 256 H 37.5874 40.3838 35.1951 0.000695079 -0.00697214 -0.0165934 34
10223 257 H 38.0463 42.7824 35.3413 0.00183382 -0.0078038 0.0066182 34
10224 258 H 36.4469 43.1327 34.8221 -0.00295703 0.00118145 0.00500437 34
10225 259 H 36.4164 43.6857 37.145 0.0135618 0.00340587 -0.00136639 34
10226 260 H 35.5253 42.1464 36.9434 0.00359318 -0.00603601 -0.0122377 34
10227 261 H 37.3635 40.9042 37.7963 -0.0022237 -0.00430827 0.00280475 34
10228 262 H 38.4471 42.3649 37.7846 0.00978381 -0.0266075 -0.0100156 34
10229 263 H 36.9996 43.4407 39.4824 -0.00583164 -0.000353285 -0.00788008 34
10230 264 H 36.0032 42.0133 39.5893 -0.00234644 0.00812646 0.00579106 34
10231 265 H 38.0078 40.7339 40.372 -0.00667036 0.000812517 -0.00874753 34
10232 266 H 39.0212 42.1649 39.9136 0.00212764 0.000658944 0.00805575 34
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10234 268 H 37.898 43.4605 41.7893 -0.00578447 -0.0028596 0.00606197 34
10235 269 H 35.8357 42.4165 41.9985 -0.000138359 -0.00211312 0.000566622 34
10236 270 H 36.5492 40.8687 42.5861 -0.00948628 0.00474314 0.0154915 34
10237 271 H 36.9572 43.4653 44.1402 0.0119236 -0.00167314 0.00215139 34
10238 272 H 35.549 42.3505 44.3515 -0.00428669 0.0185723 -0.00711962 34
10239 273 H 37.1525 40.5093 44.7832 0.00439314 0.000713134 -0.0115699 34
10240 274 H 38.4897 41.6951 44.6894 0.00296745 -0.0129764 0.00584923 34
10241 275 H 37.7171 41.1749 47.1394 -0.00941124 -0.0010784 -0.00265143 34
10242 276 H 37.472 42.8659 46.7319 0.0286396 -0.0054559 -0.00430068 34
10243 277 H 36.093 41.7532 46.7142 -0.00646492 -0.00497553 -0.0163565 34
10244 278 H 36.7049 33.0259 33.3067 0.00977861 -0.00872764 0.00273641 34
10245 279 H 38.0413 34.1727 33.4693 -0.00475396 0.00262875 -0.0215768 34
10246 280 H 35.6858 33.6915 35.3562 0.00280445 -0.00521675 0.00394383 34
10247 281 H 36.9184 34.9251 35.6494 6.7453e-05 -0.000814162 0.010264 34
10248 282 H 38.5864 32.7284 35.3873 0.00582418 0.00622129 0.000763657 34
10249 283 H 37.0986 31.9248 35.7968 -0.00592302 0.00534015 -0.00108152 34
10250 284 H 38.672 33.7532 37.5673 0.00531905 -0.0069507 -0.00852974 34
10251 285 H 38.2308 32.036 37.8269 0.00231946 -0.00146076 -0.00234666 34
10252 286 H 35.9046 32.5854 38.0595 0.00621587 -0.0135881 0.00383307 34
10253 287 H 36.2801 34.3154 37.875 -0.00426678 -0.00956927 -0.0111548 34
10254 288 H 36.3236 34.3308 40.141 0.0168585 0.0113944 0.00534518 34
10255 289 H 37.9985 33.8847 39.79 -0.00325408 0.00123396 0.00538173 34
10256 290 H 37.0851 31.3998 39.8849 -0.000653836 0.00581316 -0.00207074 34
10257 291 H 35.6822 32.056 40.6997 -0.00328845 -0.00432369 -0.00357328 34
10258 292 H 38.5578 32.5253 41.6617 -0.0043551 0.00259464 -0.00705173 34
10259 293 H 37.6049 31.1576 42.2136 0.0155507 -0.00234751 -0.00874619 34
10260 294 H 35.8987 32.8414 43.0869 0.00296342 0.00649184 0.0151278 34
10261 295 H 37.0936 34.1117 42.7864 -0.0107364 0.00706091 0.00188092 34
10262 296 H 38.801 32.8885 44.1359 -0.00499899 0.00693748 -0.00313169 34
10263 297 H 37.5912 31.6304 44.4724 0.00815244 -1.80614e-05 0.0030098 34
10264 298 H 36.1516 33.2205 45.4998 0.000789215 -0.00558915 -0.00742484 34
10265 299 H 37.4042 34.5059 45.3455 0.00270692 -0.00398876 -0.00203996 34
10266 300 H 37.4946 33.5374 47.6923 -0.0105601 0.00629784 -0.00998549 34
10267 301 H 39.0017 33.2236 46.7591 -0.000513565 -0.00374383 0.000614642 34
10268 302 H 37.7878 31.9449 46.9859 0.000430592 4.34869e-05 0.00178606 34
10269 1 C 40.7762 33.916 31.008 -0.00789453 0.00208383 -2.26931e-05 35
10270 2 C 40.9224 33.7641 29.6407 0.00184186 -0.000598137 0.00150238 35
10271 3 C 40.536 32.5931 29.0092 -0.00240449 0.00197133 0.00113408 35
10272 4 C 39.8417 31.6 29.7595 0.000981013 0.000569038 0.00355871 35
10273 5 C 39.7502 31.7157 31.1908 0.000905921 -0.000782233 -5.56397e-05 35
10274 6 C 40.2059 32.8924 31.8242 -0.00274709 -0.0017979 -0.00152028 35
10275 7 C 35.1972 30.6174 30.4974 0.00539608 0.00465276 0.00124816 35
10276 8 C 35.4202 30.4409 29.1114 -0.00636617 0.000228764 0.000554022 35
10277 9 C 36.7048 30.336 28.6326 0.00127864 0.000863009 -0.00516372 35
10278 10 C 37.7855 30.3598 29.5218 0.00310556 0.00498417 -0.00043777 35
10279 11 C 37.6225 30.4737 30.924 -0.000135207 0.00142427 -0.00135871 35
10280 12 C 36.2771 30.5971 31.4119 -0.00197297 0.00339337 -0.000336646 35
10281 13 C 40.8327 27.0549 31.4261 0.00333424 0.000217027 0.00106957 35
10282 14 C 40.9523 27.005 30.0239 -0.00284662 0.00211286 0.00320198 35
10283 15 C 40.3833 28.0162 29.2589 0.000749731 -0.00148408 -0.00337758 35
10284 16 C 39.8634 29.1486 29.8823 -0.00192403 0.00189207 -0.00393007 35
10285 17 C 39.2644 30.3393 29.1085 0.00467873 0.0015184 -0.00429997 35
10286 18 O 40.1141 28.126 33.4663 0.000620658 0.00225537 -0.00015923 35
10287 19 O 35.9775 30.6397 32.7523 0.00112377 -0.00398479 0.000770957 35
10288 20 O 40.1488 33.0871 33.2258 0.000346423 -0.00233508 0.000664138 35
10289 21 C 40.2683 28.1685 32.0793 0.00186592 -0.000854382 -0.00500293 35
10290 22 C 39.571 30.2504 27.662 0.00116994 0.00278658 -0.000165442 35
10291 23 C 40.1027 30.1553 26.5895 -0.00413221 0.00301313 -0.00201085 35
10292 24 C 40.8984 30.2226 25.3889 0.00365773 0.00135832 0.00317567 35
10293 25 C 40.4539 31.0543 24.3265 -0.00170771 -0.00388451 -0.000978051 35
10294 26 C 41.2974 31.2664 23.2281 -0.00334753 0.00442927 0.00530499 35
10295 27 C 42.538 30.6302 23.1881 -0.000967477 0.00434023 0.00276217 35
10296 28 C 42.9341 29.7764 24.2095 0.000780933 0.0024182 -0.00195517 35
10297 29 C 42.1172 29.5996 25.34 0.000919286 0.00299594 -0.00210754 35
10298 30 C 43.3587 30.7021 22.0171 -0.00352752 -0.00486212 0.00189316 35
10299 31 C 43.8858 30.7399 20.9193 0.00250037 0.00158991 0.000812712 35
10300 32 C 42.591 27.3043 18.6875 0.00692805 -0.00289157 0.00331923 35
10301 33 C 42.7455 27.3422 17.2833 0.00226549 0.000322058 -0.000439754 35
10302 34 C 43.3444 28.4005 16.6241 -0.00304812 -0.00013402 -0.00363659 35
10303 35 C 43.7782 29.4935 17.3834 0.00281626 -0.00651365 -0.000648077 35
10304 36 C 43.645 29.4818 18.8017 -0.00266276 0.00262111 -0.00303861 35
10305 37 C 43.0197 28.3893 19.4518 -0.00290108 0.00513901 -0.00151867 35
10306 38 C 44.1925 30.7575 19.4943 0.00231056 0.00211713 0.00174178 35
10307 39 C 48.0673 30.8613 19.2336 -0.00275097 -0.000902835 -0.000779638 35
10308 40 C 48.1496 31.1358 17.8575 0.00368889 -0.000249992 0.000506572 35
10309 41 C 47.0109 31.0933 17.0142 -0.00454486 -0.00401527 0.00102751 35
10310 42 C 45.7748 30.842 17.6276 -0.000914894 0.00140633 0.00271825 35
10311 43 C 45.6636 30.7645 19.0185 0.000731859 -0.000763005 0.00010082 35
10312 44 C 46.8414 30.6903 19.8446 0.00137555 0.00441756 -0.00100858 35
10313 45 C 42.1428 33.923 18.6033 -0.0012848 0.0014123 0.000756022 35
10314 46 C 42.2717 33.8775 17.2005 -0.0026346 0.0023414 0.0029848 35
10315 47 C 43.0392 32.911 16.5946 -0.00160875 -0.00687091 -0.00259921 35
10316 48 C 43.6633 31.9536 17.3858 0.00114541 -0.00132013 0.00261628 35
10317 49 C 44.4703 30.7563 16.848 0.0016213 0.00250587 -0.00374833 35
10318 50 C 43.4952 31.9679 18.7996 -0.0053226 -0.0017693 -0.00110574 35
10319 51 C 42.7095 32.9509 19.4027 -0.00126207 0.000168601 -0.00734332 35
10320 52 O 47.1306 31.549 15.7259 -0.00221618 0.00138623 -0.00193871 35
10321 53 O 43.5351 28.383 15.2778 0.00192988 -0.00118452 -0.00105231 35
10322 54 O 43.3228 32.9566 15.2086 -0.00215907 -0.00239463 -0.000765716 35
10323 55 C 38.941 30.5266 31.7749 0.00335272 -0.000599808 -0.00428588 35
10324 56 C 39.7293 29.2302 31.2912 -0.00124275 -0.00132889 -0.000349265 35
10325 57 C 46.952 30.6676 14.5971 -0.00334557 -0.00318371 0.00287537 35
10326 58 C 46.7555 31.5281 13.3236 0.00415944 0.00192708 0.00453634 35
10327 59 C 46.6085 30.6813 12.0413 0.0022842 0.000921697 -0.00107419 35
10328 60 C 46.4886 31.51 10.7264 -0.001808 -0.0040041 -0.00102004 35
10329 61 C 46.395 30.5992 9.47801 0.00309437 -0.00148662 -0.000628788 35
10330 62 C 46.2578 31.3112 8.11795 0.000864127 -2.19518e-05 -0.000257017 35
10331 63 C 46.2735 30.3421 6.93795 -0.000808218 0.000104164 0.000645507 35
10332 64 C 45.9822 30.9927 5.55079 -0.00113633 0.000295414 -0.00105558 35
10333 65 C 46.0249 29.9513 4.39671 0.000826313 0.00157317 0.00207938 35
10334 66 C 45.5802 30.4078 3.02284 -0.00386868 -0.00173508 -0.000734022 35
10335 67 C 46.6785 31.1896 2.24412 -0.000423116 -0.00179091 0.00196893 35
10336 68 C 46.3719 31.4394 0.791666 0.00145484 -0.000171647 0.00624606 35
10337 69 F 40.8489 32.1511 22.3373 -0.00109817 -0.00221402 0.00142962 35
10338 70 C 44.0692 27.2818 14.5342 0.000220167 -0.00429177 -0.000524083 35
10339 71 C 44.9303 27.9777 13.4393 -0.00373184 0.00218013 0.00226161 35
10340 72 C 45.0115 27.3484 11.9941 -0.0024821 -5.04494e-05 0.0021607 35
10341 73 C 45.5025 25.8305 11.9737 -0.00176071 0.000202362 0.00133765 35
10342 74 C 46.2294 25.4006 10.677 -0.00335938 0.000834759 0.00367194 35
10343 75 C 45.7933 26.1902 9.41332 -0.00474361 -0.00350135 -0.00191159 35
10344 76 C 46.2093 25.439 8.1497 0.00219113 -0.00152453 0.000517196 35
10345 77 C 46.0018 26.2439 6.84173 -0.00252956 0.00154838 -0.00619938 35
10346 78 C 46.4355 25.5098 5.5508 -0.000615289 0.00204347 -0.00352372 35
10347 79 C 46.2823 26.4069 4.282 6.19206e-05 -0.00336538 0.00200002 35
10348 80 C 46.8647 25.7071 3.03154 -0.00364166 0.000155816 -0.0015316 35
10349 81 C 46.5823 26.5471 1.80852 0.00678384 0.000559595 0.00334344 35
10350 82 C 42.3149 32.5643 14.273 -0.000371995 0.00682657 0.00183175 35
10351 83 C 42.9506 31.4079 13.4519 -0.00531642 -0.0013222 -0.00242436 35
10352 84 C 42.5647 31.3554 11.9712 0.00257122 0.000660593 -0.000896653 35
10353 85 C 42.727 32.6295 11.1775 -0.00206738 -0.00357233 0.000202826 35
10354 86 C 42.4731 32.3891 9.68787 -0.0032614 -0.00231138 -0.000912227 35
10355 87 C 42.8778 33.6462 8.85691 -0.00564957 0.0046585 -0.00349779 35
10356 88 C 41.9295 34.0426 7.69756 0.000130788 0.00404402 0.000108395 35
10357 89 C 41.1971 32.921 6.92354 0.000121059 0.00180875 -0.00171768 35
10358 90 C 42.1005 32.0747 6.01257 -0.000926251 -0.000988422 5.60783e-05 35
10359 91 C 42.5461 32.7176 4.69387 0.00582188 -0.00141152 0.000780584 35
10360 92 C 41.4074 33.2154 3.79079 -0.00263912 0.00059632 0.00545191 35
10361 93 C 41.7999 33.2367 2.28804 0.00361359 0.00306721 -0.000963337 35
10362 94 C 34.6651 30.8982 33.2558 0.00440198 -0.001872 -0.0022162 35
10363 95 C 34.5139 30.795 34.7771 -0.000992536 0.00265859 0.00107184 35
10364 96 C 33.142 30.8932 35.3717 -0.00604246 0.00312459 -0.00167246 35
10365 97 C 33.0145 30.5115 36.8568 -0.00513361 -0.00234956 -0.00397902 35
10366 98 C 33.8438 31.3671 37.8046 0.000910447 -0.00188706 -0.00287753 35
10367 99 C 33.3097 31.3329 39.2645 0.0023753 7.91365e-05 -0.00246798 35
10368 100 C 33.6532 30.0657 40.0201 -0.000568176 0.00247102 0.000348466 35
10369 101 C 33.0433 29.9843 41.4747 -0.000650137 0.00025148 -0.00271788 35
10370 102 C 33.8062 30.8338 42.4711 -2.77364e-05 -0.000937536 0.00350474 35
10371 103 C 33.3418 30.507 43.9032 -0.000810535 -0.00092908 0.00117286 35
10372 104 C 34.2122 31.1774 44.9822 0.00176646 -0.00101779 -0.000175348 35
10373 105 C 33.7021 30.9527 46.4217 0.000355099 0.00135278 -0.00148565 35
10374 106 C 40.6813 34.2983 33.7616 -0.00128755 0.00166718 0.00176481 35
10375 107 C 40.7725 34.454 35.2719 -0.00335229 -0.00131447 0.00254982 35
10376 108 C 41.4016 35.7764 35.6385 0.00289179 0.00120239 0.00276025 35
10377 109 C 41.2354 36.202 37.126 -0.00352486 -0.00418855 -0.000322573 35
10378 110 C 42.0917 35.3114 38.057 0.00677466 -0.000180442 0.00229289 35
10379 111 C 41.968 35.5953 39.5524 -0.00297836 -0.00416756 0.00204771 35
10380 112 C 40.5481 35.2865 40.0927 0.00228096 -0.002099 0.00371407 35
10381 113 C 40.4316 34.7138 41.5364 0.00340617 -7.72453e-05 0.000789826 35
10382 114 C 41.1708 35.4731 42.6894 -1.80462e-05 -0.000515891 -0.000585901 35
10383 115 C 40.7533 34.9049 44.0545 -0.000692216 -0.000516336 0.00468546 35
10384 116 C 41.4585 35.5362 45.2752 0.00677845 0.00198624 0.00102378 35
10385 117 C 40.9812 35.0228 46.624 0.00109445 0.0027842 -0.000824143 35
10386 118 C 40.512 26.9639 34.2362 -0.00277241 -0.00106885 -0.00204172 35
10387 119 C 40.1635 26.9626 35.7491 0.00379099 -2.50663e-05 -0.00140512 35
10388 120 C 41.2283 26.2773 36.5946 0.00116975 -0.000905474 0.00138228 35
10389 121 C 41.0274 26.3806 38.1345 -0.00476927 0.000758749 0.000318259 35
10390 122 C 42.2982 25.8533 38.8826 -0.00256085 0.00107947 0.00111516 35
10391 123 C 42.2736 25.9314 40.4 -0.0021453 0.000886311 0.00120138 35
10392 124 C 41.1209 25.1509 41.0812 -0.00123523 -0.00427641 -0.00183262 35
10393 125 C 41.307 25.0307 42.6213 0.00414782 -0.000786438 -0.00367176 35
10394 126 C 41.4804 26.3902 43.3051 0.000424948 -0.00256206 -0.00486644 35
10395 127 C 41.3543 26.4446 44.8721 -0.00100637 0.00208428 0.000724202 35
10396 128 C 42.2066 25.4313 45.6977 0.00558759 -0.00151062 0.00218902 35
10397 129 C 42.085 25.6113 47.2011 -0.00136351 -0.00380723 0.00273435 35
10398 130 F 39.2351 31.7011 24.3959 0.00205671 0.000914424 -0.000307906 35
10399 131 H 41.0827 34.8843 31.3926 0.00464455 -0.00257427 0.00166037 35
10400 132 H 41.4454 34.5541 29.1098 -0.00587233 0.0102585 0.0100408 35
10401 133 H 40.6878 32.551 27.9347 0.00671546 -0.00743072 0.00280265 35
10402 134 H 34.1695 30.7714 30.8129 0.00296083 0.00203408 -0.0053788 35
10403 135 H 34.5983 30.5468 28.4095 -0.00327366 0.00614825 -0.00218597 35
10404 136 H 36.9044 30.3086 27.5655 0.00508653 0.0029834 -0.00451275 35
10405 137 H 41.1586 26.1921 31.9995 0.00188889 -4.8879e-05 0.00149438 35
10406 138 H 41.4 26.1598 29.5094 -0.00694751 0.0044564 -0.0042262 35
10407 139 H 40.4414 27.8864 28.1822 -0.00423899 -0.0128221 -0.00229066 35
10408 140 H 43.913 29.3062 24.1993 0.0022409 0.00537232 0.00123227 35
10409 141 H 42.4545 28.9265 26.1226 -0.0141948 0.00465315 0.00579284 35
10410 142 H 42.1211 26.4431 19.1533 0.00312452 -0.00511279 -0.00460392 35
10411 143 H 42.4071 26.4983 16.6895 0.00547808 0.00522568 -0.0092453 35
10412 144 H 42.8889 28.3259 20.5281 -0.00229319 0.0109513 -0.00110889 35
10413 145 H 48.9642 30.8907 19.8453 -0.00551201 0.00226295 0.0031184 35
10414 146 H 49.1195 31.3536 17.4203 -0.00179528 0.00126243 -0.0108911 35
10415 147 H 46.7196 30.5962 20.9196 -0.00303388 -0.00750986 -0.00254436 35
10416 148 H 41.5806 34.6977 19.1163 0.00887117 -0.00158856 0.0164748 35
10417 149 H 41.7562 34.6424 16.6273 0.000876021 -0.000646393 -0.00412669 35
10418 150 H 44.5158 30.7372 15.7522 0.0234949 -0.00200604 -0.00273831 35
10419 151 H 42.5547 32.9803 20.4772 0.00167763 -0.000249076 -0.00690792 35
10420 152 H 38.741 30.545 32.8533 -0.0156785 0.0133267 -0.00805489 35
10421 153 H 47.861 30.0537 14.5815 0.00149377 0.00425255 -0.00664862 35
10422 154 H 46.0602 30.0381 14.7058 0.00108459 -0.00926409 0.00392503 35
10423 155 H 47.6071 32.211 13.2145 0.0070645 -0.00188546 0.003342 35
10424 156 H 45.8716 32.1717 13.4119 -0.000914391 -0.0039142 -0.00347354 35
10425 157 H 45.6718 30.111 12.07 0.00131529 0.00222704 -0.00649535 35
10426 158 H 47.4328 29.9633 11.9494 -0.00963079 -0.0115672 -0.0104003 35
10427 159 H 47.3177 32.2271 10.6842 -0.0104628 0.00640938 0.00587023 35
10428 160 H 45.5284 32.0364 10.7929 0.000228909 -0.000185134 -0.00197108 35
10429 161 H 45.5245 29.9476 9.62317 -0.00539692 0.00960805 -0.00176428 35
10430 162 H 47.2561 29.9206 9.44049 -0.000425831 -0.0064697 0.00864807 35
10431 163 H 47.0622 32.0479 8.00089 0.00227749 -0.000558846 0.00606886 35
10432 164 H 45.2906 31.8243 8.05025 0.00320112 0.00692452 0.0195318 35
10433 165 H 45.5425 29.5568 7.16675 0.00931186 -0.00213852 0.0254553 35
10434 166 H 47.2445 29.8318 6.92636 -0.00356608 -0.00483179 -0.0127081 35
10435 167 H 46.7803 31.7102 5.3235 0.0103279 -0.00917055 0.00928517 35
10436 168 H 45.0362 31.5479 5.56884 -0.0104942 -0.0161731 0.0144051 35
10437 169 H 45.4011 29.0908 4.66861 0.000852281 -0.000422951 -0.00416577 35
10438 170 H 47.0491 29.5688 4.30655 0.00331044 0.00652899 0.00932203 35
10439 171 H 44.699 31.0546 3.11563 0.00718746 0.0108676 0.0167934 35
10440 172 H 45.3562 29.5273 2.40798 0.00225374 -0.0128213 0.0129286 35
10441 173 H 47.5708 30.5517 2.25856 0.00186181 0.00149373 0.00534152 35
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10458 190 H 47.2747 25.1839 8.20593 0.00225336 0.000456996 0.00817266 35
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10460 192 H 44.9297 26.4617 6.76115 -0.00414968 -0.00275759 0.00355419 35
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10477 209 H 42.0518 33.4169 11.5348 0.0037771 -0.00321407 0.0104686 35
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10481 213 H 42.9364 34.5125 9.52735 0.00499158 -0.00708447 0.0107051 35
10482 214 H 43.8498 33.4133 8.40489 -0.00366987 -0.00760218 0.00704746 35
10483 215 H 41.1546 34.7447 8.02908 -0.0122212 -0.0122394 0.00582257 35
10484 216 H 42.5508 34.548 6.94796 0.0108767 -0.00701647 0.0015331 35
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10486 218 H 40.4551 33.437 6.30181 -0.00296881 0.00681504 0.00611466 35
10487 219 H 42.9776 31.6734 6.53515 -0.00140311 0.00252003 0.00352754 35
10488 220 H 41.5409 31.1797 5.71389 -0.00856718 0.00502119 -0.00362958 35
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10490 222 H 43.0686 31.9157 4.15786 0.00682919 -0.000898941 0.000998951 35
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10500 232 H 32.6962 31.8908 35.274 0.00270618 0.00700315 -0.00181404 35
10501 233 H 32.4445 30.2439 34.8283 -0.00251215 -0.0105708 0.0101595 35
10502 234 H 31.9548 30.5264 37.1403 -0.00368088 0.00939734 0.000804677 35
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10504 236 H 34.8399 30.9091 37.8417 -0.00694203 -0.0180047 0.00992807 35
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10506 238 H 33.5662 32.2359 39.832 0.00921805 -0.00190591 -0.00244704 35
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10510 242 H 31.9693 30.2075 41.4828 0.000301707 0.00473647 -0.00121091 35
10511 243 H 33.0486 28.9346 41.7934 0.00467734 -0.00271876 -0.0125893 35
10512 244 H 34.8875 30.7076 42.3358 -0.00124808 -0.00287709 -0.00448763 35
10513 245 H 33.669 31.896 42.2338 0.00703579 -0.00279657 -0.00898803 35
10514 246 H 32.3094 30.8576 44.0244 0.000682282 0.000657699 0.00934032 35
10515 247 H 33.429 29.4216 44.036 0.00489073 -0.000328193 0.00242305 35
10516 248 H 35.2108 30.7433 44.8489 0.00476691 0.00460755 0.00414941 35
10517 249 H 34.2388 32.2571 44.79 0.0158346 -0.000254015 0.00614437 35
10518 250 H 32.641 31.204 46.5417 0.00198144 -0.00266956 0.0216236 35
10519 251 H 33.7962 29.905 46.7329 0.00147769 0.00425465 0.00799868 35
10520 252 H 34.2069 31.5242 47.2104 0.0205229 -0.0137004 -0.00353628 35
10521 253 H 41.6982 34.4408 33.3756 -0.00110367 -0.0154697 -0.00408731 35
10522 254 H 40.0011 35.0949 33.4359 0.00613518 0.00475231 -0.00612352 35
10523 255 H 39.765 34.4335 35.7054 -0.00269274 0.0027083 0.0042622 35
10524 256 H 41.2947 33.5845 35.69 -0.00888557 -0.00562263 0.000536812 35
10525 257 H 42.4439 35.8384 35.3021 0.000535311 0.00891 -0.00315957 35
10526 258 H 40.898 36.5714 35.0749 0.00644781 0.00220643 0.00100341 35
10527 259 H 41.6173 37.2279 37.1974 -0.0163998 0.000569749 -0.000127712 35
10528 260 H 40.1728 36.1691 37.3964 -0.00225462 -0.00668899 0.0043569 35
10529 261 H 41.8342 34.2602 37.8779 -0.00147531 0.00082734 0.00826581 35
10530 262 H 43.1479 35.3669 37.7657 0.0042969 0.00930027 -0.00486244 35
10531 263 H 42.665 34.9457 40.0961 -0.00257171 -0.00220314 0.00386953 35
10532 264 H 42.2099 36.6544 39.7047 -0.00294657 -0.00571388 0.0126874 35
10533 265 H 39.9045 36.1728 40.0311 0.00495184 -0.00124947 -0.0115593 35
10534 266 H 40.1354 34.5272 39.417 0.0124942 0.00344801 -0.00878867 35
10535 267 H 39.3442 34.7508 41.6765 0.00285685 -0.00400133 -0.00241829 35
10536 268 H 40.7448 33.6643 41.5988 0.000950961 -0.00064814 0.00356666 35
10537 269 H 42.2602 35.376 42.6036 0.00128342 0.00814339 0.00601752 35
10538 270 H 40.9578 36.5487 42.6581 -0.00327265 -0.0011669 -0.000751196 35
10539 271 H 39.6699 35.0104 44.1905 -0.00315749 -0.00338029 -0.0128125 35
10540 272 H 40.9587 33.8273 44.0549 0.0055847 0.000672097 -0.0200345 35
10541 273 H 42.5505 35.4963 45.1781 0.00641314 -0.000656354 -0.00195001 35
10542 274 H 41.2571 36.6144 45.2928 0.00366517 0.00145014 -0.00203564 35
10543 275 H 39.8914 35.1434 46.659 0.0005002 -0.00252559 -0.000987929 35
10544 276 H 41.2626 33.9669 46.7207 -0.0123209 -0.00167473 -0.0105289 35
10545 277 H 41.4264 35.5658 47.4668 0.00385624 -0.00561407 0.00313917 35
10546 278 H 40.0467 26.052 33.842 -0.00256433 -0.00513169 0.00708308 35
10547 279 H 41.5866 26.8441 34.0511 -0.000886238 0.00934067 0.00221264 35
10548 280 H 39.1665 26.5385 35.921 0.00504197 0.000905737 0.00812734 35
10549 281 H 40.1329 27.9892 36.1343 0.00113452 -0.00338941 0.00735529 35
10550 282 H 42.1753 26.7856 36.3751 0.00430617 -0.00220915 0.0118837 35
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10552 284 H 40.1461 25.8255 38.4789 -0.00666908 -5.14415e-07 -0.0057993 35
10553 285 H 40.8706 27.4113 38.476 -0.00416076 0.00190035 -0.0028701 35
10554 286 H 43.126 26.4791 38.5271 -0.00145046 0.00406526 0.00899267 35
10555 287 H 42.5709 24.8634 38.4963 -0.00554899 -0.000757889 0.00373907 35
10556 288 H 42.1864 26.9942 40.6572 0.00374323 0.00353531 -0.00773826 35
10557 289 H 43.1974 25.4873 40.791 -0.000659909 -0.00635821 -0.0105077 35
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10559 291 H 40.1991 25.7109 40.8807 0.00287872 -0.000207386 -0.00941403 35
10560 292 H 42.1061 24.3191 42.8633 0.00464376 -0.00301757 -0.0118748 35
10561 293 H 40.451 24.5501 43.1108 0.00078927 -0.002364 -0.0111342 35
10562 294 H 40.7134 27.0304 42.8519 0.00692646 0.00574256 -0.0041357 35
10563 295 H 42.4515 26.796 42.9957 0.00181492 -0.00105053 0.00149795 35
10564 296 H 40.2918 26.322 45.116 -0.00240833 -0.0095908 -0.0112311 35
10565 297 H 41.6032 27.4634 45.1938 0.00427498 0.000611194 0.0012829 35
10566 298 H 43.2516 25.5077 45.3728 0.00237599 0.00222672 -0.00729437 35
10567 299 H 41.8469 24.4193 45.4744 -0.0012885 0.000727538 0.00308299 35
10568 300 H 42.6537 24.7914 47.6568 -0.0134381 -0.00797983 0.0103027 35
10569 301 H 41.0434 25.4699 47.5152 -0.00293743 0.00770955 0.00265217 35
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10572 2 C 45.2245 40.4188 30.1268 0.00209751 0.00278658 0.00357564 36
10573 3 C 44.726 39.4131 29.2998 0.00276282 -0.000544544 0.00222921 36
10574 4 C 43.9011 38.427 29.8845 -0.00297804 0.00164417 0.00206111 36
10575 5 C 43.5924 38.4492 31.2676 -0.00302322 7.0791e-07 -0.00332906 36
10576 6 C 44.013 39.5771 32.0563 -0.00010181 0.00117779 -0.0055724 36
10577 7 C 39.1737 37.29 30.2943 -0.00355521 -0.00384157 0.00205834 36
10578 8 C 39.4675 37.2764 28.94 -0.000813645 -0.00397835 9.9697e-06 36
10579 9 C 40.7836 37.3044 28.4713 -0.00685566 0.00469024 -0.000778287 36
10580 10 C 41.8188 37.2879 29.4402 9.65035e-05 0.000655372 0.00200886 36
10581 11 C 41.5436 37.2739 30.8136 0.00409778 -0.00103694 -0.000210899 36
10582 12 C 40.1871 37.2843 31.2662 0.00222096 -0.000604412 0.00762553 36
10583 13 C 44.8733 33.9192 31.4399 0.00212002 0.00327777 -0.000117229 36
10584 14 C 45.0257 33.9046 30.0426 0.00110408 -0.000416036 0.00237536 36
10585 15 C 44.4605 34.8952 29.2555 0.00298229 0.00274745 0.000783904 36
10586 16 C 43.8189 35.9893 29.8787 0.001579 -0.000497751 0.00374913 36
10587 17 C 43.3075 37.2315 29.1276 0.00744085 0.00201224 0.000575781 36
10588 18 O 44.1182 34.9315 33.462 -0.00376405 -0.000434195 -0.00265235 36
10589 19 O 39.9087 37.3401 32.6216 0.00115307 0.00015908 0.00447024 36
10590 20 O 43.6791 39.6403 33.3843 0.000606481 -0.00307392 -0.00208867 36
10591 21 C 44.1587 34.9509 32.0873 0.000598598 0.00191559 -0.00180501 36
10592 22 C 43.6341 37.196 27.6858 0.00555852 0.00192939 -0.00137002 36
10593 23 C 44.1708 37.1488 26.6106 -0.00371404 -0.00230303 0.000863939 36
10594 24 C 45.0109 37.2319 25.4593 0.0026414 0.000320397 -0.00114549 36
10595 25 C 45.6306 38.4504 25.0985 4.7056e-05 -0.00445014 -0.00223708 36
10596 26 C 46.5691 38.4534 24.0282 0.00116261 -0.00124498 0.00229111 36
10597 27 C 46.8298 37.2638 23.2989 -0.00256379 0.00316577 -0.00143092 36
10598 28 C 46.2418 36.0452 23.6875 5.91891e-05 -0.00215188 0.00122274 36
10599 29 C 45.3413 36.042 24.7475 -0.00367241 -0.00198409 -0.000269814 36
10600 30 C 47.6188 37.3431 22.1477 0.00118297 -0.00393428 -0.00209719 36
10601 31 C 48.0568 37.4144 21.0339 0.00182748 0.000906264 0.00412184 36
10602 32 C 46.0782 34.3821 18.6473 0.00277013 -0.00225663 0.000597346 36
10603 33 C 46.3302 34.3399 17.2603 -0.000597195 -0.00153242 -0.000463152 36
10604 34 C 47.1945 35.2691 16.6777 -0.00456127 -0.000538867 -0.00527761 36
10605 35 C 47.7025 36.3114 17.4772 -0.00393871 -0.00427124 -0.00289016 36
10606 36 C 47.5255 36.314 18.8589 0.00381843 -0.00403349 -0.00492748 36
10607 37 C 46.6738 35.3517 19.4395 -0.00477635 0.00335917 -0.00034994 36
10608 38 C 48.2668 37.4249 19.6075 -0.00095177 -0.00185091 0.00715717 36
10609 39 C 52.1356 37.5928 19.3365 0.00171012 0.00534702 0.000493656 36
10610 40 C 52.2127 37.6183 17.924 -6.99185e-05 -0.00126717 0.00326958 36
10611 41 C 51.0726 37.505 17.1279 -0.00014625 0.00339072 -0.000440521 36
10612 42 C 49.8344 37.4384 17.7113 0.00341066 -0.00463437 -0.000873144 36
10613 43 C 49.7053 37.3869 19.126 0.00467046 -0.00215369 -0.00311804 36
10614 44 C 50.8681 37.4532 19.9264 -0.00135895 -0.00148158 -0.00022139 36
10615 45 C 46.6188 40.8472 18.8043 0.00128978 0.0027645 -0.00038152 36
10616 46 C 46.7959 40.8767 17.4407 -0.00145394 -0.00230261 -0.00276611 36
10617 47 C 47.4457 39.8291 16.7777 0.00139136 0.00416974 -0.00261693 36
10618 48 C 47.8553 38.7137 17.5308 -0.00298753 -0.00147054 -0.00292108 36
10619 49 C 48.5285 37.4874 16.9536 -0.00244554 -0.00256067 -0.0017644 36
10620 50 C 47.7158 38.7089 18.9351 -0.00324244 -0.00466178 0.000187287 36
10621 51 C 47.0864 39.7897 19.5911 0.00432888 0.000180728 -0.000863982 36
10622 52 O 51.1179 37.6128 15.7466 -0.00463947 0.00150115 0.000190895 36
10623 53 O 47.4551 35.245 15.3294 0.00466854 0.00255235 0.000503253 36
10624 54 O 47.6411 39.8972 15.4066 -0.000259307 0.00263573 -0.00432777 36
10625 55 C 42.7859 37.2336 31.7483 -8.81578e-05 0.00356526 -0.00330333 36
10626 56 C 43.638 36.005 31.2965 0.00495361 0.00317374 -0.00282066 36
10627 57 C 51.7849 36.5304 15.0618 -0.00303088 -0.000383013 -0.00229899 36
10628 58 C 50.8556 35.9613 14.0118 0.00406891 0.00121758 -0.000283528 36
10629 59 C 50.395 36.9402 12.879 0.00153874 0.00180213 0.00124047 36
10630 60 C 50.3238 36.1905 11.5077 0.00138533 0.00273549 0.00216755 36
10631 61 C 49.979 37.1576 10.309 -0.000411425 0.00295504 -0.000831977 36
10632 62 C 49.9853 36.2998 9.02367 -0.000618259 0.00161718 0.00154481 36
10633 63 C 49.7416 37.1337 7.74328 0.00246369 0.00224031 -7.03387e-05 36
10634 64 C 49.8449 36.2736 6.45903 0.00350757 -0.00237197 0.00139146 36
10635 65 C 49.6335 37.0981 5.18213 -0.00215534 0.000297319 -0.000481228 36
10636 66 C 49.6594 36.1497 3.95157 -0.00194729 0.00319114 -0.000288838 36
10637 67 C 50.2334 36.7264 2.6529 0.000871754 0.0030912 -0.000724797 36
10638 68 C 49.3372 37.7767 1.96714 -0.000329423 0.00433603 0.0030163 36
10639 69 F 47.1169 39.6293 23.6534 0.00196072 -0.00127258 0.00167968 36
10640 70 C 46.389 35.1784 14.3673 -0.00273301 -0.00198038 -0.000849914 36
10641 71 C 47.1204 35.2522 13.0385 0.000451797 -0.00462175 -0.00324397 36
10642 72 C 46.1566 34.9773 11.8544 -0.000744785 -0.000361344 0.00119227 36
10643 73 C 46.8884 35.2566 10.5468 -0.000100046 -0.00345509 0.00154354 36
10644 74 C 45.9428 34.9449 9.36046 -0.00034116 -0.00137248 0.00294766 36
10645 75 C 46.6139 35.1449 7.96145 0.00181546 -0.00322339 -0.00445258 36
10646 76 C 45.7064 34.9439 6.72296 0.00175491 0.00276887 0.00214947 36
10647 77 C 46.4732 35.2097 5.4111 -0.0013616 -0.00172831 0.00303747 36
10648 78 C 45.6651 34.6667 4.21698 0.000183437 0.00130376 -0.00300296 36
10649 79 C 46.3066 35.0829 2.88214 -0.00200332 0.00218378 0.00142508 36
10650 80 C 45.3267 34.8235 1.74233 0.00345842 0.00348756 0.00337009 36
10651 81 C 45.7918 35.314 0.379153 -0.00662165 -0.00120473 -0.000490538 36
10652 82 C 48.7881 40.4832 14.8899 -0.000290582 0.00144451 0.00556259 36
10653 83 C 48.7805 40.318 13.3654 -0.00386925 -0.000263421 0.00302619 36
10654 84 C 49.6848 41.2365 12.5133 0.00289345 0.00360168 0.00288632 36
10655 85 C 49.5339 40.999 11.0145 0.00470521 -0.0015145 0.00154591 36
10656 86 C 50.29 42.0221 10.1127 0.000638967 0.000821613 0.00355856 36
10657 87 C 50.5744 41.4936 8.67112 0.00383913 -0.00197397 0.00378732 36
10658 88 C 49.4224 40.7158 7.97583 0.00105159 -0.00038074 0.00276153 36
10659 89 C 49.819 40.3376 6.55205 -0.000167718 0.00214509 0.00134348 36
10660 90 C 49.8823 41.4676 5.4913 0.000281349 0.0016598 -0.00274466 36
10661 91 C 49.9111 40.9283 4.0264 0.00247626 -0.00214897 0.000580757 36
10662 92 C 49.8723 42.0393 2.9756 0.000170979 0.000864864 -0.000146769 36
10663 93 C 49.8205 41.4785 1.52488 0.000476766 0.00115011 -0.00109631 36
10664 94 C 38.5256 37.3959 33.0344 0.0022388 0.00138397 -0.00429734 36
10665 95 C 38.392 37.3033 34.561 0.00287653 -0.00240308 -0.000403617 36
10666 96 C 36.9912 37.6524 35.0617 0.00327124 0.00292118 -0.00202421 36
10667 97 C 37.0109 38.066 36.57 3.34983e-05 0.00398536 -0.00120843 36
10668 98 C 37.2631 36.8626 37.4998 6.82026e-05 -0.00120617 0.00340107 36
10669 99 C 37.7216 37.2098 38.9199 0.0027886 0.00195712 -0.0056193 36
10670 100 C 36.7226 38.0542 39.7359 -0.00219115 -0.00279335 -0.00477918 36
10671 101 C 36.8912 37.9489 41.2676 -0.00534572 0.00319265 -0.00354782 36
10672 102 C 38.3169 37.8395 41.7973 0.00273845 -0.00115393 0.000703222 36
10673 103 C 38.4553 38.1436 43.3113 0.00113552 -0.00420365 0.00256943 36
10674 104 C 37.5014 37.2461 44.1737 -0.000436322 0.00141777 -0.00569071 36
10675 105 C 37.6585 37.4764 45.7219 0.000644355 -0.00096466 0.000771088 36
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10678 108 C 44.3379 41.7732 36.3071 -0.000705935 -0.00116462 0.00438917 36
10679 109 C 45.3104 41.6328 37.4852 -0.000928612 0.00260309 -0.00396531 36
10680 110 C 44.5948 41.7651 38.8469 -0.000375922 -0.000493189 0.000959809 36
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10684 114 C 44.9339 41.9075 43.8896 0.00267629 -0.00388487 -0.0026026 36
10685 115 C 45.8197 41.9852 45.1811 -0.001369 -0.000395222 0.00395459 36
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10688 118 C 44.4379 33.7251 34.2058 -0.000452194 -0.00120146 -0.0015815 36
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10696 126 C 44.1788 32.5475 44.0881 0.00123447 -0.000226656 0.000805555 36
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10698 128 C 44.9551 33.8018 46.2059 -0.00327354 -0.00250204 -0.0013624 36
10699 129 C 45.755 33.7149 47.5159 -0.00298499 -0.00252389 -0.000689619 36
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10775 205 H 49.089 39.2841 13.1673 0.00631385 0.00385395 -0.0026095 36
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10785 215 H 49.1122 39.8681 8.59915 0.00160604 0.000409303 0.00411742 36
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10789 219 H 48.955 42.0467 5.58103 0.00664929 0.0117921 -0.00231822 36
10790 220 H 50.6782 42.1924 5.70276 0.004686 -0.00388429 -0.000369232 36
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10792 222 H 49.0222 40.3023 3.88044 -0.00755985 0.0101089 0.00908412 36
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10795 225 H 50.6488 40.7882 1.32242 -0.000820855 0.000833719 -0.00533754 36
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10801 231 H 39.1432 37.9709 35.0007 -0.0103174 0.00754667 0.00700994 36
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10809 239 H 38.7334 37.6331 38.9436 0.00257723 0.00209898 0.0011133 36
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10813 243 H 36.2346 37.1414 41.6144 -0.00264419 0.00754527 0.0116556 36
10814 244 H 38.6796 36.8218 41.6069 0.000170868 -0.00340388 0.00787486 36
10815 245 H 38.9604 38.5082 41.2123 0.00418507 -0.00650371 -0.00383207 36
10816 246 H 39.4984 37.9751 43.6063 0.00132477 -0.00544664 0.00118699 36
10817 247 H 38.2633 39.1949 43.5591 -0.00547604 -0.00328084 -0.0065576 36
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10819 249 H 37.7098 36.1883 43.9709 0.00696638 0.000789412 0.00509194 36
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10821 251 H 37.2967 38.4846 45.9587 -0.00402393 0.00219986 -0.019714 36
10822 252 H 37.0702 36.75 46.296 -0.00755151 0.00426204 -0.00101662 36
10823 253 H 43.5503 41.781 33.3693 0.00199553 0.00184509 -0.00384969 36
10824 254 H 42.6706 40.8971 34.6069 -0.000962725 0.0071542 -0.00140719 36
10825 255 H 45.1975 40.1373 35.2941 0.00764306 0.0055731 0.00155107 36
10826 256 H 45.5135 41.7158 34.4681 -0.00866202 0.000640514 -0.0111311 36
10827 257 H 44.1452 42.8377 36.1249 0.00732256 -0.00104247 -0.00338362 36
10828 258 H 43.3882 41.298 36.5821 -0.0036596 -0.000512353 -0.00464581 36
10829 259 H 45.7365 40.6229 37.5292 0.00746351 0.00677557 0.0108005 36
10830 260 H 46.1054 42.3787 37.3624 0.00484041 -0.00285594 0.000308461 36
10831 261 H 43.97 42.661 38.9488 0.00308193 0.00217723 -0.00142408 36
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10836 266 H 44.174 41.0098 41.5408 0.00690716 -0.00259716 0.00988867 36
10837 267 H 46.4246 41.1866 42.5513 -0.00233542 -0.00106162 -0.0139502 36
10838 268 H 46.3219 43.005 42.5836 -0.012313 -0.00208842 -0.0152493 36
10839 269 H 44.1778 42.6987 43.9654 0.0108417 0.00377396 -0.00106271 36
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10844 274 H 45.7424 41.652 47.3034 -0.00704902 0.0036181 0.0010892 36
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10865 295 H 43.4173 33.3369 44.1095 -0.0063638 -0.00730088 -0.00884753 36
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10874 2 C 4.53413 8.35717 78.5942 -0.00352238 -0.00185513 -0.00082657 37
10875 3 C 3.98924 7.24852 77.9569 -0.0014397 -0.000625789 -0.00474599 37
10876 4 C 3.2857 6.27897 78.6604 0.00173752 -0.00186549 -0.000427632 37
10877 5 C 3.17314 6.37238 80.0745 -0.00124905 0.00469884 0.00139536 37
10878 6 C 3.78429 7.5173 80.7362 0.00424491 -0.00292607 -0.00719349 37
10879 7 C -1.35185 4.85789 79.4126 0.00198072 0.00118202 -0.000670856 37
10880 8 C -1.19127 4.88988 78.0451 0.000958584 -0.00412379 -0.00158416 37
10881 9 C 0.0869811 5.13873 77.5417 -0.00378111 0.00128386 -0.00439808 37
10882 10 C 1.19529 5.11359 78.4159 -0.001626 0.00107266 -0.000914135 37
10883 11 C 1.02451 5.08496 79.8331 0.0036904 0.000857092 -0.00364488 37
10884 12 C -0.276601 4.9949 80.3411 -0.000221539 -0.000191737 0.00100963 37
10885 13 C 4.34729 1.72886 80.1293 0.00347526 -0.00194584 -9.71188e-05 37
10886 14 C 4.44449 1.70156 78.7302 0.00508351 0.00120554 0.00195421 37
10887 15 C 3.83862 2.70889 78.0108 -0.000869076 -0.00223134 -0.000590308 37
10888 16 C 3.26442 3.82476 78.701 -0.00101787 -0.00138072 0.00265287 37
10889 17 C 2.67429 5.05501 77.9962 0.00211284 -0.0015478 0.00102223 37
10890 18 O 3.67859 2.65677 82.2299 -0.0034855 0.00110151 0.00242409 37
10891 19 O -0.580406 4.99015 81.7122 0.00900392 0.00185335 0.000881984 37
10892 20 O 3.69292 7.72317 82.1092 0.00134996 0.000782954 0.000739402 37
10893 21 C 3.69817 2.74193 80.8525 0.00287478 0.00334025 0.000318929 37
10894 22 C 2.76276 4.96508 76.513 -0.000404324 0.00119525 0.00142867 37
10895 23 C 2.6526 4.75746 75.327 -0.000895878 0.000734489 0.000743535 37
10896 24 C 2.32352 4.38054 73.9803 -0.00137487 -0.00197582 -0.00145936 37
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11992 214 H 12.8708 13.967 56.7762 0.00958749 -0.00182948 0.0149376 40
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12019 241 H 8.3248 13.6959 89.0529 0.000616967 0.000747265 0.00912673 40
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12385 3 C 23.208 13.8899 77.8805 -0.000879381 0.000741114 -0.000274527 42
12386 4 C 22.5946 13.0201 78.8006 0.00240442 -0.00451299 0.000557823 42
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12388 6 C 23.2826 14.4019 80.6803 -0.000360431 -0.00407428 9.24916e-05 42
12389 7 C 18.1304 11.8644 80.2894 -0.00144746 -0.00401063 0.00317944 42
12390 8 C 18.1651 11.7299 78.9113 0.00152615 -0.000741749 0.00172232 42
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12396 14 C 24.0727 8.68371 79.1559 0.00387844 -0.00579882 -0.00349596 42
12397 15 C 23.3426 9.61241 78.3925 0.00216688 9.15958e-06 0.00285884 42
12398 16 C 22.6554 10.6546 79.065 -0.000579075 0.00542345 -0.00416784 42
12399 17 C 21.9012 11.7491 78.3574 -0.00347411 -0.00102576 0.00298642 42
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12404 22 C 21.8475 11.5243 76.8859 -0.0027457 -0.00456461 -0.00015528 42
12405 23 C 21.6629 11.1824 75.742 1.07381e-05 -0.00142601 -0.00221657 42
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12407 25 C 22.0803 11.3882 73.3333 -0.0032345 0.00304496 0.00333771 42
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12412 30 C 20.6282 9.48369 70.4574 0.0013112 0.000401905 0.00302126 42
12413 31 C 20.4403 9.21733 69.2776 0.00213582 0.00203389 0.000449685 42
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12425 43 C 21.6308 8.96864 67.0461 0.00368691 0.000263618 0.000130111 42
12426 44 C 22.8884 9.07134 67.6329 -0.00263979 0.000982597 -0.000136163 42
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12437 55 C 21.9686 12.0723 80.9713 0.0058726 0.00104597 0.0010276 42
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12441 59 C 21.328 7.39172 60.1448 0.00117217 -0.0030867 0.00175765 42
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12443 61 C 21.2237 7.14857 57.5004 0.00208849 -0.00407476 0.0025723 42
12444 62 C 20.9493 7.93833 56.173 -0.00376955 -0.00171235 -0.000742568 42
12445 63 C 20.7964 7.03069 54.922 0.00516823 -0.00246424 -0.00121176 42
12446 64 C 20.4743 7.86709 53.6578 -0.00531491 -0.00492484 -0.00290647 42
12447 65 C 20.5515 7.0746 52.3612 0.00125612 -0.00155448 -0.0021818 42
12448 66 C 20.3781 7.94937 51.1085 0.00277399 0.00052478 -0.00104397 42
12449 67 C 20.7377 7.19997 49.8128 -0.00429776 -0.00179813 -0.00187307 42
12450 68 C 20.8166 8.1788 48.6637 0.00182339 -0.00418541 0.00235903 42
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12453 71 C 18.3345 5.76737 61.9424 0.00151936 -0.00148441 -0.000715349 42
12454 72 C 17.2596 5.68378 60.8606 0.000950053 -0.000924511 -0.000426186 42
12455 73 C 17.8476 5.56647 59.4341 -0.00283385 0.00292982 -0.000278435 42
12456 74 C 16.8128 5.52839 58.3506 0.00356239 0.00452051 0.00147104 42
12457 75 C 17.4356 5.50598 56.9465 0.00133745 0.00098264 0.00171354 42
12458 76 C 16.4286 5.64642 55.7611 0.000966386 -0.00611603 0.00584047 42
12459 77 C 17.1197 5.76239 54.3913 0.00251849 0.00106231 0.000660765 42
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12461 79 C 16.9106 5.84155 51.8412 0.00396628 -0.000176122 0.00154057 42
12462 80 C 15.9792 5.94047 50.6181 -0.00141292 -0.0056837 0.00181159 42
12463 81 C 16.7596 5.89536 49.3736 0.00118581 -0.00167658 0.000436818 42
12464 82 C 20.0091 12.3033 63.0972 0.00147452 -0.000459556 -0.00329557 42
12465 83 C 20.594 12.0581 61.6655 -0.000278054 -0.0019242 -0.000122406 42
12466 84 C 20.918 13.4247 60.9787 -0.000271879 -0.000542538 0.00255411 42
12467 85 C 21.5198 13.3548 59.5185 -0.000937777 0.000955373 0.00242437 42
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12469 87 C 21.3691 12.8408 57.0223 -0.000214269 0.00138814 -0.00228787 42
12470 88 C 20.6607 12.1029 55.8589 0.00412141 -0.00062389 -0.00430084 42
12471 89 C 21.1198 12.6003 54.456 -0.00183674 -0.000425335 0.00140133 42
12472 90 C 20.5012 11.8195 53.2665 0.000428106 -0.00037089 -0.000838289 42
12473 91 C 21.0058 12.429 51.9647 0.000897113 -0.00334497 -0.00364238 42
12474 92 C 20.3841 11.8244 50.7156 -0.00515388 0.000330089 -0.00132794 42
12475 93 C 20.9823 12.4635 49.4353 -0.00142405 0.00232056 -0.00370487 42
12476 94 C 17.8941 12.1867 83.0549 6.55236e-05 -0.00315221 0.00385339 42
12477 95 C 17.9165 12.4604 84.5703 3.76233e-05 0.000841111 0.00208416 42
12478 96 C 16.6957 11.7666 85.2455 -0.00166549 0.00024147 0.00330158 42
12479 97 C 16.2221 12.4232 86.5912 0.00258055 -0.00595672 -0.00125872 42
12480 98 C 17.2161 12.2849 87.7637 0.00360439 -0.000904813 0.00270578 42
12481 99 C 16.5376 12.4572 89.1539 0.00308561 -0.00413401 -0.000379373 42
12482 100 C 17.4828 12.4845 90.3777 -0.000512767 0.00326121 -0.00474566 42
12483 101 C 16.7458 12.2463 91.7056 -0.00167673 0.000297263 0.00160545 42
12484 102 C 17.5804 12.4044 92.9815 0.00119736 -0.00121317 -0.00128567 42
12485 103 C 16.8076 12.1938 94.2963 0.00156633 0.00159451 0.00367963 42
12486 104 C 17.665 12.3915 95.5434 -0.00369091 -0.00250581 0.00214597 42
12487 105 C 16.796 12.3694 96.7935 0.000828792 0.000125713 -0.000764925 42
12488 106 C 23.8512 15.9982 82.5223 -0.00233569 0.000973229 0.00298336 42
12489 107 C 24.1878 16.0074 83.9937 -0.000726953 -0.000984851 -0.00314314 42
12490 108 C 24.5809 17.377 84.6113 0.000692621 -0.000207027 0.00077805 42
12491 109 C 25.0285 17.4066 86.1262 0.00375927 0.00502905 0.000653296 42
12492 110 C 23.9691 16.9017 87.0635 0.000133742 0.00320491 0.000250477 42
12493 111 C 24.1465 17.1377 88.5909 -0.000854533 0.00301363 0.00133352 42
12494 112 C 25.4623 16.6221 89.1912 -0.00506377 -0.00199012 -0.00272466 42
12495 113 C 25.7155 17.0739 90.6179 0.00146622 -0.00280017 0.00103701 42
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12497 115 C 25.2022 16.8652 93.0713 0.00547198 0.00040416 0.00616177 42
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12500 118 C 24.173 9.31888 83.4521 -0.000407775 0.000407046 -0.0026733 42
12501 119 C 23.9067 7.825 83.7437 0.00168326 0.00608727 0.000651417 42
12502 120 C 24.6823 7.19929 84.9473 -0.000924046 -0.00169982 -0.00372602 42
12503 121 C 24.3029 7.7412 86.3218 0.000999046 6.30302e-05 -0.00212167 42
12504 122 C 25.2147 7.25911 87.4267 0.00115617 0.000219771 0.000104556 42
12505 123 C 24.6556 7.82614 88.7406 0.000305983 -0.000588 -0.00146674 42
12506 124 C 25.543 7.49275 89.9577 0.0053324 0.0012934 -0.00034811 42
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12508 126 C 25.8373 7.74064 92.4599 -0.00466809 0.00120027 0.000812501 42
12509 127 C 25.1635 8.23997 93.7459 0.00110592 0.000778876 -0.000440643 42
12510 128 C 25.9269 7.97631 95.0587 0.00194142 -0.000311519 0.00399749 42
12511 129 C 25.259 8.57158 96.3172 0.000281551 0.00333012 0.00546711 42
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12532 150 H 19.9976 8.72255 64.0855 -0.00787388 -0.00716985 0.000388329 42
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12535 153 H 22.6167 6.97402 62.3654 0.0108263 0.0042345 0.0109603 42
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12540 158 H 22.2149 6.75163 60.2296 0.00473352 0.00324796 0.0122894 42
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12542 160 H 20.3892 8.76301 58.62 -0.00119166 -0.00352256 0.000696765 42
12543 161 H 20.4425 6.38903 57.6278 0.00334807 -0.00534895 0.00271475 42
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12555 173 H 20.0463 6.36572 49.6414 -0.0144281 0.00141074 0.0232193 42
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12568 186 H 16.1901 4.6403 58.5147 0.00837488 0.00101648 0.000788516 42
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12570 188 H 18.1573 6.33048 56.8936 -0.00715957 0.00773879 -0.00877567 42
12571 189 H 18.0271 4.59498 56.7927 0.00168255 0.00279067 -0.00775074 42
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12573 191 H 15.7585 6.50308 55.9042 -0.00161798 -0.00589052 -0.00755577 42
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12575 193 H 17.7667 4.88816 54.2479 0.0121642 0.00729996 0.00606822 42
12576 194 H 15.4603 5.06233 53.1966 -0.000771173 0.00338256 0.000403858 42
12577 195 H 15.5461 6.82724 53.2268 0.00779458 0.00848681 -2.85274e-05 42
12578 196 H 17.5957 6.69747 51.8037 -0.0131355 0.013407 -0.00169388 42
12579 197 H 17.4968 4.9145 51.8254 0.00428419 0.000158784 -0.00577008 42
12580 198 H 15.2769 5.09858 50.6546 -0.00247541 -0.00511496 -0.00575701 42
12581 199 H 15.3434 6.83391 50.6476 -0.00340112 -0.00643182 -0.0184667 42
12582 200 H 17.2681 4.92417 49.3339 -0.0153734 -0.010248 -0.00191778 42
12583 201 H 16.1255 5.96138 48.4808 0.00191274 -0.01094 -0.000773606 42
12584 202 H 17.5476 6.6567 49.3204 -0.00580821 0.00658032 0.0156445 42
12585 203 H 19.2363 13.0816 63.0761 0.000646218 -0.00152661 -0.0124531 42
12586 204 H 20.8128 12.6568 63.7549 0.00195505 0.0143444 -0.0118048 42
12587 205 H 21.4787 11.4133 61.7359 0.0065837 0.00876137 0.0114289 42
12588 206 H 19.8872 11.5099 61.0305 0.00769706 0.0106164 -0.0198499 42
12589 207 H 19.9808 13.9923 60.9237 -0.00612513 -0.0102726 0.00188488 42
12590 208 H 21.5264 14.0709 61.6235 0.0067404 0.00033148 -0.00495096 42
12591 209 H 21.5535 14.4037 59.1988 0.00904031 -0.00195275 -0.00600299 42
12592 210 H 22.5659 13.0386 59.6135 0.00232656 0.0141978 0.0106598 42
12593 211 H 20.9553 11.404 58.6228 -0.014697 1.26431e-06 0.0138528 42
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12595 213 H 21.3335 13.922 56.8403 -0.0164689 0.00216229 0.00558773 42
12596 214 H 22.4378 12.5951 57.0541 0.00232647 0.0127196 0.000147756 42
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12599 217 H 20.8588 13.6602 54.3468 -0.000230939 -0.000365124 -0.00186999 42
12600 218 H 22.2161 12.5936 54.4164 -0.00117642 0.0120688 0.0168313 42
12601 219 H 20.7853 10.76 53.2781 -0.00397976 -0.00162336 -0.00667653 42
12602 220 H 19.405 11.8594 53.2529 0.000113995 -0.00497666 0.012183 42
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12605 223 H 20.6222 10.7536 50.7001 0.0111412 0.00404836 -0.0080896 42
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12608 226 H 20.5396 12.0212 48.5343 0.00460485 -0.00583201 -0.00266151 42
12609 227 H 20.7932 13.5417 49.3642 -0.00410402 0.00148826 -0.00932283 42
12610 228 H 17.3717 13.0495 82.6235 -0.000484515 -0.00516001 0.000515525 42
12611 229 H 17.3069 11.2879 82.8297 0.00151168 -0.00263585 -0.00198389 42
12612 230 H 18.8153 11.9834 84.9803 -0.0032552 -0.00508946 0.00244241 42
12613 231 H 17.9249 13.5398 84.7659 0.0019072 0.00288586 -0.00928102 42
12614 232 H 15.8312 11.7336 84.5709 0.00671715 -0.0143672 -0.00670895 42
12615 233 H 17.0632 10.7499 85.4317 -0.00263506 -0.000781976 -0.000383765 42
12616 234 H 15.9726 13.4795 86.4318 -0.0218726 -0.00923881 0.0151968 42
12617 235 H 15.2994 11.9408 86.9368 -0.00138923 -0.00115313 -0.00515515 42
12618 236 H 17.7829 11.3472 87.7109 0.00421869 -0.000567268 0.00328701 42
12619 237 H 17.9588 13.0755 87.6001 -0.00656628 0.0073065 -0.00385598 42
12620 238 H 15.9054 13.3536 89.1358 0.0146647 0.00386184 -0.00815463 42
12621 239 H 15.8045 11.6454 89.2369 -0.00525559 0.00370386 0.00275794 42
12622 240 H 18.2361 11.6968 90.2533 0.00206402 0.00322833 0.0111127 42
12623 241 H 17.9654 13.4671 90.4482 0.00610213 -0.00123378 0.0126567 42
12624 242 H 15.9433 12.991 91.7747 -0.000608626 0.000204905 0.0150412 42
12625 243 H 16.2365 11.2755 91.666 -0.00481969 0.00244748 -0.0111148 42
12626 244 H 18.4077 11.6844 92.9565 0.000768467 -0.00197727 0.00642885 42
12627 245 H 18.0643 13.3888 92.9922 0.00286247 -0.00212397 0.00731764 42
12628 246 H 15.9643 12.8953 94.3036 0.00455157 0.0052013 0.00176964 42
12629 247 H 16.3478 11.2005 94.3699 -0.000887454 0.00336712 0.0125411 42
12630 248 H 18.4611 11.6393 95.6052 -0.00476981 -0.00456672 -0.00907413 42
12631 249 H 18.1831 13.3569 95.4896 -0.00530161 -0.00146852 0.0052982 42
12632 250 H 17.4414 12.4529 97.6765 -0.00455067 -0.00286762 0.00345031 42
12633 251 H 16.1094 13.224 96.836 0.00677109 0.00540938 -0.0113074 42
12634 252 H 16.1959 11.46 96.921 -0.00404475 0.00233767 -0.00799561 42
12635 253 H 24.7312 16.3845 81.9933 0.000896146 -0.0112181 -0.000523172 42
12636 254 H 23.0364 16.7042 82.3199 0.00454318 0.00631583 -0.00612729 42
12637 255 H 23.2762 15.7225 84.5332 0.0014566 0.00824708 0.00545466 42
12638 256 H 24.972 15.2671 84.1948 0.00679649 0.00679672 -0.00378206 42
12639 257 H 25.4005 17.8343 84.0434 0.00275726 -0.00651167 -0.00131617 42
12640 258 H 23.7371 18.068 84.4931 -0.00589891 -0.00691731 0.00857044 42
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12643 261 H 22.9877 17.2922 86.7671 1.82451e-05 0.00277199 6.4029e-05 42
12644 262 H 23.9943 15.8098 86.9617 0.00470196 0.00235662 0.0102299 42
12645 263 H 24.1243 18.2241 88.7411 -0.00925303 0.000832052 0.01577 42
12646 264 H 23.334 16.7051 89.1876 -0.00113926 -0.0119034 -0.00990374 42
12647 265 H 25.5111 15.5286 89.1191 0.00522198 -0.00164243 -0.00110012 42
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12649 267 H 26.6959 16.733 90.9731 0.00237784 -0.00476705 -0.00339585 42
12650 268 H 25.764 18.1696 90.5959 0.0127397 -0.00305961 0.0134374 42
12651 269 H 23.7579 17.2649 91.4836 0.00140208 0.00664445 0.0057846 42
12652 270 H 24.3777 15.6243 91.4984 -0.0212617 0.00596993 0.0125264 42
12653 271 H 26.1688 16.3501 93.1321 0.00272099 -0.00428609 0.0100671 42
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12655 273 H 23.4061 16.981 94.2392 -0.00746269 -0.0102158 0.0125121 42
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12657 275 H 24.5892 16.0654 96.3338 0.00194532 0.00212004 0.00444606 42
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12660 278 H 25.1672 9.45487 83.009 0.00629703 -0.00630971 0.0102843 42
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12664 282 H 25.7664 7.27213 84.7957 0.00261466 -0.0051658 0.019965 42
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12667 285 H 24.4083 8.83132 86.259 -0.00327621 0.00118812 0.0105783 42
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12669 287 H 25.2592 6.16304 87.4347 0.00766073 0.000422531 -0.00771374 42
12670 288 H 23.622 7.49318 88.8961 0.0037986 -0.00508403 0.0120989 42
12671 289 H 24.6702 8.92019 88.6616 -0.00165622 0.000332148 0.0108948 42
12672 290 H 26.5289 7.9571 89.832 0.00346608 0.006892 0.00565055 42
12673 291 H 25.6857 6.40784 90.0352 0.0116667 0.00236145 0.00294328 42
12674 292 H 24.0378 7.40282 91.5135 0.00293852 0.00213302 0.0145321 42
12675 293 H 24.6564 9.06705 91.2044 0.00582429 -0.00130182 0.00970638 42
12676 294 H 26.8254 8.20052 92.3351 -0.000873665 -0.00537759 0.00647258 42
12677 295 H 26.1028 6.6778 92.5177 0.00803792 0.00420477 -0.00169108 42
12678 296 H 24.2012 7.714 93.7741 -0.00404119 0.00934172 -0.015453 42
12679 297 H 24.8928 9.29493 93.6147 0.0149516 0.00630563 0.0157688 42
12680 298 H 26.9433 8.38871 95.0756 -0.00031111 0.00572277 -0.0101689 42
12681 299 H 26.0223 6.89547 95.2203 -0.00689098 1.54027e-05 0.0114531 42
12682 300 H 24.2667 8.113 96.4092 -0.00258143 0.00880018 0.00189564 42
12683 301 H 25.1522 9.65628 96.1931 -0.000338919 0.00367341 0.00903166 42
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12685 1 C 27.8606 8.5273 80.7055 -0.00785155 0.00191628 -0.00136299 43
12686 2 C 27.9239 8.40683 79.3268 -0.00018099 -0.000670633 0.00428688 43
12687 3 C 27.3828 7.30908 78.6664 -0.000213446 0.000782179 0.00184561 43
12688 4 C 26.721 6.32975 79.4213 -0.00405749 -0.00243861 0.00437004 43
12689 5 C 26.5977 6.45542 80.8339 -0.00137123 0.00120441 0.000928089 43
12690 6 C 27.1421 7.60431 81.5057 0.000143724 0.000715138 0.000433908 43
12691 7 C 22.0391 5.25924 80.4998 0.00297712 -0.00413048 0.00304815 43
12692 8 C 22.2015 5.24035 79.1187 -0.00330521 0.000409235 0.0024574 43
12693 9 C 23.4444 5.15838 78.5077 0.00485338 -0.000788616 0.00259312 43
12694 10 C 24.5861 5.16854 79.3434 -0.00213832 0.00243089 0.000231736 43
12695 11 C 24.4474 5.19452 80.7493 -0.00154748 -0.00126554 0.00624498 43
12696 12 C 23.1516 5.20611 81.3431 0.00246539 0.000137808 0.00114736 43
12697 13 C 27.6682 1.75284 81.0677 0.0013658 0.00330345 0.00511984 43
12698 14 C 27.7162 1.67887 79.6712 0.000859033 0.00121059 0.00245373 43
12699 15 C 27.1926 2.70881 78.9054 -0.000200723 0.00038313 -0.00391481 43
12700 16 C 26.6498 3.85817 79.5173 -0.00148316 -0.00173724 0.00367249 43
12701 17 C 26.0321 5.09651 78.8036 0.000442585 0.000645344 -0.00188703 43
12702 18 O 27.1333 3.03656 83.081 0.00038665 0.00188577 0.00186236 43
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12990 4 C 30.6611 13.0105 78.6405 0.00428699 0.0022536 -0.00589642 44
12991 5 C 30.5989 13.1084 80.05 -0.00145319 -0.000933498 0.00623905 44
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12993 7 C 25.9846 11.8886 79.6827 -0.000122141 0.00386515 -0.00281213 44
12994 8 C 26.106 11.6615 78.2937 -0.000884006 0.00304517 0.00155872 44
12995 9 C 27.3969 11.6389 77.7736 0.00124275 0.00496694 0.00455678 44
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13000 14 C 32.0351 8.63109 78.8998 -0.00359622 0.00205108 0.000645776 44
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13009 23 C 30.0334 11.2726 75.488 0.00238471 0.00649943 0.00242251 44
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13012 26 C 30.0173 9.26138 72.3492 -0.00537617 -0.000643725 -0.00157819 44
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13015 29 C 28.7185 11.4915 73.5004 0.00199205 0.00228541 0.00105716 44
13016 30 C 28.4567 9.38272 70.4349 -0.00031144 -0.00336521 0.00211559 44
13017 31 C 28.2212 9.0922 69.2822 0.00206447 0.0021387 0.00167181 44
13018 32 C 25.837 5.79679 67.623 -0.00109316 0.0031636 0.00369391 44
13019 33 C 25.7816 5.66654 66.2248 0.00554969 3.05445e-05 0.00277729 44
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13024 38 C 28.0356 8.95005 67.8382 0.00105822 -0.0013066 0.00115663 44
13025 39 C 31.7649 8.94454 66.7777 -0.00367061 0.00102959 -0.000575338 44
13026 40 C 31.5941 8.84403 65.4028 -0.0003799 -0.000170865 -3.59887e-05 44
13027 41 C 30.3299 8.68921 64.8543 -0.00512911 0.00307418 0.000509305 44
13028 42 C 29.2051 8.75189 65.6907 -0.00295467 -0.00180546 0.00417196 44
13029 43 C 29.3723 8.8275 67.0707 -0.0020647 0.00207472 0.00220408 44
13030 44 C 30.658 8.86046 67.6089 -0.00461566 0.00237267 0.00223862 44
13031 45 C 26.4729 12.4712 67.2047 -0.000129787 0.00194362 0.00578039 44
13032 46 C 26.3468 12.4366 65.8046 0.000394484 0.00411666 0.00194828 44
13033 47 C 26.7676 11.2841 65.1165 -0.000376018 0.000482396 -0.00384323 44
13034 48 C 27.2607 10.1401 65.8232 -0.00345459 -0.00206392 0.00171818 44
13035 49 C 27.7675 8.83027 65.2392 0.00238064 -0.00523219 0.00120601 44
13036 50 C 27.3822 10.1996 67.2063 -0.00198227 0.00238805 0.0027036 44
13037 51 C 26.9514 11.3603 67.8743 0.00661542 3.9272e-05 0.0033809 44
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13041 55 C 29.7997 11.9226 80.713 0.00205702 0.000513215 0.00180467 44
13042 56 C 30.5883 10.661 80.2108 0.00234732 0.00127217 -0.00246905 44
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13044 58 C 29.835 7.37503 61.4467 0.00624176 8.58156e-05 -0.00181369 44
13045 59 C 28.9891 8.36887 60.6176 -0.00122895 0.000965796 0.00305516 44
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13047 61 C 28.5179 8.7111 58.0394 0.00208908 0.00359079 -5.45473e-05 44
13048 62 C 28.6453 7.9847 56.6787 0.000807023 -0.00234878 0.00269327 44
13049 63 C 28.3142 8.71832 55.3631 -0.00169683 -0.00193666 -0.00184456 44
13050 64 C 28.4573 7.80541 54.1241 -0.000499102 0.00366051 0.00425447 44
13051 65 C 28.1045 8.43947 52.7608 0.00197767 -0.00330597 0.00232275 44
13052 66 C 28.0844 7.30319 51.6754 0.0069277 0.00175278 0.000777833 44
13053 67 C 27.7838 7.72466 50.2439 -0.0019974 0.000119391 -0.00101211 44
13054 68 C 28.9017 8.50742 49.5269 0.000567601 -0.00325691 0.000547191 44
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13056 70 C 25.6415 7.04052 63.0883 -0.00400958 0.00217145 -0.00026622 44
13057 71 C 25.6691 6.32367 61.6943 0.000671657 -0.00238628 0.00373119 44
13058 72 C 25.0901 7.25029 60.5959 0.00261196 -0.00326775 0.00430633 44
13059 73 C 24.6094 6.55524 59.3628 -0.000703353 -0.000909923 0.000407827 44
13060 74 C 25.7235 6.06528 58.4378 -0.00138237 -0.000562908 0.000960619 44
13061 75 C 25.2 5.29113 57.1983 0.00134938 -0.00140954 0.00222551 44
13062 76 C 24.9375 6.15636 55.9694 0.000463782 -0.00603283 0.00169676 44
13063 77 C 24.5574 5.27051 54.752 0.00131398 -0.00179682 -0.000222238 44
13064 78 C 24.526 5.9889 53.3967 0.00278606 -0.00332009 0.00196713 44
13065 79 C 24.543 4.99125 52.2321 -0.000454558 -0.00360057 0.0029919 44
13066 80 C 24.6482 5.72162 50.8624 -0.00274596 -0.00366648 -0.00388429 44
13067 81 C 24.91 4.76689 49.6736 0.000354065 -0.000343458 -0.0033589 44
13068 82 C 28.3003 11.5645 63.3348 -0.00355923 0.0026281 -0.00145305 44
13069 83 C 28.4064 11.7006 61.8024 -0.00135015 -0.000279815 0.00375931 44
13070 84 C 28.1364 13.1392 61.3379 0.00360053 -0.000133114 -0.00195754 44
13071 85 C 28.594 13.4528 59.9046 0.000252754 -2.72371e-05 0.000273586 44
13072 86 C 27.8712 12.6646 58.7705 0.00394265 0.00410938 0.0047411 44
13073 87 C 28.5111 13.1425 57.4625 0.00123779 0.00101092 0.00501337 44
13074 88 C 27.9095 12.667 56.1433 0.00298071 -0.000936879 -0.00517497 44
13075 89 C 28.6745 13.3541 54.9913 -0.000159078 -0.000515435 0.000767571 44
13076 90 C 27.9701 13.3073 53.6208 -0.00302134 0.000954491 0.00475699 44
13077 91 C 28.0652 11.925 53.0327 -0.00071715 0.00288201 -0.00115988 44
13078 92 C 27.6231 11.8944 51.5435 0.000277208 0.00273317 -0.00179917 44
13079 93 C 28.714 12.377 50.5462 -0.00132396 -0.00109832 -7.17069e-06 44
13080 94 C 25.7655 12.5666 82.5217 -0.00304895 0.00414147 0.00292611 44
13081 95 C 25.8398 12.299 84.0437 -0.00526273 -2.24849e-05 -0.000851958 44
13082 96 C 24.5338 12.4695 84.8509 0.000163636 0.00294474 -0.00355675 44
13083 97 C 24.5234 11.7679 86.2203 -0.000675089 0.000289656 0.000731331 44
13084 98 C 25.0094 12.6256 87.3906 -0.000929182 0.0017104 -0.00219255 44
13085 99 C 24.5401 11.9845 88.6583 0.000843576 0.00593654 0.00254739 44
13086 100 C 24.6787 12.8053 89.9549 -0.00271308 -0.00183373 -0.000768739 44
13087 101 C 26.1348 12.8772 90.4777 0.00252114 -0.00383888 0.000104828 44
13088 102 C 26.2884 13.1231 91.9819 0.000652938 7.83659e-05 -0.00172717 44
13089 103 C 25.7647 11.9351 92.86 0.00191624 0.00271159 0.000774195 44
13090 104 C 26.2894 12.0304 94.2798 0.00152416 -0.00324234 -0.00531907 44
13091 105 C 25.6975 13.215 95.0695 -0.00225885 -0.00440884 -0.000838205 44
13092 106 C 32.2909 14.8864 82.7645 -0.00136371 -0.0027027 0.000151604 44
13093 107 C 32.1322 16.3964 83.027 0.00233004 -0.00357207 0.00361308 44
13094 108 C 32.6307 16.9434 84.4044 -0.000969383 0.000351348 0.00192466 44
13095 109 C 32.236 16.2119 85.6957 0.000308069 0.000695978 0.00290386 44
13096 110 C 32.7055 16.8551 87.0253 0.00309669 -0.000652378 0.00340368 44
13097 111 C 34.1052 16.395 87.4863 -0.000438269 0.00121682 0.00123718 44
13098 112 C 34.4924 17.0003 88.8742 -0.000406884 -0.00308932 0.00341682 44
13099 113 C 33.642 16.4823 90.049 0.00122016 -0.00405371 -0.00371604 44
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13101 115 C 33.4616 16.5292 92.629 -0.0018079 0.00137835 -0.00377067 44
13102 116 C 34.3053 16.8086 93.8902 0.001911 0.00236439 -0.00176328 44
13103 117 C 33.5293 16.8494 95.2334 0.0037305 0.00240635 0.00129254 44
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13105 119 C 31.119 8.36356 84.4888 -0.00207275 0.0036341 0.00303279 44
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13107 121 C 31.5171 7.01703 86.6305 0.00405704 0.00156384 0.00130694 44
13108 122 C 32.3911 7.03063 87.8954 -0.00321887 -0.00381715 -0.00247263 44
13109 123 C 32.2801 8.3176 88.7192 0.00230373 -0.000768672 0.00542624 44
13110 124 C 31.6212 8.16655 90.0972 -0.00560894 -0.000344926 -0.000393497 44
13111 125 C 32.5519 7.50077 91.1311 0.000711905 -0.00106084 3.78764e-06 44
13112 126 C 32.2207 7.94965 92.5291 -0.00659433 0.00165414 0.000265251 44
13113 127 C 33.17 7.33029 93.5703 0.000316615 -0.00238349 0.00204359 44
13114 128 C 32.9188 7.7774 95.0078 0.00256194 -0.000759709 0.000819938 44
13115 129 C 33.7631 6.96453 96.0174 0.0041543 -0.00281653 -0.00157546 44
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13210 224 H 26.7451 12.5304 51.3757 0.00544484 0.0117171 0.00521945 44
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13213 227 H 28.3442 12.1769 49.533 -0.004256 0.00128183 0.000591522 44
13214 228 H 25.6312 13.6324 82.2992 0.0101054 0.00586346 0.00318905 44
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13216 230 H 26.1777 11.2618 84.1597 0.0152161 0.00644336 -0.00248993 44
13217 231 H 26.627 12.9293 84.4756 -0.0035614 -0.003264 0.000775532 44
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13219 233 H 23.7035 12.0752 84.2522 0.00160438 -0.0129011 0.00490146 44
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13224 238 H 23.4802 11.7493 88.5007 0.00152938 0.00242347 0.00319362 44
13225 239 H 25.0893 11.0538 88.8471 -0.00840674 0.00306646 0.0154119 44
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13232 246 H 24.6717 11.9566 92.9505 0.00235549 0.00528724 0.00558555 44
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13237 251 H 26.0124 14.1847 94.6647 -0.00432379 -0.00447587 -0.00260082 44
13238 252 H 24.6109 13.082 94.9993 -0.00189908 -0.0118688 0.00754893 44
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13240 254 H 33.2585 14.6758 82.2925 0.00166885 0.00167247 0.0044031 44
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13253 267 H 32.624 16.8753 89.9371 -0.00359546 -0.0111767 0.0152488 44
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13255 269 H 35.2393 16.5929 91.5565 -0.00417382 -0.00889265 0.00638101 44
13256 270 H 34.3427 18.0815 91.3852 -0.00285998 0.00214256 0.00390561 44
13257 271 H 32.5555 17.1376 92.7393 -0.00545605 -0.00597437 0.00688522 44
13258 272 H 33.1588 15.4761 92.5768 0.00807763 -0.00230145 0.0131566 44
13259 273 H 35.0326 15.9964 94.0109 0.00638566 0.00714005 0.00343619 44
13260 274 H 34.888 17.7345 93.8093 0.00113358 0.00304346 0.000373159 44
13261 275 H 34.1943 17.039 96.0849 -0.00756251 0.0173853 0.00681806 44
13262 276 H 32.8267 17.6917 95.2481 -0.00460106 -0.00456436 0.00214381 44
13263 277 H 32.9409 15.9351 95.3794 0.00525311 0.00232051 0.00684417 44
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13265 279 H 32.7527 8.66272 83.0656 0.00131046 -0.0122249 0.00188447 44
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13267 281 H 30.8899 9.34529 84.9213 0.0176648 0.00871468 0.00200617 44
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13269 283 H 32.7565 6.9722 84.8665 -0.00190279 -0.00156514 -0.00148878 44
13270 284 H 31.3996 5.95513 86.3816 0.000749447 0.000474399 0.00747274 44
13271 285 H 30.5246 7.43431 86.8408 0.00762514 0.00466915 0.0119708 44
13272 286 H 33.4589 6.89347 87.6848 -0.00110144 -0.00281441 0.00750941 44
13273 287 H 32.1152 6.18131 88.5325 0.00049926 0.00419316 0.00983103 44
13274 288 H 31.7696 9.08713 88.127 0.00971613 0.00151718 0.00198796 44
13275 289 H 33.3156 8.67574 88.7739 0.00362913 -0.00270273 -0.00632825 44
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13277 291 H 31.3168 9.15184 90.4713 0.00844255 0.00233744 0.00396138 44
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13280 294 H 31.1794 7.64838 92.6978 -0.00359403 -0.00433242 0.00800423 44
13281 295 H 32.2425 9.04495 92.5861 -0.00984778 0.00129629 0.00846576 44
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13290 2 C 35.9956 8.18703 78.3803 0.00130561 -0.00454601 -0.00147979 45
13291 3 C 35.3839 7.10793 77.6828 0.00434711 0.00158567 0.00219595 45
13292 4 C 34.6273 6.18018 78.4067 0.00246651 -0.00182752 -0.000348123 45
13293 5 C 34.5442 6.27019 79.8276 0.00464496 -0.00112174 0.00126478 45
13294 6 C 35.1416 7.35608 80.5305 0.00410592 -0.00647295 -0.00282714 45
13295 7 C 29.9721 5.0587 79.6684 -0.000474092 -0.00183305 -0.00514676 45
13296 8 C 30.0414 5.11181 78.2963 0.0016418 -0.000171541 -0.00255702 45
13297 9 C 31.3015 5.17328 77.6815 -0.00300245 0.000948611 -0.00172457 45
13298 10 C 32.4556 5.12866 78.4296 -0.00234932 -0.00534662 -0.00114651 45
13299 11 C 32.3867 5.10736 79.8339 -0.00152961 -0.00262326 0.0039057 45
13300 12 C 31.1158 5.13634 80.4812 0.00131862 0.000746765 -0.000795064 45
13301 13 C 35.6074 1.67725 80.0172 -0.00343138 -0.0074687 0.00198983 45
13302 14 C 35.7222 1.69592 78.651 0.00126235 0.00181276 -0.00246866 45
13303 15 C 35.1814 2.74951 77.9409 0.00187412 -0.00211911 0.00184708 45
13304 16 C 34.4673 3.76613 78.589 0.00193491 0.00130729 0.00321025 45
13305 17 C 33.8781 4.97855 77.8448 0.00112583 -0.000716071 -4.14924e-05 45
13306 18 O 35.0095 2.70355 82.1153 0.0013813 -0.000987458 -0.00162224 45
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13309 21 C 34.9685 2.71618 80.7222 0.000609737 0.00118317 0.00377057 45
13310 22 C 33.9476 4.83707 76.3923 -0.000449545 -0.000383464 0.00188701 45
13311 23 C 33.8109 4.53303 75.2364 0.00177324 -0.000911348 0.00197016 45
13312 24 C 33.4675 4.12759 73.8794 -9.31655e-05 -0.00117754 -0.0041279 45
13313 25 C 32.4055 4.75077 73.2248 0.00184458 -0.00200471 0.00232709 45
13314 26 C 31.933 4.24388 72.0002 0.00253939 -0.00183884 -0.00617534 45
13315 27 C 32.5507 3.10835 71.4374 0.0041479 -0.00108767 -0.000645783 45
13316 28 C 33.6734 2.51919 72.0476 -0.00621416 -0.00223409 0.00148701 45
13317 29 C 34.1041 3.02935 73.2543 0.000152638 0.000894095 -0.000641056 45
13318 30 C 32.1335 2.59971 70.194 -0.00134649 -0.00163966 0.00353994 45
13319 31 C 31.9193 2.30445 69.0477 -0.00221073 -0.00281636 -0.006789 45
13320 32 C 30.0002 -1.15758 67.0581 0.000535022 -0.000857271 0.00259776 45
13321 33 C 30.0476 -1.24145 65.6895 0.00181503 0.00350058 0.00143691 45
13322 34 C 30.7317 -0.309152 64.9172 -0.00303191 4.65457e-05 -0.00368547 45
13323 35 C 31.1998 0.857996 65.6053 -0.00202906 -0.00476361 0.000247651 45
13324 36 C 31.1513 0.933822 67.0005 0.00117646 0.00128177 0.00275856 45
13325 37 C 30.6135 -0.127095 67.7156 0.000781505 -0.00837453 -0.00130697 45
13326 38 C 31.8122 2.1841 67.5904 -0.00442822 0.00130264 7.29276e-05 45
13327 39 C 35.6761 2.16459 66.8898 -0.00194114 -0.000539575 0.00509606 45
13328 40 C 35.6453 2.06276 65.4833 -0.00321867 -0.00287288 0.000449047 45
13329 41 C 34.4069 2.08693 64.8159 -0.0011165 0.000817786 -0.00209626 45
13330 42 C 33.2242 2.17842 65.5705 -6.11047e-06 0.00113499 -0.000354518 45
13331 43 C 33.2413 2.1746 66.9677 -0.00199694 0.00317306 0.000574846 45
13332 44 C 34.4981 2.23618 67.6125 0.00361609 -0.000286642 0.00171866 45
13333 45 C 29.6405 5.31796 66.79 -0.00703011 -0.00138869 -0.000173639 45
13334 46 C 29.5652 5.17944 65.3849 0.00396226 -0.00285343 0.00312087 45
13335 47 C 30.3058 4.16142 64.7409 0.00252178 -0.0012514 0.00319555 45
13336 48 C 31.0804 3.26714 65.5104 0.00323169 -0.00137474 -0.000627468 45
13337 49 C 31.8484 2.07712 64.9437 0.00385173 0.000653596 -0.00452597 45
13338 50 C 31.0936 3.36375 66.9201 -0.00108484 0.00255973 -0.00214375 45
13339 51 C 30.3633 4.3758 67.5646 0.00352806 -0.00085703 -0.000150718 45
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13344 56 C 34.4075 3.78233 79.9792 -0.00367606 -0.00416467 0.00391799 45
13345 57 C 34.9385 0.864219 62.7824 0.00116391 -0.00305026 -0.00343497 45
13346 58 C 35.1261 1.2355 61.3433 0.00241359 -0.00447381 -0.00148621 45
13347 59 C 33.9086 1.21164 60.4159 0.00302 -0.00404547 0.00131633 45
13348 60 C 34.2235 1.79806 59.0394 0.00220251 -0.000414462 0.00476592 45
13349 61 C 33.1716 1.37727 57.9736 0.00124708 0.00164034 0.000939236 45
13350 62 C 33.4558 1.97272 56.5878 0.00330631 -0.00151487 0.00134108 45
13351 63 C 32.6365 1.27557 55.516 0.0023492 -0.00167826 -0.000224845 45
13352 64 C 32.7029 1.87779 54.1465 0.00133794 -0.00458074 -0.00397299 45
13353 65 C 31.7015 1.09107 53.3139 0.00185628 -0.00229106 -0.000164909 45
13354 66 C 31.6328 1.52374 51.8538 -0.00252834 -0.000912136 -0.00209372 45
13355 67 C 32.7265 0.915412 50.9654 -0.00138482 -0.00164016 0.00130813 45
13356 68 C 32.4977 1.21894 49.4989 0.00136269 -0.00154457 0.000544348 45
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13358 70 C 31.0172 -1.76083 62.9678 -0.000122342 0.00142934 0.00277621 45
13359 71 C 31.8977 -1.76822 61.6934 0.000331985 -0.00323322 -0.00160799 45
13360 72 C 31.1557 -1.6037 60.3103 0.00299732 0.0035079 0.00266938 45
13361 73 C 31.8589 -2.33382 59.1457 0.0041249 0.00250328 0.00477628 45
13362 74 C 31.3288 -2.11405 57.6781 -0.00739251 0.00190292 0.00514646 45
13363 75 C 32.0001 -3.03812 56.589 -0.000869549 0.00102091 0.00130795 45
13364 76 C 31.6734 -2.64018 55.1277 -0.000411045 -0.00121735 0.00148792 45
13365 77 C 32.3648 -3.5592 54.0895 -0.00352033 0.00314783 -0.000955133 45
13366 78 C 32.1065 -3.06153 52.6717 -0.00334116 0.00326815 0.00181626 45
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13368 80 C 32.8459 -3.28102 50.1919 -0.00184926 0.000545257 0.00263689 45
13369 81 C 31.7637 -4.07976 49.4028 -0.00302629 0.00090643 -0.00170336 45
13370 82 C 29.4594 3.15568 62.7115 -0.00328186 0.00232092 -0.000439709 45
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13372 84 C 30.4129 3.45497 60.2766 -0.00140872 0.00162941 7.69833e-05 45
13373 85 C 29.0815 3.60048 59.4717 -0.00232684 0.00199761 -0.00380794 45
13374 86 C 29.3034 4.22916 58.0957 0.000361727 0.00231502 -0.000222465 45
13375 87 C 29.8984 3.31241 57.0173 -0.00119846 0.00244349 0.0028693 45
13376 88 C 28.9887 2.95643 55.854 -4.08568e-05 -0.00381068 -0.00311265 45
13377 89 C 28.5983 4.19928 54.9947 -0.000397932 -0.00432722 0.00117785 45
13378 90 C 27.7777 3.89096 53.7106 -0.000837172 -0.000265044 -0.000746018 45
13379 91 C 28.6688 3.32032 52.5581 0.000162409 -0.00247632 -0.00179758 45
13380 92 C 28.0421 3.43922 51.171 0.00097346 0.00313724 0.00063569 45
13381 93 C 28.932 2.95911 50.0056 0.00245693 -0.00422272 -0.000406683 45
13382 94 C 29.6867 5.43892 82.4379 -0.00171385 0.00155055 -0.000754781 45
13383 95 C 29.6302 5.10719 83.9633 -0.000802869 -0.00359637 -0.00455717 45
13384 96 C 28.2833 5.53266 84.5397 0.00543732 -0.00206158 -0.00185143 45
13385 97 C 27.8849 4.85703 85.8758 0.0023172 0.00488935 -0.00188725 45
13386 98 C 28.5414 5.50233 87.0756 0.00262148 -0.00254681 0.00359749 45
13387 99 C 28.0068 4.95083 88.3722 -0.00229188 0.00105675 -0.000363161 45
13388 100 C 28.6878 5.62932 89.5675 0.000897274 -0.00166514 0.00072596 45
13389 101 C 28.3303 4.95373 90.9185 0.00339275 0.00996931 0.00476674 45
13390 102 C 29.0672 5.57531 92.1317 -0.0010651 -0.000374391 -0.000778678 45
13391 103 C 28.6925 4.93148 93.4725 -0.00185507 -0.000646342 0.00116668 45
13392 104 C 29.4904 5.57614 94.6398 0.000737093 0.000701735 0.000121436 45
13393 105 C 28.8375 5.18147 96.016 0.00237883 0.000381691 -0.0010327 45
13394 106 C 35.482 8.76231 82.5649 -0.00414143 0.00579925 0.00368011 45
13395 107 C 35.0701 8.83366 84.0698 -0.00508639 0.00123212 -0.00136907 45
13396 108 C 36.2413 9.17351 85.0505 -0.00533434 0.00171234 0.00251122 45
13397 109 C 35.7571 9.586 86.4715 0.00116843 -0.00221568 -0.00460031 45
13398 110 C 36.8752 9.426 87.5438 -0.0049106 0.00244343 0.000720969 45
13399 111 C 36.3615 9.88653 88.9006 0.00186236 -0.00126326 0.00211912 45
13400 112 C 37.2563 9.50903 90.1142 0.00367603 0.00192164 -0.00104881 45
13401 113 C 36.4779 9.7897 91.4192 0.00445483 -0.00121436 -0.00244729 45
13402 114 C 37.2237 9.46511 92.7329 -0.000321023 -0.000520927 0.00143069 45
13403 115 C 36.3167 9.91032 93.8856 0.00800915 0.00449698 0.00277043 45
13404 116 C 36.8205 9.53508 95.323 -0.000310512 -0.00155941 -0.00546261 45
13405 117 C 35.8045 10.107 96.4019 -0.00273767 0.000515072 0.00227464 45
13406 118 C 35.5663 1.57607 82.8471 -0.00492744 0.00386812 -0.00325672 45
13407 119 C 35.9604 1.85465 84.2676 -0.00294786 0.00158854 -0.00294209 45
13408 120 C 36.5804 0.654366 84.9935 0.00475164 -0.00361709 7.74534e-06 45
13409 121 C 37.0027 1.00905 86.435 -0.000137857 -0.000815346 0.0025173 45
13410 122 C 35.9726 0.652831 87.5172 0.00186891 0.00320467 0.00219372 45
13411 123 C 36.6538 0.881002 88.8732 -0.00227667 0.00192272 0.00352588 45
13412 124 C 35.7861 0.474167 90.0395 0.00170306 0.00330749 -0.00272679 45
13413 125 C 36.6052 0.605692 91.3561 0.00142595 -0.00200451 -0.00133741 45
13414 126 C 35.7864 0.133743 92.5438 0.000776689 0.000195756 -0.00179472 45
13415 127 C 36.5582 0.334429 93.8476 -0.000613084 0.000127912 0.00014778 45
13416 128 C 35.8598 -0.173847 95.1248 -0.0014399 0.000623731 0.000211973 45
13417 129 C 36.4863 0.47345 96.3803 -0.000242135 -0.00224286 0.00104592 45
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13437 149 H 28.9139 5.85203 64.8346 -0.0149791 -0.0105136 0.0161634 45
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13439 151 H 30.3233 4.46005 68.6466 -0.0125297 -0.0114549 7.957e-05 45
13440 152 H 33.6883 5.10585 81.6017 -0.0045062 0.00539731 -0.00181863 45
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13446 158 H 33.5455 0.185111 60.2823 0.00335372 -0.00434124 0.00267868 45
13447 159 H 35.2153 1.51478 58.6657 0.000252553 -0.00862832 0.00583091 45
13448 160 H 34.1964 2.89187 59.1185 0.0214616 -0.000246832 0.00886359 45
13449 161 H 32.1658 1.61271 58.3426 -0.00361823 0.000971206 -0.0119409 45
13450 162 H 33.1688 0.29351 57.8037 0.00109288 0.00218732 -0.00259917 45
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13463 175 H 33.325 0.872282 48.8673 0.00287037 0.014531 -0.00632142 45
13464 176 H 32.4285 2.30544 49.3642 0.00285398 -0.002592 -0.00866951 45
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13474 186 H 30.2686 -2.39328 57.6408 -0.00642091 -0.00164003 0.0039163 45
13475 187 H 31.4051 -1.05627 57.3976 0.00472291 -0.00575261 -0.0204161 45
13476 188 H 33.0865 -2.98816 56.733 0.00140919 0.00122762 -0.0160388 45
13477 189 H 31.7028 -4.07195 56.804 0.0030415 -0.000473385 -0.000480621 45
13478 190 H 30.5869 -2.65024 54.9763 -5.14143e-05 -0.00233817 -0.00101874 45
13479 191 H 32.0534 -1.61848 55.0047 0.00696768 -0.0049159 -0.00644348 45
13480 192 H 33.4393 -3.57001 54.3103 -0.00335594 -0.0123531 -0.00251284 45
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13482 194 H 31.0569 -3.2403 52.4078 -0.00244295 -0.00423945 0.00333301 45
13483 195 H 32.2466 -1.97827 52.57 -0.0106683 0.00333007 -0.0078377 45
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13485 197 H 32.8502 -4.85218 51.6459 -0.0094216 0.00192833 -0.0132107 45
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13487 199 H 33.8334 -3.30094 49.7146 -0.00862858 -0.0112785 -0.0107711 45
13488 200 H 30.7704 -3.88609 49.8262 -0.00302409 -0.00953936 0.00309583 45
13489 201 H 31.7609 -3.81482 48.3382 0.000152387 -0.0158977 -0.00590436 45
13490 202 H 31.9275 -5.16135 49.4847 -0.0106105 -0.00103124 -0.0121415 45
13491 203 H 29.0313 2.42245 63.4061 0.00704024 0.0104313 0.0145032 45
13492 204 H 28.6758 3.78376 62.27 0.00215577 0.00591391 -0.00502646 45
13493 205 H 31.2355 2.14381 61.9076 -0.00484408 -0.00600323 0.00467485 45
13494 206 H 29.7639 1.60077 61.2217 -0.00939406 0.00719961 -0.00462281 45
13495 207 H 30.7035 4.45024 60.635 0.00204008 -0.00300708 0.0101869 45
13496 208 H 31.1719 3.02813 59.6093 0.00379999 0.00613431 0.0031401 45
13497 209 H 28.6376 2.60139 59.3817 0.0145937 -0.00470102 -0.0128123 45
13498 210 H 28.3488 4.18371 60.043 0.00130573 0.00434518 -0.00155335 45
13499 211 H 28.3553 4.67619 57.772 -5.04323e-05 0.0128853 0.0155251 45
13500 212 H 29.9773 5.08962 58.1898 -0.000391949 0.00239523 0.00439771 45
13501 213 H 30.7773 3.76943 56.546 -0.00344337 0.00229245 -0.00148748 45
13502 214 H 30.1721 2.32703 57.4142 -0.00604964 -0.000875825 -0.0019704 45
13503 215 H 29.5316 2.19469 55.2809 -0.00907711 -0.00688038 -0.00755987 45
13504 216 H 28.0874 2.52362 56.3053 -0.0014593 0.0127315 0.0100105 45
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13506 218 H 29.4171 4.9011 54.7938 -0.0075417 0.00387294 0.000577105 45
13507 219 H 27.0093 3.14884 53.9601 0.00921728 -0.0101943 0.000747407 45
13508 220 H 27.2729 4.81531 53.4036 0.00500746 0.00622055 0.00916668 45
13509 221 H 29.6174 3.8651 52.6407 -0.00529043 0.00772411 -0.0063993 45
13510 222 H 28.8346 2.24548 52.7017 0.00552589 -9.90365e-05 0.00961854 45
13511 223 H 27.0807 2.91537 51.2397 0.00105162 0.0030681 0.00122045 45
13512 224 H 27.7859 4.49561 51.0234 0.0027235 0.00553928 0.0146728 45
13513 225 H 28.3639 3.08099 49.0751 0.00283797 -0.007984 -0.00112864 45
13514 226 H 29.8795 3.50271 49.9054 -0.00394048 0.00558716 -0.00755883 45
13515 227 H 29.2155 1.90833 50.1429 0.000246419 -0.00462946 0.00103281 45
13516 228 H 29.451 6.49832 82.2781 0.00444489 0.0026262 -0.00270786 45
13517 229 H 28.9346 4.79458 81.9661 0.00564269 -0.00687554 -0.00100001 45
13518 230 H 29.6693 4.01355 84.0397 0.00297227 -0.00379498 -0.00934862 45
13519 231 H 30.4839 5.56749 84.4758 -0.000625025 -0.00191647 -0.0063588 45
13520 232 H 28.3268 6.62365 84.6459 -0.0111704 -0.00149077 -0.000942969 45
13521 233 H 27.4594 5.3605 83.8362 0.00854801 -0.00165887 -0.00558437 45
13522 234 H 26.7975 4.94449 85.9914 0.000389516 -0.0113813 -0.00782628 45
13523 235 H 28.1604 3.79523 85.8667 0.00370947 0.00523357 -6.01899e-05 45
13524 236 H 29.6047 5.23339 87.0564 0.00263284 -0.0037379 0.0205554 45
13525 237 H 28.4339 6.59268 87.0208 -0.0122249 -0.00404543 0.00293747 45
13526 238 H 26.9334 5.16519 88.4453 -0.0039638 -0.00447307 -0.00890192 45
13527 239 H 28.1957 3.87052 88.3975 -0.0020968 0.000854114 -0.01043 45
13528 240 H 29.7694 5.51629 89.423 0.000674167 0.00153305 -0.00340173 45
13529 241 H 28.4265 6.69458 89.5856 -0.00330438 -0.00268212 6.77453e-05 45
13530 242 H 27.2484 5.0705 91.0573 0.00411034 0.00641282 0.0132678 45
13531 243 H 28.6219 3.89659 90.8895 -0.0117537 0.00605664 -0.00350868 45
13532 244 H 30.1256 5.3671 91.9319 0.000107398 0.00177065 0.00326282 45
13533 245 H 28.8384 6.64739 92.1729 -0.001383 -0.000452367 -0.000500074 45
13534 246 H 27.6308 5.12302 93.6716 -0.00508231 -0.0152431 -0.00218241 45
13535 247 H 28.9283 3.86138 93.4206 0.0092145 0.00186003 -0.000528237 45
13536 248 H 30.5493 5.29735 94.5748 -0.003199 -0.0143428 0.000630191 45
13537 249 H 29.4572 6.66517 94.5121 0.0102787 0.00018265 -0.00680468 45
13538 250 H 29.4773 5.59578 96.8049 -0.00992645 0.0127638 0.002413 45
13539 251 H 27.821 5.58492 96.1022 -0.0032043 -0.0158967 0.00913681 45
13540 252 H 28.8446 4.09185 96.1429 0.00277748 9.46213e-05 -0.00351517 45
13541 253 H 36.5769 8.71436 82.5173 -0.00479426 -0.00863663 0.00301854 45
13542 254 H 35.1528 9.66184 82.0302 0.00496195 0.00308038 -0.00650328 45
13543 255 H 34.2355 9.53316 84.2018 -0.0116915 -0.00656425 -0.00175376 45
13544 256 H 34.6641 7.86504 84.3865 0.0130522 -0.0113527 -0.0165653 45
13545 257 H 36.8894 8.28841 85.0573 0.000720721 0.00605871 -0.00513058 45
13546 258 H 36.8506 9.98626 84.6363 0.0045062 0.000493549 0.0145989 45
13547 259 H 35.3904 10.6197 86.455 -0.00705504 -0.00495658 0.0059491 45
13548 260 H 34.8829 8.97277 86.7227 0.000877343 0.00385028 0.00913663 45
13549 261 H 37.152 8.36664 87.6108 0.00260166 0.0040811 -0.00446535 45
13550 262 H 37.8067 9.94673 87.2898 0.000946512 -0.00660447 0.00358962 45
13551 263 H 36.165 10.9656 88.8788 0.000848338 -0.00149211 -0.000129987 45
13552 264 H 35.3557 9.48942 89.0854 -0.00163157 0.00869534 0.0046488 45
13553 265 H 37.5386 8.45314 90.0203 -0.000508937 -0.000683759 0.0159694 45
13554 266 H 38.2189 10.0345 90.0883 0.00141929 0.00697924 0.0180325 45
13555 267 H 36.2522 10.8629 91.3935 -0.00157983 -0.00238978 0.00134647 45
13556 268 H 35.4654 9.36858 91.3865 0.00225577 0.00417808 -0.00448529 45
13557 269 H 37.4329 8.39449 92.8486 -0.0135881 -0.00333301 -0.000427111 45
13558 270 H 38.1508 10.0483 92.7947 -0.00195869 0.00204241 0.00189317 45
13559 271 H 36.2966 11.007 93.9004 0.00132101 0.00443559 -0.00416048 45
13560 272 H 35.3058 9.49961 93.7722 0.00397136 0.0162874 -0.00380361 45
13561 273 H 36.9251 8.45105 95.4547 0.0181589 0.000766603 -0.000945195 45
13562 274 H 37.8207 9.95825 95.4778 0.0032588 -0.0139424 0.00530222 45
13563 275 H 36.2224 10.0023 97.4108 0.000741115 -0.00110535 0.000667666 45
13564 276 H 35.6607 11.1785 96.2158 0.0109446 0.000417856 -0.00904563 45
13565 277 H 34.846 9.57448 96.3664 0.00234677 -0.00848547 -0.000293639 45
13566 278 H 34.9062 0.700048 82.8276 0.00349322 -0.00264833 0.00321428 45
13567 279 H 36.5322 1.2575 82.4362 -0.00321963 0.0144191 -0.00738832 45
13568 280 H 35.0883 2.19167 84.8415 0.00164532 0.00757172 0.000524427 45
13569 281 H 36.7262 2.64012 84.2649 -0.00158293 0.000259882 -0.00282205 45
13570 282 H 37.4525 0.226343 84.4839 0.00617437 0.0143171 -0.0125442 45
13571 283 H 35.8518 -0.158815 85.0995 -0.00599516 0.00601377 3.97575e-05 45
13572 284 H 37.2775 2.07079 86.4603 0.00724517 -0.00257704 -0.0034221 45
13573 285 H 37.9295 0.463453 86.6514 -0.00106587 -0.00276368 0.00158861 45
13574 286 H 35.6301 -0.383072 87.4032 0.00818436 0.00106604 0.00274675 45
13575 287 H 35.0606 1.26182 87.4912 -0.00526358 -0.00784736 -0.00668938 45
13576 288 H 37.0121 1.91431 88.9587 0.0189783 -0.00409849 -0.0122098 45
13577 289 H 37.579 0.291539 88.8633 -0.0122773 -0.0135709 -0.00797644 45
13578 290 H 35.5146 -0.582809 89.9277 0.000142388 0.00210814 0.012283 45
13579 291 H 34.9008 1.11861 90.1048 0.00523489 0.00774522 0.0015425 45
13580 292 H 36.7816 1.68078 91.4845 -0.00367604 -0.00164982 0.00275668 45
13581 293 H 37.5484 0.0570268 91.2428 0.00909504 0.0122685 -0.00668512 45
13582 294 H 35.469 -0.898622 92.3518 0.00363587 -0.000973687 -0.000221419 45
13583 295 H 34.9164 0.798442 92.6119 0.00499227 0.00437414 0.0115987 45
13584 296 H 36.7552 1.4125 93.8959 -0.0105113 0.00236826 -0.0091593 45
13585 297 H 37.5399 -0.155008 93.8451 0.00799363 0.0174564 -0.00760816 45
13586 298 H 35.8179 -1.26825 95.1877 0.0094797 0.00077685 0.0100822 45
13587 299 H 34.8343 0.215636 95.1229 -0.00889142 -0.019145 -0.00234578 45
13588 300 H 36.2767 1.54855 96.3202 0.0280591 0.00335946 0.0027339 45
13589 301 H 37.5787 0.373292 96.3808 0.0021671 0.023532 -0.0162382 45
13590 302 H 36.0459 0.0750407 97.3027 0.00517774 -0.0103869 0.000112998 45
13591 1 C 39.4712 15.2061 79.5169 0.000734953 0.00465107 0.00146663 46
13592 2 C 39.4302 15.0778 78.119 -0.00244389 -0.005788 0.00224705 46
13593 3 C 38.8827 13.9524 77.5485 0.000329596 0.00211832 0.000774792 46
13594 4 C 38.4127 12.9269 78.3907 0.000187575 0.00307162 0.00546696 46
13595 5 C 38.4005 13.0656 79.7938 -8.68044e-05 -0.0017953 -0.000631652 46
13596 6 C 38.9478 14.2087 80.383 -0.000923677 -0.0024609 -0.0019533 46
13597 7 C 33.9302 11.9174 79.7688 0.00365198 -0.00109094 0.000704094 46
13598 8 C 34.0085 11.6976 78.397 0.0028535 -0.00255706 0.00121839 46
13599 9 C 35.2034 11.5569 77.7307 -0.00264717 -0.00535547 0.000614787 46
13600 10 C 36.3936 11.65 78.4991 0.000883494 0.00263025 -0.00471742 46
13601 11 C 36.3602 11.8144 79.9095 0.00255999 -0.00207352 -0.00462562 46
13602 12 C 35.0925 11.9379 80.5593 -0.0010274 -0.000181126 -0.00219235 46
13603 13 C 39.6395 8.44579 80.168 -0.000707208 -4.82128e-05 0.00197012 46
13604 14 C 39.7355 8.3977 78.7819 -0.00296024 0.00436072 -0.000488319 46
13605 15 C 39.1851 9.43927 78.0198 -0.00213606 -0.00167414 0.0011907 46
13606 16 C 38.5148 10.5156 78.6503 0.000752698 0.000410834 -0.000426837 46
13607 17 C 37.8202 11.6151 77.9139 0.00273436 0.000679899 -0.00303074 46
13608 18 O 38.9223 9.57388 82.2143 -0.000282445 0.000158841 -0.000445125 46
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13611 21 C 39.0345 9.53823 80.8241 -0.000857182 -0.000814002 -0.00122772 46
13612 22 C 37.7768 11.4047 76.473 0.000613425 0.00292745 -0.00527283 46
13613 23 C 37.6295 11.0959 75.2985 0.00245573 -0.000893411 0.00226839 46
13614 24 C 37.3422 10.6947 73.9555 -0.00637208 0.00397352 0.000291225 46
13615 25 C 37.7729 9.42099 73.4548 0.00704846 -0.00205344 0.00347852 46
13616 26 C 37.28 8.8822 72.2457 0.00119869 0.000891388 0.00350006 46
13617 27 C 36.375 9.63392 71.4966 0.000749307 0.00300581 -0.00291137 46
13618 28 C 35.9034 10.8442 72.021 0.00281022 0.00172575 0.000236611 46
13619 29 C 36.3588 11.3723 73.2287 0.00164158 0.00353335 -0.00273875 46
13620 30 C 35.9886 9.28562 70.1519 0.00194419 -0.00525241 0.000118888 46
13621 31 C 35.8473 9.01953 68.9735 0.0022776 -0.00218477 0.00116356 46
13622 32 C 33.6776 5.66036 67.0624 -0.00160988 -0.00185258 -0.00124675 46
13623 33 C 33.7527 5.60164 65.6606 -0.0013107 -0.00405925 0.000402476 46
13624 34 C 34.4012 6.59236 64.9096 0.00023678 -0.000751697 -0.00269362 46
13625 35 C 34.9595 7.66759 65.5682 0.00561711 -0.00333127 5.71038e-05 46
13626 36 C 35.0009 7.71422 66.9737 -0.00394546 -0.00122932 -0.00171702 46
13627 37 C 34.318 6.71681 67.7188 0.00401933 0.00357145 0.00164737 46
13628 38 C 35.7874 8.87787 67.5173 -0.00320603 0.00196087 0.00239708 46
13629 39 C 39.5683 8.82688 66.6693 0.00139087 0.000286223 0.00360573 46
13630 40 C 39.473 8.86941 65.2499 -0.0061465 0.00415595 0.00390771 46
13631 41 C 38.2126 8.86352 64.6223 0.0026949 -0.00202551 -0.000761433 46
13632 42 C 37.0816 8.75012 65.4086 -0.00174851 -0.00134277 -0.00364546 46
13633 43 C 37.1549 8.77227 66.8043 -0.00420164 -0.0043304 7.1134e-05 46
13634 44 C 38.4102 8.78978 67.4249 -0.000964716 0.000393318 0.00134599 46
13635 45 C 34.3785 12.4427 66.8749 0.00134567 0.000466574 0.00329292 46
13636 46 C 34.4128 12.4646 65.4566 -0.00334834 -0.000572752 -0.00215957 46
13637 47 C 34.8144 11.308 64.7577 -0.00103951 -0.0016457 -0.000768594 46
13638 48 C 35.1995 10.1645 65.4459 0.000416954 -0.000494345 -0.00027036 46
13639 49 C 35.6918 8.82666 64.8586 0.00121136 -0.00295731 0.000246128 46
13640 50 C 35.174 10.1637 66.8675 0.00193034 -0.00575667 -0.00091911 46
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13645 55 C 37.7551 11.8799 80.5645 -0.00171556 -0.00331029 0.0037959 46
13646 56 C 38.4872 10.609 80.045 0.00450104 0.00212465 0.00320376 46
13647 57 C 37.7524 8.09638 62.3397 0.00368529 -0.00120087 2.11378e-06 46
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13649 59 C 36.5724 7.82011 60.1056 0.00199993 -0.000840972 -0.00344392 46
13650 60 C 35.6734 8.45243 59.0307 0.00114439 -8.27686e-05 -0.00195124 46
13651 61 C 36.4038 9.31304 58.0208 0.000812072 0.00117415 -0.00109415 46
13652 62 C 37.2969 8.5263 57.0405 -0.000665879 0.000452496 0.000630085 46
13653 63 C 37.1915 9.00382 55.5665 -0.00553232 0.000752601 0.00222966 46
13654 64 C 35.7953 8.74612 54.9422 0.00217982 5.58326e-05 0.000895043 46
13655 65 C 35.8128 8.12434 53.5249 0.00243551 0.00387397 0.00202409 46
13656 66 C 36.1459 9.03852 52.3763 0.000238359 0.000288868 -0.00219218 46
13657 67 C 36.137 8.20164 51.0536 -0.00166372 -0.00280045 0.00073889 46
13658 68 C 36.4955 8.97843 49.8257 0.0034434 0.00490083 3.7732e-05 46
13659 69 F 37.7433 7.67398 71.7988 -0.00244891 -0.00212474 -0.00139848 46
13660 70 C 33.3273 6.67656 62.8255 0.000105543 -0.00266934 0.00266871 46
13661 71 C 32.9059 5.36586 62.1902 -0.00373804 -0.000158922 0.00163791 46
13662 72 C 33.4195 5.17831 60.7429 -0.000258846 0.000850152 -0.00273769 46
13663 73 C 32.8068 6.08402 59.659 -0.000263746 0.00187281 0.00137296 46
13664 74 C 33.1901 5.7595 58.197 -0.00113691 0.000261228 -0.0015613 46
13665 75 C 32.7792 6.92189 57.2396 0.000940149 0.00270705 0.0046516 46
13666 76 C 32.0196 6.54905 55.9659 -0.00120394 0.000108023 0.00325616 46
13667 77 C 32.8384 5.90821 54.8879 -0.00113982 -0.00183229 -0.00194496 46
13668 78 C 32.0448 5.97827 53.5423 -0.000980896 0.00139765 -0.000689487 46
13669 79 C 32.8296 5.46886 52.3017 -0.00164122 0.0032013 0.00310892 46
13670 80 C 31.9361 5.58293 51.0592 -0.00509761 0.00106271 0.00446383 46
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13675 85 C 35.9755 12.9274 58.8007 0.00157671 0.000248405 -0.000719014 46
13676 86 C 36.9421 12.9924 57.6168 -0.00212964 -0.00255009 0.000346444 46
13677 87 C 36.0897 12.8878 56.3443 -0.0012413 -0.000459545 -0.00152179 46
13678 88 C 36.9739 12.9689 55.0878 -0.00154179 0.00117031 0.00166184 46
13679 89 C 36.0887 12.8052 53.869 -0.00278542 -0.000675397 -0.00295391 46
13680 90 C 36.8706 12.9435 52.5668 -0.00298304 0.0019539 0.00269961 46
13681 91 C 35.8563 12.8448 51.3748 -0.000877935 -0.000341597 0.00345592 46
13682 92 C 36.5324 12.8211 49.9637 -0.00102917 0.00505672 0.000679139 46
13683 93 C 35.4362 12.6848 48.8932 0.0014291 0.00307372 0.00130345 46
13684 94 C 33.78 11.8736 82.593 0.00473218 -0.00174568 0.00212624 46
13685 95 C 33.903 12.1857 84.1227 0.0009076 0.00455615 0.000493336 46
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13687 97 C 32.523 11.5456 86.2848 0.000951863 0.00123264 0.00190163 46
13688 98 C 32.6513 12.8525 87.09 -0.00165829 0.00378231 0.00410609 46
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13690 100 C 33.5145 11.7822 89.2516 -0.00370076 0.00256169 -0.000682132 46
13691 101 C 33.1446 11.367 90.6656 -0.00310386 -0.0015024 -0.00150587 46
13692 102 C 33.6129 12.2905 91.7789 -0.00265282 0.00127349 -0.0060013 46
13693 103 C 33.1912 11.7628 93.1536 0.00310579 -0.00266053 0.00453427 46
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13695 105 C 33.0286 12.2419 95.6373 0.00138272 -0.00132168 -0.000923848 46
13696 106 C 39.4852 15.6211 82.3391 0.00419831 -0.0029974 0.00429842 46
13697 107 C 39.5398 15.6762 83.8872 -0.00154577 -0.00103951 0.000495913 46
13698 108 C 39.9792 17.0975 84.3178 0.00151795 0.000117597 0.000875839 46
13699 109 C 40.7328 17.3314 85.6344 0.0025572 -6.62474e-05 3.5338e-05 46
13700 110 C 40.132 16.6767 86.8744 0.000177272 0.00171816 0.00120236 46
13701 111 C 40.8859 17.1372 88.1705 -0.00430981 0.00154103 -0.00111282 46
13702 112 C 40.1812 16.6458 89.44 -0.00185971 -4.35522e-05 -0.00193316 46
13703 113 C 40.9493 17.109 90.655 6.6354e-05 0.000166482 0.00186159 46
13704 114 C 40.3583 16.6481 92.0131 0.00135053 0.00396344 0.00215855 46
13705 115 C 41.1559 17.2831 93.1779 -0.00139605 -0.0022243 0.000814537 46
13706 116 C 40.5213 16.9052 94.5289 0.000168273 -0.00145893 -0.00138913 46
13707 117 C 41.1575 17.7063 95.6503 0.00183413 -0.00223323 0.00177495 46
13708 118 C 38.9293 8.41349 83.0612 -0.00142549 0.00342408 -0.00164493 46
13709 119 C 40.3263 7.96147 83.4346 0.00446457 0.00248172 -0.00357043 46
13710 120 C 40.4805 7.19674 84.7719 -0.00377679 0.00230857 -0.00200515 46
13711 121 C 40.2138 7.9792 86.0624 0.00282406 -0.000116324 -0.00185466 46
13712 122 C 40.4121 7.1789 87.3382 0.00309659 -0.000263327 -0.00130764 46
13713 123 C 40.441 8.01368 88.6335 -0.000351322 -0.00281439 0.00196061 46
13714 124 C 40.3165 7.1212 89.9191 -0.00060848 3.45937e-06 0.00261737 46
13715 125 C 40.4118 7.91947 91.2813 0.00613601 -0.00265077 0.000242174 46
13716 126 C 40.2503 7.00391 92.5109 -0.00158003 0.0026323 0.000900188 46
13717 127 C 40.3006 7.7728 93.8446 -0.00174864 0.000492179 0.00246958 46
13718 128 C 40.2422 6.83426 95.0407 0.0027578 0.00130484 -0.000430142 46
13719 129 C 40.2451 7.60218 96.3646 -0.0044623 0.000721803 -0.00273996 46
13720 130 F 38.7243 8.7829 74.1844 -0.00202947 0.00112951 0.0025411 46
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13724 134 H 32.9557 12.0383 80.2325 0.00371474 -0.0107093 0.0033524 46
13725 135 H 33.1161 11.672 77.7788 -0.00208304 -0.000572002 0.00828359 46
13726 136 H 35.1731 11.4087 76.6553 0.0213408 -0.00318794 -0.00034129 46
13727 137 H 40.1068 7.65583 80.7485 0.00792703 0.0112831 0.0104751 46
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13734 144 H 34.2426 6.80382 68.7987 0.00537134 0.00775488 0.00140788 46
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13741 151 H 34.8212 11.375 68.6554 0.000987246 -0.0206195 0.00435214 46
13742 152 H 37.7845 11.9958 81.655 -0.00934601 -0.00893343 0.00458979 46
13743 153 H 38.6415 7.67407 61.8554 0.00519695 -0.000612332 0.00227407 46
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13745 155 H 37.4072 9.67392 60.7829 -0.00940212 0.00531098 0.00895161 46
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13748 158 H 37.5002 7.42952 59.6695 -0.00164443 -0.00434128 -0.00806138 46
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13750 160 H 35.3289 7.57072 58.4763 -0.0054495 0.00130251 -2.8568e-05 46
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13760 170 H 36.5064 7.27477 53.5011 -0.00496691 -0.00225129 0.00462474 46
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13814 224 H 37.2624 12.0102 49.8498 0.00172153 0.00762512 1.82791e-05 46
13815 225 H 35.8608 12.5003 47.8987 -0.00330806 0.00383437 -0.000858518 46
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13820 230 H 34.7228 11.6255 84.5892 -0.00923259 0.00373884 0.0173908 46
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13823 233 H 32.3158 10.7774 84.2945 0.00551596 -0.00228959 0.0142749 46
13824 234 H 31.5575 11.0913 86.5392 -0.00439816 0.0145716 0.00545656 46
13825 235 H 33.2846 10.8153 86.5849 0.00842025 0.00594149 -0.0056058 46
13826 236 H 33.6379 13.2878 86.8889 0.00197221 -0.00819016 -0.00402172 46
13827 237 H 31.8783 13.5569 86.7588 0.00923545 0.0115542 -0.00481392 46
13828 238 H 32.5011 13.6562 89.0818 0.0111874 -0.00630787 0.00307002 46
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13830 240 H 33.5839 10.8674 88.6501 -0.0106533 -0.000107282 0.00256809 46
13831 241 H 34.4947 12.2741 89.2782 -0.000409933 -0.00426787 0.00462977 46
13832 242 H 32.0554 11.2452 90.7114 -0.00123271 -0.0110035 0.0167155 46
13833 243 H 33.7237 10.4462 90.808 -0.00180677 -0.000677656 -0.00140384 46
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13836 246 H 32.0976 11.684 93.1902 0.00234583 0.00604487 0.000567825 46
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13844 254 H 38.7916 16.398 81.9946 -0.01313 -0.0101323 0.0230315 46
13845 255 H 38.5344 15.5064 84.2919 0.000208448 0.00438187 0.00713008 46
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13847 257 H 40.5972 17.5515 83.5334 -0.00705791 -0.00258768 -0.00744456 46
13848 258 H 39.0841 17.722 84.428 -0.00846138 -0.0145858 0.00307929 46
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13850 260 H 40.8122 18.4148 85.7875 0.00770512 7.60725e-05 -0.00365794 46
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13860 270 H 40.3339 15.5535 92.0809 -0.00742327 0.00398496 -0.00031919 46
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13865 275 H 40.7964 17.3773 96.6326 -0.00423935 0.000780502 0.000553045 46
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13875 285 H 40.9008 8.83081 86.1418 0.0137587 -0.00962922 0.00572768 46
13876 286 H 41.3266 6.57833 87.2584 0.00742444 0.00519319 0.00741223 46
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13894 2 C 43.7395 8.26072 78.6027 0.001618 0.00322874 0.00243341 47
13895 3 C 43.1267 7.21142 77.9267 0.00480676 -0.00206071 0.00268714 47
13896 4 C 42.4418 6.25938 78.6588 0.00227693 -0.00219562 0.00184308 47
13897 5 C 42.4069 6.2836 80.0852 0.000224319 0.000705474 0.00128348 47
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13901 9 C 39.2142 4.87284 77.7901 -0.00202918 -0.0042247 -0.000840804 47
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13904 12 C 38.985 5.015 80.6122 -0.000901175 -0.00157263 -0.00462495 47
13905 13 C 43.5298 1.71105 79.948 0.00125957 0.00181329 -0.00278815 47
13906 14 C 43.65 1.80701 78.5695 0.000244754 0.00258962 0.00495121 47
13907 15 C 43.1088 2.85356 77.886 0.000259522 -0.00406748 0.00188136 47
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13914 22 C 41.7775 4.97427 76.5576 0.00110177 -0.00187218 0.0015933 47
13915 23 C 41.7149 4.76461 75.3898 0.000279636 0.00326995 0.00101935 47
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13917 25 C 42.0955 3.29833 73.4496 -0.00530936 0.00391025 0.00119604 47
13918 26 C 41.6941 2.83644 72.1689 0.00160677 -0.000129333 0.000628866 47
13919 27 C 40.6287 3.50364 71.4838 -0.00257489 0.000324543 0.00442274 47
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13921 29 C 40.4985 5.06934 73.2996 0.00055883 0.00513967 0.0018927 47
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13925 33 C 38.0042 -1.28482 66.2413 -0.00251647 0.00315508 0.00408233 47
13926 34 C 38.3835 -0.256708 65.3415 0.000128024 0.00210416 0.00178577 47
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13928 36 C 39.0463 1.0997 67.2702 0.00338126 -0.00241342 0.000248425 47
13929 37 C 38.5959 0.103578 68.1535 -0.00334785 0.00151669 -0.000349294 47
13930 38 C 39.744 2.36316 67.6483 0.000918118 -0.000392071 -0.00556368 47
13931 39 C 43.4453 2.0482 66.5838 0.00379739 0.00275256 0.001185 47
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13933 41 C 41.985 2.25912 64.6568 -0.000271053 0.00194296 0.000193551 47
13934 42 C 40.876 2.13292 65.4673 0.00170898 -0.00354814 -0.00309078 47
13935 43 C 41.0517 2.23445 66.8717 -0.00530016 -0.00214691 -0.00146016 47
13936 44 C 42.344 2.19956 67.4111 -0.00116745 0.00186199 0.000663582 47
13937 45 C 37.6637 5.50071 66.8212 -6.83115e-05 0.00495194 0.00163452 47
13938 46 C 37.598 5.41909 65.4305 0.00167976 -0.000822834 0.00491154 47
13939 47 C 38.1766 4.33989 64.7554 0.00127792 0.00156929 0.00196909 47
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13941 49 C 39.412 2.07998 65.0255 0.00235168 0.00149992 -0.00117711 47
13942 50 C 38.8765 3.46045 66.9417 0.00245776 -0.00120526 0.00172205 47
13943 51 C 38.3094 4.57928 67.5899 -0.00330949 0.00281629 0.00211082 47
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13948 56 C 42.3414 3.83151 80.0692 0.000911175 0.000383954 -0.00457009 47
13949 57 C 41.3149 1.47337 62.4253 0.00235914 -3.14128e-06 0.000760279 47
13950 58 C 40.9416 2.17486 61.1055 -0.0029014 -0.00183213 -0.00200895 47
13951 59 C 40.3309 1.25696 60.0656 -0.00104835 -0.000565435 0.00279117 47
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13979 87 C 36.687 4.57422 55.9544 0.000975353 0.00210814 0.00248098 47
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13982 90 C 35.8215 3.52905 52.2683 -0.00136597 -0.000938715 -0.00381295 47
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13985 93 C 36.0438 4.17839 48.3394 0.00032927 0.000811088 0.00512964 47
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14436 242 H 39.142 11.7958 90.9937 -0.000181719 -0.0168708 -0.0075643 48
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14438 244 H 41.9613 12.293 92.0519 0.000649232 0.00326518 0.00382342 48
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14464 270 H 48.2382 18.0006 91.9043 0.00158044 0.00240485 -0.00654325 48
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14501 5 C 3.13741 19.8497 80.0087 -0.00032632 -0.00149634 6.86212e-05 49
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14506 10 C 1.12151 18.6128 78.6225 -0.00329829 0.00114256 -0.000733692 49
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14508 12 C -0.282206 18.7029 80.6414 -0.00540684 0.00219743 -0.00481701 49
14509 13 C 4.20554 15.2585 80.3263 0.00227314 0.00320908 0.000105661 49
14510 14 C 4.25457 15.2249 78.9255 0.00344373 -0.0010759 0.00417003 49
14511 15 C 3.74966 16.2346 78.1568 0.00445376 -0.00231401 -0.0012178 49
14512 16 C 3.14725 17.3317 78.8111 0.00103339 0.000415429 -0.000570361 49
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15190 90 C 5.43365 16.8398 52.1838 0.00376575 -0.00186425 -0.00128117 51
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15211 111 C 12.4137 23.9768 87.8682 -0.00448497 -0.0005748 -0.000352894 51
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15214 114 C 13.1863 22.7109 91.4887 1.41179e-05 -0.000738979 -0.000116236 51
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15217 117 C 13.6356 23.8074 95.2893 0.000301328 0.00122641 0.00225874 51
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15224 124 C 13.4477 15.2461 89.5848 0.000795583 0.00181302 0.000830526 51
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15295 195 H 8.19899 8.90352 53.6508 0.000791761 0.00999289 0.00789765 51
15296 196 H 8.47051 10.9194 52.3089 0.00492341 0.00175684 0.01446 51
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15299 199 H 7.9486 8.78168 51.0687 0.0012048 0.011185 0.0199998 51
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15301 201 H 8.80557 9.59881 48.7668 0.00131323 0.00972924 -0.0100695 51
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15308 208 H 7.31517 16.9475 59.4196 0.00421868 0.00679242 0.00486594 51
15309 209 H 5.09524 15.8666 58.5776 0.00571425 0.00303208 0.00382989 51
15310 210 H 4.36507 17.4077 58.9033 0.00989059 0.004924 0.000710879 51
15311 211 H 5.69785 18.5453 57.2255 0.0119685 0.000584357 0.00118263 51
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15313 213 H 5.03018 15.605 56.2057 -0.0100146 0.00506231 0.00282136 51
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15315 215 H 5.39953 18.187 54.6192 0.00864761 -0.00115363 0.00109283 51
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15317 217 H 4.94388 15.315 53.5745 -0.00513352 0.00086809 0.00713057 51
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15319 219 H 5.40871 17.931 52.0733 -0.0202939 -0.00239429 -0.0011685 51
15320 220 H 6.46887 16.4814 52.241 0.0017355 -0.00452915 0.0193485 51
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15322 222 H 3.73844 16.5908 50.9211 -0.00192929 0.00269223 -0.0153806 51
15323 223 H 4.81166 16.1585 48.8359 -0.00593474 0.0108284 -0.000393881 51
15324 224 H 5.21041 17.7667 49.4952 0.0144084 0.000901319 0.00569115 51
15325 225 H 7.44806 16.9242 50.1902 0.00512374 -0.00640132 -0.00517237 51
15326 226 H 7.05002 15.2569 49.7175 0.00247635 -0.000938465 -0.0129324 51
15327 227 H 7.29744 16.5235 48.4827 -0.00141412 -0.0127126 -0.00291207 51
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15330 230 H 6.36898 17.8561 83.9859 -0.00523157 0.000884533 -0.00222611 51
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15332 232 H 4.15016 20.027 83.9832 0.00518852 0.00419482 0.000764293 51
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15335 235 H 3.81071 19.6781 86.2509 0.00814692 -0.00445674 0.0232531 51
15336 236 H 4.44105 17.539 86.7328 -0.0102008 0.00713825 5.46097e-05 51
15337 237 H 6.18472 17.7818 86.2503 0.005037 0.006014 0.00937744 51
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15339 239 H 6.64283 19.0384 88.1102 -0.00479522 0.0107408 0.00558205 51
15340 240 H 4.5182 20.3052 88.4927 0.00228983 -0.00780817 -0.00764512 51
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15342 242 H 6.36818 19.9542 90.2903 -0.00536589 0.00648233 0.00309956 51
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15345 245 H 5.78584 17.7533 91.1862 -0.00699292 -0.00809159 0.017596 51
15346 246 H 6.58556 19.4672 92.8851 -0.00228753 0.00311851 0.0101196 51
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15348 248 H 4.28241 17.7787 93.8758 -0.0017124 -0.00330724 0.00633377 51
15349 249 H 5.91536 17.1695 93.6634 0.0212741 0.0165876 0.00113513 51
15350 250 H 5.08822 19.5659 95.4997 -0.0057735 -0.00164894 -0.00245334 51
15351 251 H 5.41691 17.9611 96.1052 0.00414729 -0.00274628 -0.00245904 51
15352 252 H 6.73446 18.9587 95.3705 0.0031638 -0.0130229 0.0102003 51
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15354 254 H 10.6939 22.2119 83.3897 0.0114408 0.00201662 0.0087929 51
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15356 256 H 13.191 23.1486 81.9744 -0.0100546 0.0191942 0.00386104 51
15357 257 H 14.0447 23.9004 83.9922 0.00290675 -0.00137838 0.00390345 51
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15359 259 H 11.5199 23.2115 85.5357 0.00136383 -0.00194794 0.000111695 51
15360 260 H 12.8645 22.0642 85.5534 0.00181648 0.00396566 0.0196905 51
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15362 262 H 13.4058 24.9405 86.2281 0.0167345 -0.00139651 0.00679093 51
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15364 264 H 11.3484 23.9256 87.6115 -0.00451891 -0.0336003 0.00627764 51
15365 265 H 11.6478 22.6577 89.3729 -0.00273865 0.00141083 0.00498389 51
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15369 269 H 12.1024 22.5999 91.6155 0.000300316 -0.00157925 0.00158478 51
15370 270 H 13.6332 21.7111 91.4247 -0.00884052 -0.0047157 0.000130637 51
15371 271 H 14.7718 23.3695 92.7656 0.00184804 0.0108378 0.00193988 51
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15373 273 H 12.0087 23.144 94.056 -0.00772247 -0.0211704 0.00800043 51
15374 274 H 13.2717 21.9088 94.3144 -0.0120989 -0.00200863 0.00417955 51
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15379 279 H 12.9661 14.666 82.4017 0.00306184 0.00375931 0.00309814 51
15380 280 H 11.5523 15.5444 84.9807 0.00519109 0.010964 0.00714101 51
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15385 285 H 13.804 13.3798 86.8901 0.00205454 -0.000345065 -0.000364803 51
15386 286 H 11.3193 13.8614 87.2967 -0.000214114 0.00476173 -0.0149208 51
15387 287 H 11.7358 15.5464 87.3079 0.00536142 -0.000971873 -0.0116492 51
15388 288 H 12.7879 13.2471 89.0617 0.0170401 0.00365031 0.000756287 51
15389 289 H 11.5521 14.3475 89.5741 -0.000904653 0.0231205 -0.00349653 51
15390 290 H 13.1137 16.29 89.5381 0.011469 0.00516334 -0.000712945 51
15391 291 H 14.4059 15.1691 89.0563 0.00955513 0.00797267 0.0157966 51
15392 292 H 14.6354 15.3737 91.3297 -0.0101792 0.00896446 0.00262709 51
15393 293 H 13.8824 13.7847 91.0181 -0.000172833 -0.00130378 -0.0139246 51
15394 294 H 11.5676 14.752 91.6981 -0.00922362 0.0105541 0.0062331 51
15395 295 H 12.3922 16.2541 92.0298 -0.00458297 -0.00122951 0.00875979 51
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15397 297 H 12.0867 15.1791 94.1153 0.0058473 0.0079791 0.00264442 51
15398 298 H 14.3217 16.4479 93.7092 -0.0124347 0.00393858 0.00685501 51
15399 299 H 15.0938 14.8383 93.5247 -0.00539471 0.00210415 -0.008428 51
15400 300 H 14.2189 14.2164 95.863 0.00669491 -0.00156022 0.00537768 51
15401 301 H 13.5599 15.8017 96.0124 0.000257669 0.000466099 -0.00764669 51
15402 302 H 15.3227 15.6442 95.848 0.00444371 -0.0091874 0.00506723 51
15403 1 C 16.2072 28.6711 79.663 0.00028056 0.000757979 -0.0017949 52
15404 2 C 16.3233 28.4681 78.2816 0.00119649 -1.1906e-05 0.00230593 52
15405 3 C 15.6715 27.379 77.6976 0.000258709 0.00193361 -0.000510081 52
15406 4 C 14.991 26.4808 78.4943 -0.000357957 -0.000452475 0.00246557 52
15407 5 C 14.9129 26.6194 79.9239 -0.00108133 0.00560875 -0.000560011 52
15408 6 C 15.5121 27.7656 80.5109 -0.00480857 -0.000464297 0.000380435 52
15409 7 C 10.3988 25.5588 79.761 -0.000853528 0.00319802 -0.00168765 52
15410 8 C 10.4376 25.4505 78.3772 0.00167541 -0.00207911 0.000990733 52
15411 9 C 11.6631 25.3647 77.7416 0.000169464 -0.00167785 0.000867401 52
15412 10 C 12.8341 25.3733 78.5229 0.000206926 0.00480944 -0.00478189 52
15413 11 C 12.7676 25.4416 79.9468 -0.00603525 -0.00225463 0.00285864 52
15414 12 C 11.5017 25.4773 80.5571 0.00374021 0.00311185 0.00255852 52
15415 13 C 16.1368 22.0082 80.0361 -0.0014182 -0.00100147 0.00266927 52
15416 14 C 16.0753 22.0043 78.6262 -0.00160163 0.00199819 -0.00393454 52
15417 15 C 15.4563 23.0444 77.906 -0.00528498 -0.00201952 0.000507929 52
15418 16 C 14.8634 24.1075 78.6367 -0.00139481 0.00101273 0.00226387 52
15419 17 C 14.2293 25.3102 77.9317 -0.00265869 -0.00107659 0.000401997 52
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15422 20 O 15.4808 27.9153 81.8688 -0.000506719 0.00239799 -0.000654237 52
15423 21 C 15.5178 23.0477 80.769 -0.00324848 0.00170655 -0.00164713 52
15424 22 C 14.2747 25.2613 76.4457 0.00340167 0.00203823 -0.00411756 52
15425 23 C 14.1741 24.9932 75.2704 0.00502535 -0.00146014 -0.00413706 52
15426 24 C 13.852 24.5771 73.9568 0.00446232 -2.54982e-05 0.000505674 52
15427 25 C 12.9033 25.266 73.1681 -0.00100938 -0.00606613 0.00298178 52
15428 26 C 12.6011 24.8083 71.8713 0.00325037 0.000603166 -0.000623935 52
15429 27 C 13.2156 23.6813 71.3619 0.0034205 -0.00212847 -0.00380733 52
15430 28 C 14.1632 22.9792 72.1712 -0.00213058 -0.000422542 0.0018059 52
15431 29 C 14.4524 23.4158 73.4569 0.00174152 -0.00114946 0.00112037 52
15432 30 C 12.9145 23.2889 70.0261 -0.00043811 -0.00406048 0.00388178 52
15433 31 C 12.6176 22.9838 68.887 -0.00299006 -0.00115693 0.00267794 52
15434 32 C 10.5988 19.2532 67.3331 -0.0044373 0.00322998 -0.00207172 52
15435 33 C 10.3847 19.1933 65.9443 -0.000394418 0.000761919 0.000818834 52
15436 34 C 10.9202 20.177 65.0807 0.00599886 0.00229515 0.0040783 52
15437 35 C 11.5313 21.3039 65.6506 -0.000505122 -0.00271594 0.00450715 52
15438 36 C 11.6706 21.4277 67.0343 -0.00120311 -0.00286185 0.00196141 52
15439 37 C 11.2357 20.3816 67.9118 -0.000550241 -0.00269293 0.00277752 52
15440 38 C 12.3977 22.739 67.4539 7.14519e-05 -0.000499353 -3.90059e-05 52
15441 39 C 16.1625 22.5895 66.3991 -0.00433081 0.000985655 -0.000800209 52
15442 40 C 15.9807 22.515 65.0183 0.000123981 0.00181469 -0.00090949 52
15443 41 C 14.7147 22.4064 64.4528 -0.00306262 0.000275595 0.00439528 52
15444 42 C 13.6019 22.4955 65.2833 0.00425041 -0.00135545 -0.00266145 52
15445 43 C 13.7395 22.6411 66.6891 -0.00166087 0.000956394 0.00077902 52
15446 44 C 15.0437 22.6351 67.2158 -0.00287794 -0.00335031 -0.00198315 52
15447 45 C 10.2278 25.922 66.6043 0.0041992 -0.00305366 0.00791246 52
15448 46 C 10.3279 25.8546 65.2191 -0.00138959 -0.00236278 0.00390278 52
15449 47 C 10.9423 24.7658 64.574 -0.00300281 0.00212053 -0.00148848 52
15450 48 C 11.5077 23.7497 65.3736 -0.00113643 -0.000449121 -0.0032297 52
15451 49 C 12.1459 22.4989 64.8162 0.000578935 0.00152381 -0.00234447 52
15452 50 C 11.5718 23.8628 66.779 -0.00293645 -9.20955e-05 -0.00179344 52
15453 51 C 10.8365 24.9284 67.3908 0.00327962 -0.00170079 -0.0018584 52
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15456 54 O 11.0186 24.788 63.1894 -0.00265299 -0.000257118 0.001496 52
15457 55 C 14.1563 25.4119 80.6042 -0.00146639 -0.00147697 -0.00152316 52
15458 56 C 14.859 24.1215 80.0646 -0.00328526 0.00296082 -0.00092287 52
15459 57 C 13.7906 21.4515 62.3242 -0.00227238 -0.00176541 -0.00424976 52
15460 58 C 13.0927 22.2152 61.1532 0.00129524 0.0010495 0.00156634 52
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15462 60 C 12.5437 22.2411 58.6479 -0.00434299 -0.00565114 -0.000138486 52
15463 61 C 12.6678 21.4302 57.36 0.000503424 -0.000318027 0.00555495 52
15464 62 C 12.0829 22.1582 56.1473 0.000220487 0.00315525 0.000750072 52
15465 63 C 12.4871 21.5173 54.8053 -0.00421736 0.00455396 0.000569119 52
15466 64 C 11.9199 22.133 53.5228 0.00130373 0.00081065 -0.000725024 52
15467 65 C 12.4703 21.3996 52.3323 0.00188873 -0.000212161 -0.000673764 52
15468 66 C 11.791 21.8827 51.0397 -0.00141094 -0.00287833 0.00148344 52
15469 67 C 12.2499 21.1906 49.752 -0.00251247 -0.00188737 0.00344786 52
15470 68 C 13.7027 21.5306 49.3978 0.00321597 -0.00129945 -0.00104861 52
15471 69 F 11.6417 25.4496 71.1696 0.000196368 -0.00291707 -0.00652263 52
15472 70 C 9.81453 19.4313 63.0513 0.000196629 0.000187088 -0.000179001 52
15473 71 C 10.0748 19.9039 61.5894 0.000219132 -0.00339182 0.000187008 52
15474 72 C 9.21027 19.2663 60.4633 0.000356367 0.000688647 -0.000943432 52
15475 73 C 9.63881 19.7674 59.061 -0.00250824 0.00204158 0.00139632 52
15476 74 C 8.68629 19.3377 57.9405 0.00278509 0.00232204 -0.00727601 52
15477 75 C 9.19837 19.7796 56.5853 -0.00430878 1.98334e-05 -0.00223897 52
15478 76 C 8.38792 19.1749 55.4089 -0.0030808 -0.00215548 0.001113 52
15479 77 C 8.89284 19.687 54.0213 0.00431014 0.00316516 0.00222829 52
15480 78 C 8.05459 19.005 52.9092 -0.00391591 -0.000559911 -0.00202215 52
15481 79 C 8.28575 19.5166 51.4644 0.00600312 0.00446146 0.00447685 52
15482 80 C 9.47758 18.7614 50.7995 0.000480091 -0.00119672 -0.00416396 52
15483 81 C 9.58934 19.1428 49.3381 -0.00309923 -0.000697765 0.00420941 52
15484 82 C 12.0963 25.4302 62.5236 0.00288471 0.00429026 0.000436206 52
15485 83 C 11.8971 25.5179 60.9889 0.00180179 0.000847797 0.00590248 52
15486 84 C 12.9397 26.4541 60.2891 -0.00130418 0.000309544 -0.00156012 52
15487 85 C 12.6106 26.9558 58.8577 0.00152319 0.00288557 0.000732133 52
15488 86 C 12.6442 26.0035 57.6621 0.00191758 -0.00147456 0.00236078 52
15489 87 C 12.4684 26.7465 56.3049 0.00306503 0.00345941 0.000909713 52
15490 88 C 12.4189 25.8887 55.0419 0.000366201 -0.00437507 0.000417801 52
15491 89 C 12.3302 26.7508 53.7744 0.0032887 -0.00142238 -0.00362681 52
15492 90 C 12.2418 25.9358 52.51 -0.00349841 -0.00201392 0.0042006 52
15493 91 C 12.1355 26.8143 51.2353 0.00216509 -0.0021333 -0.00235908 52
15494 92 C 12.0333 26.0131 49.9058 0.000919652 -0.00330672 0.00621668 52
15495 93 C 13.3244 25.3157 49.5145 0.00696891 0.00222576 -0.000985236 52
15496 94 C 10.022 25.5999 82.5819 0.00107414 -0.00209389 0.00477942 52
15497 95 C 9.9405 25.1806 84.0745 -0.00194603 -0.00385496 -0.000730297 52
15498 96 C 8.61678 25.5514 84.7485 0.00452595 -0.00215131 0.00647506 52
15499 97 C 8.54521 25.2235 86.2456 0.00118492 0.000218813 -0.00235395 52
15500 98 C 9.41144 26.1373 87.1782 0.00206231 -0.00127964 0.00173306 52
15501 99 C 9.00766 26.0893 88.669 0.000246838 -0.00580354 5.8057e-05 52
15502 100 C 10.0945 25.6043 89.668 0.00128794 -0.00132564 -0.00214636 52
15503 101 C 9.69929 25.8452 91.1558 0.00144472 0.0001088 -0.00318415 52
15504 102 C 10.8026 25.3337 92.1225 0.00316201 -0.00139996 0.00517389 52
15505 103 C 10.7295 25.9494 93.5112 0.00442721 0.00258795 -0.00472469 52
15506 104 C 9.72391 25.4409 94.5549 0.00298456 -0.0024025 0.000209196 52
15507 105 C 10.0683 26.008 95.9619 0.00145298 0.000176687 -0.00281456 52
15508 106 C 15.4269 29.1884 82.5653 0.00190062 -0.00103399 0.00109576 52
15509 107 C 16.8456 29.6819 82.8895 0.00487993 0.000491263 0.00301172 52
15510 108 C 17.0025 30.7475 83.9922 -0.00159535 -0.00386158 0.0032482 52
15511 109 C 16.5989 30.2 85.3335 0.00155161 -0.000595991 0.00325586 52
15512 110 C 17.0759 30.9373 86.5501 6.5983e-05 0.00251519 0.0030774 52
15513 111 C 16.5665 30.3448 87.8863 0.00628382 0.00307387 0.000715098 52
15514 112 C 17.2406 30.9624 89.1174 -0.00427833 0.00218646 0.00187159 52
15515 113 C 16.6094 30.4034 90.4259 -0.00357304 0.00139726 0.00110357 52
15516 114 C 17.3638 30.8275 91.7215 -0.00138617 -0.000422875 0.00219663 52
15517 115 C 16.803 30.187 93.0083 -0.00186675 0.00393314 0.00189802 52
15518 116 C 17.6304 30.6032 94.2531 0.00310071 0.00185777 -0.000567534 52
15519 117 C 17.1209 30.1783 95.6328 -0.000492537 0.000578258 -0.00174311 52
15520 118 C 16.0272 21.7725 82.8201 0.00231825 -0.00125225 -0.0051586 52
15521 119 C 15.9013 21.9127 84.38 0.00144136 -0.00180943 -0.00500445 52
15522 120 C 16.7908 20.954 85.1507 0.00016685 0.0020673 0.00102389 52
15523 121 C 17.0488 21.4384 86.6257 3.07114e-05 -0.0042626 0.00106662 52
15524 122 C 15.9554 21.0384 87.6385 -0.000260453 0.000104122 0.000698684 52
15525 123 C 16.2135 21.6738 89.0679 0.00359834 0.00107768 -0.00127731 52
15526 124 C 17.5545 21.241 89.6453 0.000852035 0.00372445 -0.00518319 52
15527 125 C 17.8515 21.5911 91.1255 0.00386292 0.00162851 -0.00155592 52
15528 126 C 16.7893 20.9769 92.0696 -0.00262098 -0.0013532 0.00476442 52
15529 127 C 17.443 20.6558 93.464 -1.21732e-06 0.00247425 -0.00292639 52
15530 128 C 17.3769 21.8957 94.4494 -0.00111382 0.00217508 0.0034298 52
15531 129 C 17.8588 21.4868 95.8742 -0.00333538 -0.00193223 -0.00495535 52
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15647 245 H 11.7452 25.5864 91.6215 0.00403574 0.00920462 0.012267 52
15648 246 H 11.7272 25.7995 93.942 0.000237895 -0.00368677 0.00281742 52
15649 247 H 10.483 27.0156 93.434 -0.00220498 0.00192989 0.00707231 52
15650 248 H 8.70391 25.7346 94.2779 -0.00489336 -0.0202056 0.0104084 52
15651 249 H 9.80379 24.3514 94.6559 0.00692392 -0.00278011 -0.00705962 52
15652 250 H 11.1065 25.8775 96.2915 -3.44372e-05 -0.00883547 -0.0017341 52
15653 251 H 9.83516 27.0768 96.0445 -0.00996494 -0.00298032 0.00600564 52
15654 252 H 9.38744 25.5071 96.6612 -0.00269243 -0.00153146 -0.00805527 52
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15656 254 H 14.9787 29.0289 83.5537 0.0108463 0.00696691 0.00646365 52
15657 255 H 17.528 28.8574 83.1305 0.0089259 0.00504941 0.00718791 52
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15659 257 H 18.0738 30.9834 83.9877 -0.00266987 0.00106317 0.00831789 52
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15662 260 H 17.0187 29.1887 85.4004 -0.00554444 -0.00353051 0.00310041 52
15663 261 H 18.1714 30.8913 86.5152 7.37048e-05 0.00367459 0.00180077 52
15664 262 H 16.7261 31.977 86.5444 0.0062455 0.004639 0.0103327 52
15665 263 H 15.4859 30.5162 87.9655 0.00592259 0.0081474 -0.0152949 52
15666 264 H 16.7208 29.2588 87.8936 0.00644121 0.00320593 0.0169176 52
15667 265 H 18.2987 30.6746 89.0835 -0.0032574 0.00749501 -0.0113915 52
15668 266 H 17.2096 32.0587 89.0967 0.0016102 0.00201261 -0.0162576 52
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15670 268 H 16.5295 29.3107 90.3713 0.0168307 0.000508873 -0.0108051 52
15671 269 H 18.4282 30.573 91.6455 -0.000614327 0.00880117 -0.0176894 52
15672 270 H 17.2482 31.9155 91.8009 0.0122898 0.000710426 0.00630462 52
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15674 272 H 16.7621 29.0961 92.8999 0.00720721 0.00433386 -0.00551992 52
15675 273 H 18.6279 30.2028 94.0342 0.00106714 -0.00830985 0.00889577 52
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15680 278 H 15.4358 20.898 82.5218 -0.000427047 -0.00383463 0.0077822 52
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15684 282 H 17.7636 20.8201 84.6617 0.000595981 0.00544875 0.000941708 52
15685 283 H 16.3038 19.9738 85.2235 0.00498568 -5.79814e-05 0.00462771 52
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15687 285 H 18.026 21.0262 86.906 0.00858801 0.0193119 0.00586827 52
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15690 288 H 15.4117 21.3483 89.742 0.00388922 0.00942577 0.00308677 52
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15700 298 H 16.3587 22.2979 94.5194 -0.00600414 -0.00980292 0.00117148 52
15701 299 H 18.0692 22.678 94.1145 0.000865127 0.00280733 0.00896545 52
15702 300 H 18.9474 21.3518 95.8648 -0.00209918 0.00759622 0.00230631 52
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15705 1 C 20.035 21.9543 79.1239 0.00104076 -0.00389617 0.002428 53
15706 2 C 20.1177 21.8198 77.739 0.00324185 -0.0033413 -0.000471921 53
15707 3 C 19.5314 20.6738 77.1572 0.00199694 -0.000903452 0.00156375 53
15708 4 C 18.8889 19.7198 77.9422 -0.00169513 -0.00238942 0.00316037 53
15709 5 C 18.8604 19.8535 79.3643 0.00146403 -0.000942763 -0.000181597 53
15710 6 C 19.4221 21.0094 79.9587 -0.00658485 0.00195189 0.000335609 53
15711 7 C 14.2973 18.6122 79.1987 -0.000126088 -0.00118728 -0.0020294 53
15712 8 C 14.3402 18.575 77.8094 -0.00248126 0.00236589 0.000993588 53
15713 9 C 15.599 18.5792 77.1706 0.00248647 0.0041099 0.0010759 53
15714 10 C 16.7926 18.5849 77.9352 -0.00171605 -0.00013899 -0.002 53
15715 11 C 16.7364 18.6749 79.3624 0.00124668 0.00480976 -0.0036297 53
15716 12 C 15.4755 18.6288 80.0101 0.00127072 0.00582036 0.00169325 53
15717 13 C 19.899 15.232 79.5831 0.000275039 0.00373768 0.00226773 53
15718 14 C 19.8567 15.1245 78.1643 -0.000629318 0.00617649 0.00475933 53
15719 15 C 19.359 16.1921 77.4125 0.000168948 -0.00580433 -0.000953279 53
15720 16 C 18.826 17.2804 78.115 -0.000295082 0.00466175 0.00292488 53
15721 17 C 18.2239 18.5085 77.4007 -0.00144202 0.00451486 0.00118235 53
15722 18 O 19.58 16.4579 81.6543 -0.00168334 0.00260637 0.00130585 53
15723 19 O 15.3408 18.6426 81.4076 -0.00183213 -0.000924667 0.00275848 53
15724 20 O 19.3241 21.1968 81.3149 -0.00185917 -0.00807342 0.00415578 53
15725 21 C 19.4106 16.3667 80.2707 -0.000114949 -0.00360628 0.00339175 53
15726 22 C 18.1837 18.3703 75.9242 0.00604902 0.00355539 0.00193475 53
15727 23 C 17.9915 18.1907 74.7435 0.00353544 0.00201805 -0.00168063 53
15728 24 C 17.6671 17.8121 73.4146 -0.000660067 -0.00220302 -0.000731648 53
15729 25 C 17.0306 18.6478 72.5098 0.00211288 -0.0011532 -0.00299922 53
15730 26 C 16.6917 18.1762 71.2521 0.00303625 -0.0016322 0.0017753 53
15731 27 C 16.9812 16.8666 70.9138 0.000618139 -0.00391562 0.000351707 53
15732 28 C 17.6522 16.0241 71.8079 0.00193918 0.00335801 -0.000426398 53
15733 29 C 17.9953 16.4978 73.0573 0.00442776 -0.000569303 0.00309981 53
15734 30 C 16.6627 16.4094 69.6191 0.0010923 0.000213261 -0.000571232 53
15735 31 C 16.4952 16.0698 68.4767 0.00160851 -0.0022503 -0.00197556 53
15736 32 C 14.6 12.4599 66.7476 0.000260865 0.00172223 -0.00108223 53
15737 33 C 14.6731 12.2813 65.3551 0.00266538 -0.00128851 -0.00183914 53
15738 34 C 15.2115 13.3162 64.5514 -0.0011022 -0.000422512 0.000602382 53
15739 35 C 15.6306 14.5041 65.1559 0.00174716 -0.00135584 0.00114822 53
15740 36 C 15.6209 14.6249 66.5776 0.000307378 -0.00125835 -0.000955464 53
15741 37 C 15.0304 13.6315 67.3623 0.00196349 -0.00224815 -0.00244346 53
15742 38 C 16.3365 15.8713 67.049 -0.00147074 -0.00310364 0.00312487 53
15743 39 C 20.1151 15.5463 66.297 -0.00034632 0.000819217 0.00430085 53
15744 40 C 20.0846 15.4022 64.9075 -0.00505099 0.00145799 -0.00598524 53
15745 41 C 18.8714 15.513 64.2205 -0.000658382 -0.000568155 0.00105352 53
15746 42 C 17.6874 15.6827 64.9667 -0.00279231 -0.00212494 -0.000516009 53
15747 43 C 17.7218 15.7441 66.372 -0.00144089 0.000928814 0.0014103 53
15748 44 C 18.9611 15.6881 67.0284 -0.00197069 0.00108306 -0.00337881 53
15749 45 C 14.3556 19.1558 66.2902 -0.00104851 0.000210784 -0.00248919 53
15750 46 C 14.3195 19.0793 64.8871 0.00288451 0.004789 0.00589008 53
15751 47 C 14.9088 17.9922 64.2166 0.00118509 0.00313092 0.00240579 53
15752 48 C 15.5408 16.938 64.9815 -0.00202312 -0.00288208 -0.00374997 53
15753 49 C 16.2477 15.7033 64.4233 -0.000311721 -0.00327981 0.00365006 53
15754 50 C 15.5829 17.0105 66.3868 0.00160823 0.00462159 0.00109388 53
15755 51 C 14.9684 18.1204 67.0167 -0.00285018 -0.00114922 -0.000587947 53
15756 52 O 18.8725 15.4829 62.8499 0.00312778 0.00262865 -0.00213466 53
15757 53 O 15.3752 13.1759 63.2158 -0.00287779 -0.00068156 0.000997783 53
15758 54 O 14.7186 17.8831 62.8379 -0.0057001 -0.00188808 0.00180357 53
15759 55 C 18.119 18.663 80.0677 0.00384225 -0.00241785 8.81318e-05 53
15760 56 C 18.7859 17.3524 79.5419 -0.0037964 -0.000470403 -0.00185507 53
15761 57 C 18.5255 16.6739 62.1674 -5.06811e-05 0.00358374 -0.00248561 53
15762 58 C 17.7616 16.4191 60.8652 -0.00268033 0.00318687 -0.000289962 53
15763 59 C 18.6081 16.1098 59.6137 0.00501639 -0.000631144 0.00264383 53
15764 60 C 18.2674 14.8073 58.9274 0.00291331 -0.00144619 -0.00249887 53
15765 61 C 16.8303 14.7128 58.3767 -0.00354052 -0.000426177 -0.00525058 53
15766 62 C 16.6777 15.3467 56.9822 0.00143962 -0.000278466 0.00141453 53
15767 63 C 17.3875 14.5946 55.8822 -0.00109529 -0.00205569 -0.0044933 53
15768 64 C 16.9735 15.1421 54.5087 -1.86257e-05 -0.00246941 0.00564383 53
15769 65 C 17.6056 14.3902 53.2968 0.00237942 0.00033012 0.00228987 53
15770 66 C 17.1745 14.9678 51.9645 -0.0017681 -0.00203095 0.0023879 53
15771 67 C 17.7545 14.2022 50.7916 -0.00147506 0.00310189 0.00298629 53
15772 68 C 17.2752 14.9811 49.5158 -0.00175725 -0.00489305 0.00697888 53
15773 69 F 16.0243 18.9844 70.3784 0.000448766 -0.00182813 0.000544325 53
15774 70 C 16.1597 12.1572 62.6474 0.00111262 0.00256098 -0.00273346 53
15775 71 C 16.8722 12.6932 61.3928 -9.62093e-05 9.34958e-05 0.000428026 53
15776 72 C 17.0808 11.6242 60.2813 0.00110912 -0.00546373 0.0027944 53
15777 73 C 17.343 10.1972 60.8031 -0.00207075 0.00150972 0.00121275 53
15778 74 C 18.07 9.33753 59.8015 0.00186737 0.00166691 -0.00042245 53
15779 75 C 17.3484 9.03664 58.4654 0.00139697 -0.00136943 0.000452923 53
15780 76 C 17.4705 10.0864 57.3146 0.00185127 -0.00401964 -0.00416516 53
15781 77 C 16.8711 9.60542 56.0034 -0.00157652 -0.000791078 0.00106922 53
15782 78 C 17.3461 10.4141 54.7291 0.00174008 0.00348584 -0.00189231 53
15783 79 C 16.7688 9.77165 53.4535 0.000946664 0.000275448 0.00020926 53
15784 80 C 17.1398 10.4613 52.1261 -0.00110871 0.00166648 0.00282317 53
15785 81 C 16.5795 9.6699 50.9468 -0.00467727 -0.000598553 -0.00198913 53
15786 82 C 13.3984 17.5652 62.3593 0.00138167 -0.00258972 0.00220667 53
15787 83 C 13.2411 17.9604 60.9156 0.00289749 0.000550103 0.00215383 53
15788 84 C 14.0478 17.0562 59.9582 0.00386146 0.00160578 -0.00373454 53
15789 85 C 13.965 17.5683 58.4919 -0.00238317 -0.00316229 1.41249e-05 53
15790 86 C 12.7109 17.0581 57.7625 -0.000612985 0.00290197 -0.0056911 53
15791 87 C 12.7794 17.4762 56.3023 0.00169079 0.00220271 -0.00369323 53
15792 88 C 11.6623 16.8841 55.4229 0.000653373 -0.00146964 -0.00266781 53
15793 89 C 11.7916 17.4078 53.9855 0.000181918 0.0013805 -0.00425397 53
15794 90 C 12.8188 16.6445 53.1012 0.000832817 -0.00237122 0.00204709 53
15795 91 C 12.9223 17.2549 51.6811 -0.00640916 0.000622537 0.000128098 53
15796 92 C 13.9127 16.5526 50.8019 -0.00199976 -0.00109092 -9.68014e-05 53
15797 93 C 13.7669 16.9734 49.3501 0.00269967 -0.000425787 0.00380885 53
15798 94 C 14.0641 18.8953 81.9912 0.00398059 -3.635e-05 0.000659507 53
15799 95 C 14.0016 18.7139 83.492 -0.0011609 0.00774925 -0.000311381 53
15800 96 C 12.6042 19.1234 84.0103 -0.00277118 0.000594499 0.00215079 53
15801 97 C 12.2609 18.7346 85.4329 -0.00287472 0.000981386 0.00272959 53
15802 98 C 13.2774 19.1007 86.4924 0.00372286 0.000474654 0.00273047 53
15803 99 C 12.6003 18.9415 87.8748 -0.000352443 -0.00507527 0.00206086 53
15804 100 C 13.4743 19.0752 89.1168 -0.00406891 0.00105556 0.000180976 53
15805 101 C 12.6185 19.008 90.398 7.93706e-07 -0.00522008 0.00127179 53
15806 102 C 13.43 18.8826 91.6974 0.00403228 -0.000708609 0.00143957 53
15807 103 C 12.5057 19.23 92.9138 -0.00770295 0.00188893 -0.00284084 53
15808 104 C 12.9874 18.8572 94.3364 -7.26544e-05 0.00144054 0.00179138 53
15809 105 C 14.4154 19.1869 94.6798 -0.00520957 0.000447143 0.00235998 53
15810 106 C 19.643 22.4838 81.8813 -0.000149752 0.00226497 0.00125518 53
15811 107 C 19.5927 22.4115 83.3876 -0.00320784 0.00103408 0.00232519 53
15812 108 C 20.2843 23.4858 84.2446 0.000477502 0.000609096 -0.000146224 53
15813 109 C 20.4409 22.9535 85.7034 -0.00290918 0.00251825 0.00210642 53
15814 110 C 20.6736 23.9897 86.809 -0.0042023 -0.0052394 0.00143681 53
15815 111 C 20.9829 23.2984 88.1416 0.00179504 -0.00401129 -0.00402019 53
15816 112 C 20.7293 24.1293 89.4563 -0.002032 -0.00440544 0.000511144 53
15817 113 C 21.0736 23.3058 90.6968 -0.00246038 0.00235248 -0.0010751 53
15818 114 C 20.8538 24.0867 92.0139 0.00130086 0.00107704 0.000642801 53
15819 115 C 21.1195 23.1304 93.1869 0.00478751 -0.00146807 0.00102989 53
15820 116 C 20.9332 23.7459 94.6051 0.00197955 -0.0025736 0.00180612 53
15821 117 C 21.6477 22.9521 95.7081 0.00130773 -0.00438065 0.00608203 53
15822 118 C 19.9905 15.2508 82.3542 -0.000497154 0.00235959 -0.000361069 53
15823 119 C 20.1495 15.3934 83.9321 -0.00140655 0.000867087 0.00278153 53
15824 120 C 20.9605 14.1962 84.4259 0.00137174 -0.00295061 0.00121568 53
15825 121 C 21.4563 14.4132 85.8573 -0.00626544 -0.00310571 0.00429099 53
15826 122 C 20.4927 14.044 87.0353 0.00076189 0.00027631 -0.00215451 53
15827 123 C 21.2087 14.3663 88.3436 -0.00264353 -0.00169162 0.000699186 53
15828 124 C 20.4759 14.0887 89.6342 -0.00372382 -0.000681853 0.00457106 53
15829 125 C 21.3379 14.3334 90.8929 -0.00103311 -0.00087233 0.000251865 53
15830 126 C 20.5517 14.1739 92.1936 -0.000207686 0.000176606 -0.000701829 53
15831 127 C 21.4328 14.3732 93.4099 0.000815144 0.00257436 -0.00322529 53
15832 128 C 20.6556 14.0509 94.6757 0.00251025 5.18612e-05 0.00198457 53
15833 129 C 21.4501 14.3378 95.9503 6.97307e-05 0.00234237 -0.000368472 53
15834 130 F 16.6746 19.8911 72.8753 0.000403084 -0.000284164 0.00169753 53
15835 131 H 20.4855 22.8482 79.5452 0.012063 -0.00786185 -0.00094564 53
15836 132 H 20.6324 22.5369 77.1064 -0.000165752 -0.00343302 -0.0033527 53
15837 133 H 19.6025 20.5826 76.0774 0.00690731 0.00156274 0.00167244 53
15838 134 H 13.3141 18.6385 79.659 -0.00325264 -0.0117175 -0.00813185 53
15839 135 H 13.389 18.5854 77.2855 0.00678337 0.00848939 -0.0156174 53
15840 136 H 15.6364 18.5399 76.086 0.00157871 0.0139029 0.000693052 53
15841 137 H 20.4029 14.423 80.1038 -0.00119778 5.20146e-05 -0.00203054 53
15842 138 H 20.2294 14.2264 77.6805 -0.0169476 0.0010597 0.00166241 53
15843 139 H 19.3941 16.2175 76.3273 -0.0134999 0.011056 -0.00105148 53
15844 140 H 17.8155 14.9734 71.5872 -0.0108079 0.00386455 -0.0122498 53
15845 141 H 18.4448 15.841 73.7962 0.017513 0.00492514 1.30374e-05 53
15846 142 H 14.2703 11.6349 67.3722 0.00161285 -0.00138477 -0.00446618 53
15847 143 H 14.3258 11.3497 64.9182 -0.00804911 0.00135561 0.00102485 53
15848 144 H 14.9902 13.7415 68.4419 -0.00840945 0.00532203 -0.00359738 53
15849 145 H 21.0522 15.4867 66.8427 -0.00104935 -0.000143184 0.00540374 53
15850 146 H 20.9868 15.2107 64.3341 -0.00609016 -0.00533757 -0.00535869 53
15851 147 H 19.0217 15.7745 68.1093 -0.0140985 0.00956664 -0.00336035 53
15852 148 H 13.835 19.9749 66.7776 0.0056104 -0.00201372 0.00829922 53
15853 149 H 13.8084 19.8463 64.3127 0.00445876 0.000495274 -0.00125761 53
15854 150 H 16.2099 15.587 63.3331 -0.00927559 -0.00877272 0.00454725 53
15855 151 H 15.0144 18.2367 68.0955 0.00756636 -0.0100039 -7.73138e-05 53
15856 152 H 18.0382 18.7582 81.1576 0.00388905 -0.016239 0.00129222 53
15857 153 H 17.852 17.2677 62.7976 0.000675446 -0.00220875 0.00374584 53
15858 154 H 19.4315 17.2338 61.9049 0.00400818 -0.00167473 0.000298281 53
15859 155 H 17.1882 17.3111 60.5843 -0.00477959 0.00321024 0.0041048 53
15860 156 H 17.0591 15.586 60.9911 -0.0043825 0.00436768 -0.00196105 53
15861 157 H 19.6651 16.1093 59.9071 0.00676425 -0.00422342 -0.00367478 53
15862 158 H 18.5026 16.9073 58.8678 0.000486987 -0.00236495 0.00142758 53
15863 159 H 18.413 13.9752 59.6272 0.00642545 -0.000649968 -0.00227895 53
15864 160 H 19.0409 14.6116 58.1745 0.000753812 0.00212977 -0.00562943 53
15865 161 H 16.161 15.1955 59.0995 -0.0020334 0.00213128 -0.00556161 53
15866 162 H 16.5224 13.6602 58.3507 0.0139089 -0.00596699 0.0117716 53
15867 163 H 17.0606 16.3702 57.0788 0.0124889 -0.00336687 -0.010045 53
15868 164 H 15.6024 15.4242 56.7796 0.00206658 -0.00862807 -0.00503421 53
15869 165 H 17.096 13.5405 55.9668 -0.0019246 -0.00113822 0.00414783 53
15870 166 H 18.4747 14.6509 56.017 -0.00143617 -0.0059815 -8.91126e-05 53
15871 167 H 17.1881 16.2166 54.4556 0.00574719 -0.0037638 0.00283803 53
15872 168 H 15.8814 15.0694 54.4356 -0.000441942 0.000200673 0.00929315 53
15873 169 H 17.3091 13.3353 53.3476 -0.00228386 0.000840798 -0.014476 53
15874 170 H 18.7001 14.3937 53.3712 0.00258717 -0.000784933 -0.000710769 53
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16020 14 C 24.0996 22.1146 78.644 0.00209378 -0.000541252 0.00306 54
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16022 16 C 22.8335 24.161 78.5122 -0.00188932 -0.00108739 -0.000190665 54
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16031 25 C 22.4097 23.1329 73.2164 -0.0014765 -0.000401726 0.0010467 54
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16033 27 C 20.8974 23.0735 71.3564 -0.00217276 -0.00266137 0.00366019 54
16034 28 C 19.9955 23.899 71.9943 0.000604236 0.000149932 -0.00278941 54
16035 29 C 20.3304 24.4576 73.2274 0.0013681 0.00123995 0.00279244 54
16036 30 C 20.5579 22.6975 70.0303 0.00467985 0.00281045 -0.00013581 54
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16044 38 C 20.183 22.4211 67.3605 -0.00178753 0.00347632 -0.00090198 54
16045 39 C 23.9693 22.5101 66.443 -0.00187989 -0.0006051 0.00466849 54
16046 40 C 23.8948 22.4319 65.0321 0.00141531 -0.00291862 -0.0024816 54
16047 41 C 22.6479 22.3309 64.4165 0.00100328 0.00214378 0.00197208 54
16048 42 C 21.5021 22.3683 65.2164 0.00243177 0.000246449 0.00112486 54
16049 43 C 21.5649 22.4073 66.632 0.00132205 0.00185543 9.1505e-05 54
16050 44 C 22.8467 22.4762 67.2667 0.00102026 0.000849862 -0.00273168 54
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16053 47 C 18.9982 24.7913 64.6615 -0.00380126 8.56785e-05 0.00366392 54
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16056 50 C 19.4387 23.6474 66.7823 0.00137357 -0.00052172 0.00314925 54
16057 51 C 18.8967 24.7235 67.5275 -0.000464717 0.00579707 -0.000403858 54
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16063 57 C 22.0107 21.4219 62.198 0.00177345 -0.00742415 -0.00408354 54
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16065 59 C 20.8104 21.6809 59.9929 -0.00482775 -0.00118884 -0.00299807 54
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16074 68 C 20.2061 21.603 49.3678 -0.000782717 -0.00373383 0.00111688 54
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16079 73 C 16.5882 20.2393 58.6842 -0.000349968 0.00342191 0.00164428 54
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16088 82 C 19.6533 26.1799 62.6754 -0.000252762 0.000981659 0.000908567 54
16089 83 C 20.538 25.9136 61.4385 -0.00208799 0.00184178 0.00481285 54
16090 84 C 19.8208 25.6281 60.1334 -0.00107886 -0.00446403 0.000799352 54
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16092 86 C 20.2088 25.8237 57.5515 -0.00170777 0.0047021 0.00169 54
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16095 89 C 20.2085 27.2507 53.9259 0.00182485 0.000837306 0.001203 54
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16097 91 C 20.7253 26.0536 51.6911 -0.00339234 0.00221506 -0.00350099 54
16098 92 C 20.2832 25.8085 50.2091 0.00158899 0.000819042 0.00225315 54
16099 93 C 19.892 27.1155 49.4329 -0.00503647 -0.00409558 -0.000357069 54
16100 94 C 18.4356 26.299 82.4701 -0.00408263 -0.000452272 0.00155622 54
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16311 3 C 27.3826 20.6632 77.8208 -0.000453253 -0.000628494 -0.00128644 55
16312 4 C 26.7569 19.7627 78.7183 0.00232816 -0.00295168 0.00118619 55
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16318 10 C 24.7157 18.5472 78.7778 0.00252575 0.00168597 0.00138889 55
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16325 17 C 26.1602 18.4653 78.2647 -0.000774311 0.00336045 0.00073562 55
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16558 250 H 21.271 17.9073 95.9344 -0.00210585 0.000162629 0.000243442 55
16559 251 H 22.8796 18.6966 95.7377 0.000357087 0.00178086 0.00335702 55
16560 252 H 21.6373 19.4361 96.7162 -0.00444867 -0.00143004 0.00386289 55
16561 253 H 28.9516 22.815 82.2196 0.00144376 -0.0225784 0.00255943 55
16562 254 H 27.3493 23.4956 82.1337 -0.000480613 -0.00122056 -0.00159261 55
16563 255 H 26.9875 22.364 84.49 -0.00591281 0.00509859 -0.00484142 55
16564 256 H 28.6587 21.7734 84.3048 0.00434851 0.00651536 0.00774464 55
16565 257 H 29.6916 23.8913 84.5359 -0.00281584 0.0119344 -0.0118235 55
16566 258 H 28.2332 24.8174 84.3836 0.014217 0.00861262 0.00161245 55
16567 259 H 28.5463 24.8701 86.6967 0.00906031 -0.00465507 0.0123929 55
16568 260 H 27.419 23.5269 86.5006 0.00400884 -0.00322725 0.00656483 55
16569 261 H 29.5742 21.956 86.4257 0.00271724 -0.00470819 0.0145479 55
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16571 263 H 28.0623 21.8963 88.3306 -0.00887137 0.00822985 -0.00945984 55
16572 264 H 29.8037 21.7104 88.695 -0.0104069 -0.00623239 0.00453433 55
16573 265 H 29.6571 24.255 89.4386 0.00889708 -0.0137948 -0.00429127 55
16574 266 H 27.9025 24.0142 89.3655 -0.00466378 -0.00352966 -0.00118767 55
16575 267 H 28.0514 22.09 90.89 -0.000299548 -0.00107234 -0.00498596 55
16576 268 H 29.8305 22.2231 90.9128 0.00178422 -0.00711888 -0.0180346 55
16577 269 H 29.8422 24.4266 91.9912 0.00027452 -0.0017961 -0.00959123 55
16578 270 H 28.0748 24.4282 92.1155 0.00179413 0.00208292 -0.00926991 55
16579 271 H 28.3822 22.2397 93.4319 0.00957935 -0.00664353 0.00215801 55
16580 272 H 30.0908 22.575 93.4275 -0.00103223 0.00153264 -0.0052259 55
16581 273 H 29.6399 24.7522 94.5988 -0.00111079 0.00024297 0.00836594 55
16582 274 H 27.9092 24.3809 94.766 0.00195896 0.0102722 -0.00499401 55
16583 275 H 30.2649 22.9246 95.99 -0.00885869 -0.0213421 0.00553364 55
16584 276 H 29.0226 23.8198 96.8756 0.00190905 0.00656491 -0.000335321 55
16585 277 H 28.5854 22.2872 96.0444 0.00265521 -0.00296799 0.0132292 55
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16587 279 H 26.855 14.7728 83.4485 -0.00645068 -0.00035404 -0.00879834 55
16588 280 H 29.2836 16.3421 84.542 0.00303425 0.000626793 -0.00640519 55
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16593 285 H 27.1232 14.3855 86.0638 -0.0067614 0.0176801 0.0238663 55
16594 286 H 27.6298 15.3593 87.9783 -0.00656038 0.0106942 -0.00942963 55
16595 287 H 28.8685 16.1363 86.9373 0.000141298 0.00255753 0.00254383 55
16596 288 H 30.573 14.8159 88.0572 0.00184246 0.00185227 0.00282046 55
16597 289 H 29.4304 13.5415 88.5005 0.0125401 -0.00296183 -0.00395679 55
16598 290 H 28.292 15.3599 90.0236 -0.000542841 -0.0105464 0.00747533 55
16599 291 H 29.8277 16.242 89.8196 -0.0004743 4.82668e-05 -0.0136404 55
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16605 297 H 29.8732 13.3519 93.6051 -0.011838 0.00613516 0.0115303 55
16606 298 H 30.6821 15.9503 94.992 -0.00270842 0.00612679 0.0130843 55
16607 299 H 30.7357 14.3603 95.6758 0.011708 0.0235321 0.0104128 55
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16609 301 H 28.3315 14.0554 95.42 -0.0154801 0.00398846 -0.0107841 55
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16611 1 C 31.6819 28.7824 79.9961 -0.00249791 0.000231799 0.000678738 56
16612 2 C 31.7433 28.7071 78.5994 0.000342561 0.000252581 0.00278107 56
16613 3 C 31.1701 27.6264 77.9497 0.00115665 -0.00249764 0.00137133 56
16614 4 C 30.5623 26.6148 78.6753 -0.00241986 0.00163223 -0.0010544 56
16615 5 C 30.4804 26.6987 80.09 0.0076324 -0.00477904 0.00617189 56
16616 6 C 30.9993 27.7984 80.7655 0.00028557 0.00311764 0.00416368 56
16617 7 C 25.9898 25.7315 80.0003 0.000672453 0.0014245 -0.00253332 56
16618 8 C 26.0136 25.5012 78.6219 0.00240395 0.00599207 -0.000932838 56
16619 9 C 27.2054 25.3533 77.9469 0.00425114 0.00443455 0.00179763 56
16620 10 C 28.4033 25.3831 78.6925 -0.00187611 0.00567771 0.00180872 56
16621 11 C 28.4158 25.4965 80.1142 -0.00185997 -0.00132632 -0.0019393 56
16622 12 C 27.183 25.705 80.7881 0.00166923 0.00135173 0.000573384 56
16623 13 C 31.7982 22.1226 80.1191 -0.00407233 -0.000746311 0.00162961 56
16624 14 C 31.7156 22.1002 78.7388 -0.00502856 0.00426751 0.000693189 56
16625 15 C 31.0698 23.1328 78.0689 0.00314156 0.00103434 -0.00109074 56
16626 16 C 30.4966 24.2247 78.8053 -0.00103072 5.10922e-05 -0.00121927 56
16627 17 C 29.8315 25.3878 78.1259 0.00443664 0.00307646 0.0014746 56
16628 18 O 31.3729 23.0716 82.2741 0.00108131 -0.0014579 0.00183954 56
16629 19 O 27.026 25.8542 82.168 -0.00086086 0.00332942 -0.00134929 56
16630 20 O 30.8913 27.8734 82.1253 0.000701121 -0.000841845 -0.000572282 56
16631 21 C 31.2508 23.1958 80.8954 -0.00415552 -0.00175626 0.000462688 56
16632 22 C 29.8107 25.2842 76.6375 0.00223618 -0.00311738 -0.00121455 56
16633 23 C 29.6483 24.9982 75.4866 0.0036821 -0.00142158 0.00330028 56
16634 24 C 29.3453 24.4938 74.173 -0.00270757 -0.00135524 0.00264105 56
16635 25 C 28.5254 25.2737 73.3245 0.00238575 -0.00390164 -0.00274563 56
16636 26 C 28.0373 24.7118 72.1152 -0.00322238 -0.00237602 -0.00166886 56
16637 27 C 28.5287 23.4571 71.7281 0.000939237 -0.00217764 0.000284104 56
16638 28 C 29.3999 22.7281 72.5517 -0.000490616 3.38981e-05 0.00179638 56
16639 29 C 29.7551 23.2294 73.8065 5.98253e-05 0.00219029 0.0012671 56
16640 30 C 28.3833 22.9799 70.3966 -0.00207369 -0.000681171 -0.00206915 56
16641 31 C 28.261 22.7264 69.2099 0.00239998 0.00311521 -0.00304906 56
16642 32 C 26.0098 19.3042 67.418 0.00102159 -0.000435971 -0.000301028 56
16643 33 C 25.9526 19.2499 65.9987 0.00258066 -0.00273904 0.000276603 56
16644 34 C 26.5815 20.2032 65.2026 6.68395e-05 0.000773524 -0.0027094 56
16645 35 C 27.2625 21.2538 65.8259 0.000937243 -0.00122469 0.00273387 56
16646 36 C 27.3318 21.3511 67.2263 0.00182095 -0.00508851 0.00199532 56
16647 37 C 26.6889 20.3903 68.0332 -0.00288181 -0.00233908 0.000753163 56
16648 38 C 28.0849 22.5846 67.7378 0.00433889 -0.00290357 -0.00119336 56
16649 39 C 31.8858 22.5916 66.8263 0.000621527 -0.0056685 -0.00107488 56
16650 40 C 31.7644 22.4607 65.4212 0.0003278 -0.00184861 0.0041469 56
16651 41 C 30.5126 22.4496 64.8178 0.00228872 0.000985609 -0.00103225 56
16652 42 C 29.358 22.3708 65.6187 0.0023651 -0.00293312 0.000804491 56
16653 43 C 29.4605 22.5465 67.0165 0.000619442 -0.00158776 -0.00120682 56
16654 44 C 30.7263 22.6976 67.6228 -0.00161929 -0.0025249 -0.00183608 56
16655 45 C 26.2051 25.9041 67.0289 0.000530059 -0.00433125 -0.00329758 56
16656 46 C 26.1615 25.8209 65.6117 -0.00150338 0.00345188 -0.000749151 56
16657 47 C 26.7211 24.7469 64.9131 0.00151625 0.000579422 0.000510383 56
16658 48 C 27.3533 23.7062 65.6519 0.00415745 0.00166971 -0.00207245 56
16659 49 C 27.9388 22.4144 65.0797 0.000285711 -0.000503615 0.00653115 56
16660 50 C 27.3438 23.7405 67.0717 -0.00229107 0.00418536 -0.00174811 56
16661 51 C 26.7328 24.8297 67.7296 -0.000150109 -0.000316824 0.000602924 56
16662 52 O 30.2619 22.6428 63.5087 0.00158612 0.000533562 -0.0018755 56
16663 53 O 26.6438 20.0059 63.8326 -0.000531083 -0.00519537 0.00178282 56
16664 54 O 26.6843 24.8872 63.5297 0.00508971 0.000331419 0.00357614 56
16665 55 C 29.7966 25.4852 80.7621 0.00247068 -0.000790947 0.00282121 56
16666 56 C 30.5077 24.2282 80.2198 -0.00114951 0.00293871 -0.00329196 56
16667 57 C 30.7572 21.7387 62.5529 -0.000375855 0.000238793 -0.0050251 56
16668 58 C 29.764 21.9407 61.3825 0.00212007 -0.00181944 -0.000976282 56
16669 59 C 30.3421 21.4542 60.071 -0.000492466 0.00294469 -0.000999429 56
16670 60 C 29.4123 21.8769 58.9507 0.00135649 -0.00292897 0.00131638 56
16671 61 C 29.9027 21.4303 57.5643 0.000842084 -0.00248211 -0.000283314 56
16672 62 C 28.8865 21.8689 56.4795 -0.00496559 -0.00238394 0.0030074 56
16673 63 C 29.3222 21.4351 55.0732 -0.0022095 -0.00499099 0.00183069 56
16674 64 C 28.2556 21.713 54.0331 0.000584464 0.000649568 -0.000133288 56
16675 65 C 28.9433 22.0009 52.6855 0.00124826 0.00228275 -0.00457866 56
16676 66 C 28.003 21.9437 51.5014 -0.00186715 -0.000169673 -0.00136923 56
16677 67 C 28.7141 22.0824 50.1618 0.00423639 0.000917111 2.98243e-05 56
16678 68 C 27.7617 21.9536 48.9602 0.0011631 -0.000145161 -9.85905e-05 56
16679 69 F 27.3068 25.4894 71.2961 -0.00459139 -0.00368446 0.00285396 56
16680 70 C 25.4356 20.0033 63.07 0.00149694 0.00196322 0.00127915 56
16681 71 C 25.5553 21.1191 61.9599 0.00121183 0.000420073 0.00226084 56
16682 72 C 26.1571 20.6699 60.616 -0.00104666 -0.000613079 0.00107728 56
16683 73 C 25.1712 19.6936 59.9143 0.0014033 -0.000824052 -0.00137254 56
16684 74 C 25.428 19.4861 58.397 -0.00056062 -0.00189424 -0.00160835 56
16685 75 C 24.9817 20.6773 57.5185 0.00185085 0.000463152 0.00181329 56
16686 76 C 24.848 20.1952 56.0369 0.000807698 -0.0018728 0.00528155 56
16687 77 C 24.393 21.3099 55.09 -0.00104266 -0.000354597 -0.0015097 56
16688 78 C 23.8596 20.785 53.7259 0.000750535 -0.00407839 0.000746986 56
16689 79 C 25.0206 20.6008 52.6856 -0.00367201 0.001204 0.00153996 56
16690 80 C 24.4671 20.1247 51.325 -0.00141697 0.00322449 -0.000665523 56
16691 81 C 23.8526 18.7321 51.4428 0.00266237 -0.00191217 -0.00331392 56
16692 82 C 27.7702 24.5562 62.6743 -0.00121485 0.000514004 0.00255471 56
16693 83 C 27.9553 25.6381 61.5885 -0.000838413 0.000580416 -0.000181609 56
16694 84 C 27.8145 25.2221 60.1169 0.00022514 -0.00019735 -0.00170428 56
16695 85 C 28.7482 26.0118 59.2168 -4.3633e-05 -0.00313941 0.00218718 56
16696 86 C 28.372 25.9171 57.6965 -0.00286771 -0.00194737 0.00105558 56
16697 87 C 29.4783 26.4181 56.7873 -0.00787741 0.000419687 0.000963869 56
16698 88 C 28.977 26.58 55.3419 0.00122339 0.00231657 -0.000933187 56
16699 89 C 28.6958 25.2581 54.6495 -0.00269209 0.00608687 0.00310511 56
16700 90 C 28.0212 25.5261 53.2959 -0.000187632 0.00205367 -0.00201648 56
16701 91 C 29.0128 25.8548 52.1428 -3.10267e-05 0.00185115 -0.00451097 56
16702 92 C 28.3013 25.8788 50.7735 -0.00116513 0.00332181 0.000559188 56
16703 93 C 29.2349 26.1814 49.535 0.00200069 -0.000728582 6.78376e-05 56
16704 94 C 25.7221 25.6553 82.7464 -0.00138269 0.00315578 -0.00195391 56
16705 95 C 25.6816 25.6657 84.3084 -0.000991967 0.00387733 0.00108617 56
16706 96 C 24.2613 25.8808 84.9307 -0.000533044 0.00348939 0.000286098 56
16707 97 C 24.2439 26.1309 86.4737 -0.00130168 0.00343152 -0.00141399 56
16708 98 C 24.6586 24.857 87.2372 0.00137372 -0.000622292 0.00238526 56
16709 99 C 24.6613 24.9756 88.7536 -0.00290126 0.000943958 0.000245205 56
16710 100 C 25.0719 26.3977 89.3457 0.00186347 -0.00207896 0.00306417 56
16711 101 C 25.5954 26.3654 90.8256 0.00219874 0.00144102 0.00484423 56
16712 102 C 24.4892 25.9632 91.8835 -0.00222907 0.00173348 -0.00347146 56
16713 103 C 25.1334 25.8479 93.2804 -0.00325519 -0.00506067 0.00280148 56
16714 104 C 24.1053 25.562 94.3622 0.000847091 -0.00514448 -0.00111876 56
16715 105 C 24.7334 25.2639 95.7345 -0.00101436 -0.00129953 0.00163444 56
16716 106 C 30.9204 29.0747 82.9274 -0.00254481 0.000608866 -0.000671849 56
16717 107 C 32.3305 29.5083 83.2885 0.00344537 -0.000608578 0.00292037 56
16718 108 C 32.3144 30.3347 84.5915 0.00190796 5.28186e-05 0.00101136 56
16719 109 C 32.2592 29.5303 85.913 0.00209026 0.000662284 0.000913175 56
16720 110 C 32.254 30.4512 87.1282 -0.00220463 0.000183793 0.00185444 56
16721 111 C 32.3127 29.6649 88.4882 0.00412263 -0.000381722 -0.00047133 56
16722 112 C 32.346 30.5895 89.7396 0.000118892 -0.00013717 -0.000373534 56
16723 113 C 32.4095 29.7369 91.024 -0.00271484 0.000340973 -0.00122919 56
16724 114 C 32.3089 30.5331 92.3175 -0.00349695 0.000654513 0.00180674 56
16725 115 C 32.5527 29.6615 93.5747 -0.00183417 0.000213931 -0.00062562 56
16726 116 C 32.3145 30.3608 94.9083 0.00200386 -0.00123759 0.000564398 56
16727 117 C 32.7207 29.5208 96.121 0.00268832 -0.000370534 0.00167483 56
16728 118 C 32.5456 22.4457 82.9033 -0.00060468 -0.00081479 0.0010838 56
16729 119 C 32.3527 22.1556 84.4055 -0.0038443 0.00218096 0.00153069 56
16730 120 C 32.8189 20.757 84.8513 -0.00148062 -0.00558524 -0.00328256 56
16731 121 C 33.5069 20.728 86.2219 0.00361444 -0.00176905 0.00043748 56
16732 122 C 32.7799 21.4519 87.347 0.00289197 0.00273938 0.00133574 56
16733 123 C 33.2664 20.9822 88.7256 -0.000645636 -0.000150604 0.000918472 56
16734 124 C 32.9659 22.0093 89.8539 0.00103418 0.00146704 0.0038548 56
16735 125 C 33.4384 21.5773 91.2476 -0.00210012 0.00306069 -0.00510284 56
16736 126 C 32.5402 20.5712 91.9534 0.00242605 0.00198514 -0.00267446 56
16737 127 C 33.0404 20.2367 93.3865 -0.00123407 0.00264447 -0.00478013 56
16738 128 C 32.7846 21.322 94.4549 -0.00257915 0.00283004 -0.00131319 56
16739 129 C 33.5918 21.1743 95.7766 -2.6084e-05 -0.00243878 -0.000434503 56
16740 130 F 28.2498 26.5601 73.6723 0.000542386 0.0031578 0.00180082 56
16741 131 H 32.1112 29.6473 80.493 0.00298242 0.0063318 -0.0146889 56
16742 132 H 32.2616 29.4821 78.0424 -0.013014 0.00631197 -0.00118722 56
16743 133 H 31.1504 27.5836 76.8647 0.00533754 0.000259768 0.00119361 56
16744 134 H 25.0098 25.9306 80.424 0.00146952 -0.000355536 0.000137338 56
16745 135 H 25.0888 25.4439 78.0554 0.0102438 0.00440672 -0.0135614 56
16746 136 H 27.2112 25.1647 76.8774 0.0011933 -0.00819022 0.00399641 56
16747 137 H 32.3502 21.293 80.5509 -0.00351257 -0.00509608 -0.0074189 56
16748 138 H 32.1 21.2757 78.1457 -0.00437324 0.00672891 -0.00230892 56
16749 139 H 31.0388 23.0655 76.9854 -0.00894431 -0.00548884 -0.000339884 56
16750 140 H 29.7656 21.7685 72.1983 0.00342124 0.00148167 0.00191699 56
16751 141 H 30.2698 22.6111 74.5361 -0.00285312 -0.00392759 -0.00185898 56
16752 142 H 25.556 18.5255 68.0239 0.0138775 -0.00496817 0.00350946 56
16753 143 H 25.4691 18.3956 65.5343 -0.0125415 0.011534 -0.0101759 56
16754 144 H 26.7012 20.4686 69.1163 0.00498564 0.00447903 0.000166248 56
16755 145 H 32.8848 22.6612 67.2465 -0.00300736 -0.00399358 0.00722623 56
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16757 147 H 30.8101 22.7395 68.7047 0.01333 -0.00645316 -0.00284643 56
16758 148 H 25.7955 26.7624 67.5533 0.00977369 -0.00256866 0.00103529 56
16759 149 H 25.679 26.6307 65.0724 -0.00469537 -0.00678601 -0.013244 56
16760 150 H 27.8811 22.3061 63.9896 0.00696132 -0.0207397 0.00817755 56
16761 151 H 26.7136 24.8747 68.8145 0.00817856 0.000839719 0.000701561 56
16762 152 H 29.7669 25.5081 81.8585 0.00695081 0.00236064 0.00287556 56
16763 153 H 31.8108 21.9394 62.3227 -0.00296236 0.00710752 -0.0108297 56
16764 154 H 30.6201 20.723 62.9443 -0.0029482 0.000778681 -0.0045164 56
16765 155 H 29.4649 22.9952 61.3383 0.00581346 -0.00133891 -0.0139077 56
16766 156 H 28.8361 21.4077 61.624 -0.00198829 0.00598259 0.000477783 56
16767 157 H 30.4318 20.3619 60.1173 0.00367097 0.00362739 0.00711671 56
16768 158 H 31.3496 21.8781 59.9773 -0.00111667 0.00600585 0.00599777 56
16769 159 H 29.3328 22.9699 59.0004 -0.0151182 -0.0041377 0.00174176 56
16770 160 H 28.3926 21.4953 59.0849 0.00666954 -0.014801 0.00777117 56
16771 161 H 30.0228 20.3399 57.5556 0.00903915 -0.00153713 -0.00442816 56
16772 162 H 30.8687 21.8789 57.3015 0.000347379 -0.00559377 -0.00743938 56
16773 163 H 28.7206 22.9533 56.4879 -0.00474733 -0.00233871 0.00153222 56
16774 164 H 27.899 21.459 56.7249 -0.00324302 -0.00451737 0.00637156 56
16775 165 H 29.5432 20.3613 55.1122 -0.000676175 -0.00497735 -0.00682377 56
16776 166 H 30.2487 21.9641 54.8178 0.000967648 -0.00982179 0.00335565 56
16777 167 H 27.7409 22.6231 54.365 0.000547695 0.000127606 0.00124554 56
16778 168 H 27.5592 20.8655 54.03 0.0113524 -0.0082209 0.00111322 56
16779 169 H 29.7033 21.2322 52.4988 -0.00652345 -0.0044889 -0.00837868 56
16780 170 H 29.4616 22.9668 52.7288 -0.00690503 0.00646613 -0.000418047 56
16781 171 H 27.2117 22.6867 51.6601 -0.00319299 -0.00298114 0.00528493 56
16782 172 H 27.4865 20.9761 51.4841 0.00154703 -0.00222229 0.0124022 56
16783 173 H 29.4033 21.2321 50.0877 0.00974468 0.00558344 -0.00208862 56
16784 174 H 29.2668 23.0288 50.1141 -0.0126498 0.0104094 -0.00743342 56
16785 175 H 27.148 22.8628 48.951 0.00853055 0.00485651 0.000920959 56
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16825 215 H 28.0483 27.1635 55.3657 0.00185295 0.00288651 0.00996864 56
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16829 219 H 27.3843 24.678 53.0157 -0.0097019 0.00846776 0.000133382 56
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16831 221 H 29.5095 26.8144 52.3323 0.0104949 -0.00685125 0.0120553 56
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16837 227 H 29.8726 27.0609 49.6875 -0.00410283 0.00322583 0.00271755 56
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16843 233 H 23.6364 25.0237 84.6506 0.00315777 -0.00259752 0.0106219 56
16844 234 H 24.924 26.9566 86.7168 0.0104016 -0.00907515 0.00836943 56
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16859 249 H 23.5198 24.7017 94.0152 -0.000306279 -0.00457276 -0.000588778 56
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16865 255 H 32.927 28.6005 83.4411 -0.00457603 -0.00501896 0.0081549 56
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16868 258 H 31.4726 31.0361 84.5377 -0.0116726 -0.0155361 0.0109708 56
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16875 265 H 33.2021 31.2683 89.6416 -0.00257428 0.00195315 -0.00960451 56
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16877 267 H 31.5588 29.0444 91.0357 0.00432038 -0.00816399 0.00605286 56
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16879 269 H 33.0695 31.3233 92.3426 -0.00289015 -8.93153e-05 0.00719787 56
16880 270 H 31.3201 31.0022 92.393 -0.0051654 -0.00432713 0.0110004 56
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16895 285 H 33.6893 19.6781 86.4824 -0.0143835 -0.00588799 -0.00364475 56
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16898 288 H 34.3465 20.7935 88.6918 -0.00191524 -0.010531 0.0178561 56
16899 289 H 32.7854 20.02 88.9407 0.0063029 -0.00726474 -0.0153558 56
16900 290 H 31.8891 22.2182 89.8694 -0.00128246 -0.0100526 -0.00121477 56
16901 291 H 33.4666 22.9438 89.572 0.0038721 -0.00648471 -0.0175283 56
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16904 294 H 32.4137 19.6703 91.3404 0.000352499 -0.0028332 0.00484011 56
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16911 301 H 33.2657 21.9099 96.5222 0.0106216 -0.000474879 0.00226687 56
16912 302 H 34.6617 21.2952 95.5669 -0.00221655 0.0034897 -0.00829723 56
16913 1 C 35.7741 22.0127 79.5999 0.00151783 0.00345885 -0.00118496 57
16914 2 C 35.768 21.873 78.2049 0.00450462 -0.00168446 -0.00272034 57
16915 3 C 35.0867 20.7716 77.6413 -0.000590776 -0.000978198 -0.00136895 57
16916 4 C 34.5063 19.8215 78.4862 0.00424593 -0.000209308 -0.00120738 57
16917 5 C 34.5658 19.9415 79.891 -0.000158835 8.72171e-05 -1.43877e-05 57
16918 6 C 35.2208 21.0718 80.4648 -0.00359207 0.000568504 -9.66755e-05 57
16919 7 C 30.041 18.7485 80.0923 0.000723193 0.00237355 -0.00179724 57
16920 8 C 29.9918 18.5547 78.6901 -0.000185971 -0.00311747 -0.0014501 57
16921 9 C 31.1683 18.5106 77.9552 -0.00160924 0.00218132 -0.00338005 57
16922 10 C 32.3891 18.6341 78.6302 -0.000581173 0.00147933 -0.00237042 57
16923 11 C 32.4155 18.8164 80.0414 0.00170253 0.002129 0.00252614 57
16924 12 C 31.2336 18.9436 80.7929 0.0024479 0.00432692 -0.0039304 57
16925 13 C 35.6363 15.293 80.1016 0.00487016 -0.00346255 0.00151907 57
16926 14 C 35.3629 15.1356 78.7198 0.00227778 -0.000176781 0.00384715 57
16927 15 C 34.835 16.1813 77.9957 -0.00442845 0.000426481 6.65456e-05 57
16928 16 C 34.4818 17.351 78.6874 0.00439793 -0.00436818 -0.00297341 57
16929 17 C 33.8034 18.5432 78.0101 -0.000378956 -0.00430168 -0.00350406 57
16930 18 O 35.2258 16.3478 82.2409 -0.000608464 0.00178215 0.00104785 57
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16933 21 C 35.1541 16.3906 80.8429 -0.00339552 0.00467769 -0.0025181 57
16934 22 C 33.7294 18.4138 76.5544 0.00549348 -0.00158334 0.00029367 57
16935 23 C 33.5049 18.1996 75.3818 0.00234161 -0.00141173 0.00559481 57
16936 24 C 33.2234 17.8255 74.0304 -0.00162723 0.00603778 -0.000862135 57
16937 25 C 32.1927 18.4676 73.3087 0.00211848 0.00236945 -0.000213795 57
16938 26 C 31.8864 17.9872 72.0089 0.000578642 -0.00123557 -0.00464674 57
16939 27 C 32.5326 16.8565 71.4749 -0.00187118 0.00028154 -0.00417488 57
16940 28 C 33.5957 16.2509 72.2108 0.000984509 0.00112101 -0.000566665 57
16941 29 C 33.9277 16.7328 73.4711 -0.00429802 -0.000662668 0.000765467 57
16942 30 C 32.3211 16.4564 70.1496 -0.00132636 -0.000317485 0.00703098 57
16943 31 C 32.1762 16.2007 68.9606 -0.0015726 0.00230612 0.00826808 57
16944 32 C 30.6066 12.4128 67.4307 -0.000961694 -0.00121393 -0.00238911 57
16945 33 C 30.5684 12.249 66.0491 -0.0020034 -1.88883e-05 -0.00205108 57
16946 34 C 30.9901 13.2506 65.1331 -0.0016779 0.00232203 -0.00416879 57
16947 35 C 31.3921 14.4809 65.6686 0.0057348 0.00245362 0.00185844 57
16948 36 C 31.4571 14.6422 67.076 0.00294529 0.00209128 -0.00605085 57
16949 37 C 30.9954 13.6468 67.9447 0.000660583 0.00136364 -0.00298679 57
16950 38 C 32.0279 16.003 67.4926 0.00199503 0.00400725 0.00216606 57
16951 39 C 35.8044 15.7363 66.6118 0.000277986 -0.0024297 0.00238994 57
16952 40 C 35.7154 15.6944 65.2245 0.00313283 -0.00454017 0.00351597 57
16953 41 C 34.4639 15.768 64.5522 0.00290733 0.00426639 0.00592874 57
16954 42 C 33.2906 15.8926 65.3238 0.00298655 0.00493933 -0.00119757 57
16955 43 C 33.3803 15.9966 66.7247 0.00388666 0.00459906 -0.0011822 57
16956 44 C 34.6426 15.9667 67.3597 0.00112546 0.000548282 4.43642e-05 57
16957 45 C 29.9624 19.1265 66.4916 0.00163366 0.00219973 -0.00362374 57
16958 46 C 29.8916 18.9455 65.1184 0.00154756 0.000655428 -0.00184385 57
16959 47 C 30.4514 17.7964 64.5377 0.00235161 0.00146345 0.00235119 57
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16961 49 C 31.8665 15.6549 64.8085 0.000142226 -0.00287192 0.000664667 57
16962 50 C 31.2064 17.055 66.7521 -2.84343e-05 -0.000885385 0.000435475 57
16963 51 C 30.5826 18.1807 67.3107 -0.0005427 8.18499e-05 -9.8254e-06 57
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16966 54 O 30.3996 17.5621 63.1878 -0.00294431 0.00151736 0.00429579 57
16967 55 C 33.8611 18.7743 80.6311 0.000359078 -0.000298498 -0.00471029 57
16968 56 C 34.549 17.4488 80.0882 0.000258693 -0.00146705 -0.0012964 57
16969 57 C 33.9261 14.7678 62.339 -0.00030954 -0.00308165 -0.00239949 57
16970 58 C 32.8716 15.2071 61.3406 -0.000505737 0.00341807 0.000622565 57
16971 59 C 33.2952 14.8882 59.9203 -0.00105764 0.000883977 0.0002851 57
16972 60 C 32.1417 15.07 58.9004 1.95132e-05 0.00156954 0.00519526 57
16973 61 C 32.6345 14.9589 57.4187 -0.0034236 0.000734709 -0.000577018 57
16974 62 C 31.4734 14.8353 56.4239 -0.000187466 0.000186452 0.000493813 57
16975 63 C 31.7104 15.4674 55.0367 0.000137147 0.00173403 -0.000684922 57
16976 64 C 33.0066 15.0363 54.3685 0.00356054 -0.00415292 -0.000319127 57
16977 65 C 33.023 15.3382 52.8732 0.00110937 0.000172477 -0.000191528 57
16978 66 C 32.2864 14.2016 52.0801 -0.00211072 0.000863872 0.00314839 57
16979 67 C 31.9916 14.5839 50.6225 -0.000455718 -0.000492907 0.000455707 57
16980 68 C 31.0505 15.8072 50.4356 0.000645982 0.00187226 0.000653758 57
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16983 71 C 31.9727 11.8275 61.795 0.00572891 -0.00332508 0.000204384 57
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16985 73 C 32.5665 10.3733 59.6647 0.00241157 -0.00177426 -0.0030014 57
16986 74 C 31.552 11.0737 58.7334 -0.00283393 0.00216678 0.00336708 57
16987 75 C 31.5469 10.6128 57.247 -0.00545381 -0.000229201 -0.000105541 57
16988 76 C 32.8702 10.9562 56.5366 0.00319565 -0.00195657 0.00236295 57
16989 77 C 32.6872 11.2734 55.0626 0.00245507 -0.00647158 0.000394561 57
16990 78 C 32.3131 10.0881 54.113 -0.00276886 -0.00287522 0.00108529 57
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16992 80 C 32.1487 9.4654 51.5875 0.00263232 -0.00024113 -0.000223605 57
16993 81 C 32.4205 9.9589 50.1549 0.00170772 0.00325087 -0.00292183 57
16994 82 C 29.2411 17.8923 62.3741 -0.00070817 -0.00126112 0.00159916 57
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16997 85 C 29.3352 17.354 58.4814 -0.000179389 -0.00145084 -0.00152754 57
16998 86 C 28.8049 18.0645 57.1807 0.00326739 -0.00184183 -0.00285252 57
16999 87 C 27.8047 17.2694 56.4006 0.00315268 0.000784352 0.00538417 57
17000 88 C 27.642 17.7971 54.9564 0.00278299 0.00540524 0.00124979 57
17001 89 C 28.7485 17.3047 54.0407 0.00237896 0.00141026 0.000101753 57
17002 90 C 28.7474 17.9749 52.7073 0.00172408 0.00184749 0.00257473 57
17003 91 C 27.5686 17.4674 51.7416 0.000319345 0.00013589 0.00284208 57
17004 92 C 27.8219 18.0067 50.2887 0.00181718 0.00102358 0.00226931 57
17005 93 C 26.8288 17.455 49.2625 0.0018477 0.00296339 0.00444101 57
17006 94 C 30.1148 20.0049 82.7639 0.00204401 0.000957243 0.00124176 57
17007 95 C 28.9764 19.0284 83.1963 -0.00351844 0.00239963 0.00247441 57
17008 96 C 28.3872 19.085 84.6459 -0.00419707 -0.00150791 -0.00153131 57
17009 97 C 29.4847 19.0541 85.7174 -0.00273205 -0.00209356 0.00178688 57
17010 98 C 28.924 19.0163 87.157 0.000764115 0.000228299 0.000781312 57
17011 99 C 30.0993 18.6426 88.0944 -0.00289096 -0.000415924 -0.00189708 57
17012 100 C 30.164 19.0207 89.5765 0.000889014 0.00277598 0.00259554 57
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17519 3 C 42.8305 20.732 77.7333 0.00203275 0.00263097 0.00081115 59
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17529 13 C 43.4606 15.1603 80.2641 -0.000379923 -0.000983294 0.00239688 59
17530 14 C 43.4843 15.108 78.8746 -0.00430478 -0.00513861 -0.00531164 59
17531 15 C 42.9806 16.1634 78.1098 -0.00399331 0.00261925 0.00455685 59
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17545 29 C 41.5381 16.34 73.6235 0.00149195 -0.00172528 0.00146887 59
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19029 3 C 15.7694 41.1582 78.0317 -0.000222122 -0.00398075 -0.000313661 64
19030 4 C 15.0751 40.2006 78.7621 -0.00338547 0.00176316 -0.00423938 64
19031 5 C 14.9547 40.3077 80.1833 0.00123547 0.00351614 0.000281606 64
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19034 8 C 10.5269 38.9002 78.5636 0.00409582 0.00278771 0.00105182 64
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19038 12 C 11.6126 39.18 80.7407 -0.00308693 0.000681422 -0.00211094 64
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19040 14 C 16.3176 35.6242 79.0193 0.00272679 -0.00221248 0.00176957 64
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19043 17 C 14.4234 38.9331 78.2034 -0.00143854 0.00231934 0.0037555 64
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19048 22 C 14.4821 38.8388 76.7445 -0.00127823 0.000194561 0.0023578 64
19049 23 C 14.3547 38.6217 75.5576 0.000452808 0.00224612 0.000426094 64
19050 24 C 14.2099 38.2614 74.1752 -0.00299459 -0.00160305 0.00310736 64
19051 25 C 14.0844 39.2013 73.1391 -0.00535025 -0.00461508 -0.00101505 64
19052 26 C 13.7456 38.7522 71.8634 0.00107498 -0.00203209 -0.000690065 64
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19054 28 C 13.7272 36.4375 72.6176 0.00344466 -0.00133024 -0.000584243 64
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19513 185 H 15.6083 22.931 60.0215 0.0040425 -0.00604539 -0.00251443 65
19514 186 H 15.4996 25.2322 58.9632 0.0148868 0.0122188 0.00728853 65
19515 187 H 17.1889 25.1886 58.6748 -0.00889769 0.00965111 -0.00157061 65
19516 188 H 16.7112 22.9307 57.325 -0.00317002 -0.00427566 -0.0119459 65
19517 189 H 14.9995 23.3104 57.5041 0.0018661 -0.00414794 0.000585621 65
19518 190 H 15.2544 25.3546 56.2691 0.00379526 0.00588745 -0.00189477 65
19519 191 H 17.0259 25.0903 56.1706 1.85636e-05 -0.00676647 -0.0113773 65
19520 192 H 16.4466 22.8489 54.9395 -0.00445387 -0.00758239 -0.00584943 65
19521 193 H 14.7493 23.4174 54.9197 -0.00375982 0.0108456 -0.0127821 65
19522 194 H 15.5357 25.3878 53.5267 -0.00388885 -0.0031226 0.00493564 65
19523 195 H 17.1772 24.9016 53.7077 0.00553064 -0.00681124 -0.000597374 65
19524 196 H 16.7646 22.7675 52.4485 0.00965994 0.00492777 0.00659034 65
19525 197 H 15.0961 23.2263 52.1677 0.00325272 -6.40835e-05 0.000976683 65
19526 198 H 15.869 25.2092 50.8625 0.000795181 -0.00241188 -0.0145752 65
19527 199 H 17.4941 24.9338 51.3475 -0.00136053 0.0094249 -1.76286e-05 65
19528 200 H 17.2364 24.2553 49.0505 -0.0147481 0.00409385 -0.0104051 65
19529 201 H 17.5957 22.7887 49.9653 0.00599966 0.0130587 -0.00599705 65
19530 202 H 15.9226 23.1573 49.4115 -0.00138483 -0.00489604 0.00142094 65
19531 203 H 12.9216 30.6756 63.8815 -0.00396512 0.00535427 -0.0010212 65
19532 204 H 12.8572 32.1414 62.8954 -0.00595565 -0.00280686 -0.00260128 65
19533 205 H 14.123 29.4931 61.8323 -0.00539836 -0.00587758 -0.00365367 65
19534 206 H 12.397 29.7796 61.8009 -0.000490168 0.00294777 0.00199695 65
19535 207 H 12.7457 31.918 60.6333 0.0103529 0.00187522 -0.00154998 65
19536 208 H 14.5129 31.6062 60.5045 -0.0049554 0.0190014 -0.00717336 65
19537 209 H 14.0791 29.6611 59.1203 0.0112039 0.0216947 -0.00670151 65
19538 210 H 12.3098 29.7003 59.4138 9.91938e-05 -0.000751826 0.00520864 65
19539 211 H 12.2006 31.8678 58.1716 0.00119481 -0.00339109 0.0170169 65
19540 212 H 13.9603 31.7693 57.9814 0.00285723 -0.00635837 -0.00505013 65
19541 213 H 13.6922 29.644 56.7447 0.000712855 0.00691691 -0.00438529 65
19542 214 H 11.8986 29.7032 56.9081 -0.00387293 0.00140877 -0.000448857 65
19543 215 H 11.8003 31.7048 55.4328 0.00512152 0.000658366 0.0125875 65
19544 216 H 13.5188 31.9156 55.5152 -0.00172697 0.0034831 0.0160615 65
19545 217 H 13.7848 29.7474 54.2629 0.00213568 -0.000790408 -0.00564201 65
19546 218 H 12.0699 29.4714 54.3058 -0.00564318 0.00599793 0.00675049 65
19547 219 H 11.6913 31.6261 52.9893 0.00362233 0.00576938 -0.00619006 65
19548 220 H 13.4942 31.8694 53.0197 -0.00680659 0.00731042 0.00444881 65
19549 221 H 13.7864 29.811 51.6419 7.4217e-05 -0.00524216 0.000471803 65
19550 222 H 12.0666 29.5061 51.7118 9.93971e-05 -0.00287986 -0.0131101 65
19551 223 H 11.5502 31.4858 50.5023 -0.00131301 0.0023879 -0.00414863 65
19552 224 H 13.1159 32.1525 50.4065 -0.00930172 0.00589605 0.00937697 65
19553 225 H 13.93 30.1076 49.0785 -0.00255114 -1.63687e-05 0.00621371 65
19554 226 H 12.3293 29.4296 49.2156 0.0154355 -0.00894318 0.0110037 65
19555 227 H 12.5836 30.9392 48.2805 -0.00727379 -0.0102133 -0.00399084 65
19556 228 H 13.7493 33.7216 82.209 0.00168384 0.002879 0.00199828 65
19557 229 H 13.3067 32.0166 82.0004 -0.00951103 0.00938026 0.00552486 65
19558 230 H 14.4048 31.4785 84.1814 -0.0108544 -0.00548394 0.00379923 65
19559 231 H 14.6517 33.1757 84.4397 0.00583466 -0.00138088 -0.0102545 65
19560 232 H 12.1028 33.556 84.0865 0.0142509 0.00358766 0.00683381 65
19561 233 H 11.9695 31.8885 83.8206 0.003176 -0.00490423 -0.00322892 65
19562 234 H 11.3085 32.5065 86.1328 -0.000370364 -0.0140126 0.00176361 65
19563 235 H 12.4802 31.1838 85.9972 0.0118539 -0.00186415 -0.00275811 65
19564 236 H 14.3236 32.6778 86.7259 -0.00128991 0.00586556 -0.00347499 65
19565 237 H 13.1702 34.0705 86.7438 -0.0178726 -0.0039945 0.000545856 65
19566 238 H 11.8216 32.9581 88.4696 0.00375866 0.00503799 -0.0117234 65
19567 239 H 12.8183 31.5172 88.3882 -0.0145672 4.3198e-05 0.00617407 65
19568 240 H 14.7365 32.8013 89.348 0.00427089 0.0119296 -0.00611193 65
19569 241 H 13.7467 34.2729 89.2627 0.00843983 -0.000164679 -0.0144016 65
19570 242 H 12.2853 33.425 90.9599 -0.000479039 -0.00766954 0.00580823 65
19571 243 H 12.8896 31.7914 90.8503 0.00331857 -0.00453456 -0.00239187 65
19572 244 H 15.0979 32.699 91.8626 -0.00290285 8.14015e-05 -0.0058752 65
19573 245 H 14.2106 34.2398 92.0607 -0.00335121 -0.000472016 -0.0010049 65
19574 246 H 12.426 32.8381 93.3562 -0.00105489 -0.00211531 -0.00110481 65
19575 247 H 13.4878 31.5336 93.3711 -0.00196063 -0.00270703 0.0114779 65
19576 248 H 15.3119 33.0769 94.3947 -0.00309075 -0.0130884 0.000856944 65
19577 249 H 14.0181 34.2771 94.5748 0.016269 0.0013192 0.0114107 65
19578 250 H 13.9608 31.5413 95.9231 0.00567794 0.00402183 0.00235901 65
19579 251 H 14.2185 33.1336 96.6989 -0.00459298 0.00241792 0.000340447 65
19580 252 H 12.6623 32.7087 95.9036 -0.00619101 0.00100989 -0.00967582 65
19581 253 H 21.0311 36.2748 81.6123 0.00540361 -0.00582708 0.0089723 65
19582 254 H 19.3292 36.8128 81.8023 0.0138662 0.00941769 0.00441977 65
19583 255 H 19.3052 36.0336 84.043 0.00200317 -0.00420694 0.00762733 65
19584 256 H 20.832 35.1495 83.8557 0.00453794 -0.00188187 -0.00235663 65
19585 257 H 22.2336 37.0753 83.7911 0.000339919 0.00504208 0.0103162 65
19586 258 H 20.9652 38.0621 83.2629 0.00596995 -0.00412594 -0.00741016 65
19587 259 H 21.1122 38.7896 85.4725 0.0190495 -0.00631779 -0.0124866 65
19588 260 H 19.7431 37.7137 85.5475 -0.00229996 0.0091947 0.00537312 65
19589 261 H 21.0517 35.8382 86.5014 -0.00413939 -0.00116936 0.0070687 65
19590 262 H 22.4727 36.8757 86.536 0.000118547 -0.000415311 0.00293957 65
19591 263 H 21.2474 38.5805 87.8705 -0.000619376 0.00150105 0.00550055 65
19592 264 H 19.8423 37.5254 88.051 0.00260606 0.00768965 -0.0022995 65
19593 265 H 21.6294 35.8956 89.1275 0.00462499 -0.00270849 -0.00702098 65
19594 266 H 22.7712 37.1939 89.0123 0.00309057 -0.0119132 -0.00450307 65
19595 267 H 21.6143 38.6871 90.5017 0.00373899 -0.000553852 -0.00562869 65
19596 268 H 20.1408 37.7976 90.4329 -0.00302221 -0.00436119 0.00862884 65
19597 269 H 21.4446 35.8454 91.6429 -0.00782809 0.000928567 0.00125631 65
19598 270 H 22.7619 36.9878 91.8091 -0.000665637 0.00169396 0.00109436 65
19599 271 H 21.3213 38.6394 93.0131 0.00495292 0.00417028 0.0116505 65
19600 272 H 19.9864 37.5305 92.9162 0.00417367 0.00345348 0.00950527 65
19601 273 H 21.1648 35.7631 94.2152 0.00128229 0.00231639 -0.0157767 65
19602 274 H 22.5935 36.8014 94.3486 -0.0005022 0.00161117 0.0142281 65
19603 275 H 21.1292 38.5633 95.6018 0.0104951 -0.001187 0.00202893 65
19604 276 H 19.8091 37.4143 95.4416 -0.00363242 0.0187348 0.00133232 65
19605 277 H 21.2195 36.9016 96.3901 0.00139441 0.00525399 -0.000449976 65
19606 278 H 19.7197 28.2051 82.8922 -0.00360284 0.00213837 0.00317826 65
19607 279 H 21.2858 28.9226 82.7304 0.00762022 -0.00201263 0.00738872 65
19608 280 H 19.3149 29.5092 85.0576 -0.00927896 -0.00327937 -0.0155081 65
19609 281 H 20.9657 30.0745 85.0175 0.00328596 0.00185851 0.00683576 65
19610 282 H 21.7069 27.6223 84.9947 -0.0097789 -0.0191011 0.00958038 65
19611 283 H 20.037 27.1254 85.1813 -0.00037383 0.00288227 0.000767323 65
19612 284 H 21.4403 28.8582 87.1543 0.00178451 -0.0104905 0.00447965 65
19613 285 H 21.1622 27.0893 87.2709 -0.00932786 -0.0045416 -0.00514673 65
19614 286 H 18.6281 28.1617 86.8201 0.00208427 0.00734585 -0.0123245 65
19615 287 H 19.3845 29.5341 87.5716 -0.00573376 -0.00174468 -0.00243386 65
19616 288 H 19.3488 26.8402 88.9707 -0.0143745 -0.00139037 0.00434101 65
19617 289 H 18.1769 28.162 89.2385 0.00114254 0.0224026 -0.0174272 65
19618 290 H 20.1325 29.5307 90.1513 0.00284465 0.00898183 -0.000769769 65
19619 291 H 21.2235 28.2145 89.746 -0.00541411 -4.1764e-05 -0.0057378 65
19620 292 H 20.0274 26.6529 91.392 -0.0186847 -0.00423307 0.00842535 65
19621 293 H 18.7429 27.7664 91.6205 -0.00624609 -0.00143194 -0.0107596 65
19622 294 H 20.402 29.4032 92.7663 0.00469132 0.0022999 -0.0135944 65
19623 295 H 21.7075 28.1935 92.4641 0.00378542 0.00719617 -0.000485674 65
19624 296 H 20.2074 26.5796 93.7484 0.00320216 -0.00140352 -0.000367523 65
19625 297 H 19.1279 27.9395 94.0474 -0.00167684 -0.0119063 -0.0029136 65
19626 298 H 20.7367 29.1398 95.2625 0.0207682 0.00991362 -0.00275568 65
19627 299 H 22.0926 28.0927 94.8876 -0.00124665 -0.00211894 0.0161975 65
19628 300 H 20.7566 26.1543 96.1704 0.0043316 -0.000571594 -0.00117796 65
19629 301 H 19.7283 27.3704 96.6998 9.24676e-05 -0.0176905 0.0125123 65
19630 302 H 21.4501 27.4798 97.1902 0.00417966 0.00743886 -0.00640091 65
19631 1 C 23.8998 42.248 79.0562 0.00628832 -0.000888677 -0.00355182 66
19632 2 C 23.9564 42.1199 77.6499 0.00127494 -0.00194508 0.00289477 66
19633 3 C 23.5522 40.9338 77.044 -0.00355687 -0.00140471 0.00418387 66
19634 4 C 22.9028 39.9579 77.843 -0.00441797 -0.00239164 0.00504712 66
19635 5 C 22.8172 40.1051 79.2598 -0.00234621 0.00114728 -0.00243766 66
19636 6 C 23.3577 41.2291 79.8985 0.00583299 -0.00310082 -0.00270977 66
19637 7 C 18.3571 39.0473 79.0882 0.00245491 -0.0004385 -0.000712313 66
19638 8 C 18.4282 38.9583 77.7028 0.000861719 -0.001405 0.00531211 66
19639 9 C 19.6624 38.8271 77.0859 0.00159434 0.0045954 0.00245443 66
19640 10 C 20.8148 38.7825 77.8719 0.00231829 -0.00171239 0.00275759 66
19641 11 C 20.7199 38.9334 79.2765 0.0021628 -0.00379798 0.00266683 66
19642 12 C 19.4841 39.1195 79.9043 0.00390354 -0.00046723 0.00178858 66
19643 13 C 24.1619 35.6303 79.6764 -0.0034714 0.000476704 0.00114435 66
19644 14 C 24.1463 35.5415 78.3032 0.00541778 -6.10905e-05 -0.00389365 66
19645 15 C 23.5496 36.4883 77.4931 6.03741e-05 -0.0018357 0.00405158 66
19646 16 C 22.8783 37.5614 78.1274 0.00144154 -0.00095114 0.00155059 66
19647 17 C 22.259 38.7115 77.3329 0.00263076 0.00148605 -0.00605101 66
19648 18 O 23.4793 36.579 81.7642 -0.0019536 -0.00074846 -0.000859416 66
19649 19 O 19.4331 39.203 81.2825 -0.00239218 -0.000539888 0.00232911 66
19650 20 O 23.258 41.4217 81.2296 -7.45621e-05 0.00134613 0.000612875 66
19651 21 C 23.4874 36.6463 80.3608 0.000540397 0.00050824 0.00735914 66
19652 22 C 22.3109 38.5887 75.8739 -0.0038656 0.000212645 0.000349852 66
19653 23 C 22.1843 38.3662 74.6947 0.00332049 -0.00180617 -0.00173014 66
19654 24 C 21.8844 37.9346 73.3736 0.000302001 -0.000920818 -0.000660007 66
19655 25 C 21.0607 38.7341 72.581 -0.00124492 -0.00289943 0.00522286 66
19656 26 C 20.5838 38.2119 71.3922 -0.00438948 0.00349215 0.00361917 66
19657 27 C 21.0021 36.9414 70.9845 0.00516227 -0.000171878 0.00136987 66
19658 28 C 21.8256 36.1225 71.7742 0.000717677 -0.000256556 -0.000265201 66
19659 29 C 22.2715 36.6335 72.9974 -0.00134346 0.00335658 -0.00455734 66
19660 30 C 20.5941 36.5053 69.673 -0.00151043 -0.00363892 -0.00123394 66
19661 31 C 20.4329 36.2111 68.5155 -0.00228886 0.00194487 0.000694391 66
19662 32 C 18.3997 32.7454 66.8292 -0.00313632 0.00513982 -0.00251707 66
19663 33 C 18.351 32.6128 65.4196 0.00119277 -0.00552339 -0.000637327 66
19664 34 C 18.9518 33.5712 64.6119 0.00471827 -0.000352685 -0.00151487 66
19665 35 C 19.5343 34.6969 65.2145 -0.00157094 0.00230473 0.00597718 66
19666 36 C 19.5623 34.8121 66.6293 0.0051983 -0.000374056 -0.00375426 66
19667 37 C 18.9959 33.8297 67.4612 0.00107864 -0.000284024 -0.000339654 66
19668 38 C 20.2533 36.0771 67.075 0.001675 -0.00114328 0.00534296 66
19669 39 C 24.0683 36.1947 66.1819 0.00386976 -0.00132618 -0.00177986 66
19670 40 C 23.9708 36.0409 64.7894 0.0015297 0.00291543 -0.000256136 66
19671 41 C 22.7109 35.8495 64.2019 -0.000894218 -0.00125633 0.00335451 66
19672 42 C 21.537 35.9274 64.9685 -0.00314922 0.0034278 0.00262389 66
19673 43 C 21.6318 36.0293 66.3501 0.00146338 0.00318623 0.00235002 66
19674 44 C 22.911 36.1497 66.9563 -0.000704532 0.00286038 0.00704005 66
19675 45 C 18.3449 39.3013 66.3686 -0.00154312 0.00126395 0.00299864 66
19676 46 C 18.4189 39.335 64.9873 -0.00538949 -6.56047e-05 -0.00085226 66
19677 47 C 18.9121 38.2152 64.2812 0.00052243 0.0017336 -0.000644929 66
19678 48 C 19.4429 37.1228 65.0071 -0.000494643 3.28668e-05 0.0026168 66
19679 49 C 20.097 35.8739 64.4436 -0.0013483 -0.00173711 -0.00358378 66
19680 50 C 19.5445 37.2381 66.3965 0.000707568 7.18903e-05 -0.00509966 66
19681 51 C 18.9292 38.2742 67.0819 -0.00502107 0.00495972 -0.000250944 66
19682 52 O 22.5916 35.5281 62.8885 -0.000731386 0.00104232 0.00312396 66
19683 53 O 18.985 33.3693 63.2288 0.00274009 0.00159034 -0.000998014 66
19684 54 O 18.9525 38.1633 62.9045 -0.000488029 -0.00123986 0.00142639 66
19685 55 C 22.1017 38.9192 79.9743 0.00429508 0.00523034 0.00267953 66
19686 56 C 22.8463 37.6374 79.5369 0.000264981 -0.0025959 0.00268499 66
19687 57 C 22.2104 34.1814 62.5825 0.00520486 0.00395996 7.81954e-05 66
19688 58 C 21.583 34.0215 61.1904 -0.00410279 0.00131098 -0.00305982 66
19689 59 C 21.3096 35.2815 60.3694 -0.00175934 -0.00204241 0.0033583 66
19690 60 C 21.2029 34.9858 58.8308 -0.00121667 0.00168247 -0.00176804 66
19691 61 C 20.6268 36.0706 57.9577 -0.00540876 0.00521466 -0.00117082 66
19692 62 C 20.2541 35.5684 56.5122 -0.000851548 0.00334715 0.00340845 66
19693 63 C 21.3135 34.727 55.8183 0.00115454 0.000442581 -0.00119491 66
19694 64 C 20.9959 34.491 54.3158 -0.00364754 0.00345889 -0.0032816 66
19695 65 C 21.208 35.7288 53.4642 0.00400252 -0.00386767 0.000510947 66
19696 66 C 21.3223 35.4941 51.9469 -0.00218918 0.00190037 -0.00141555 66
19697 67 C 19.9604 35.1886 51.3453 0.00119826 0.00159211 0.000471241 66
19698 68 C 19.9424 35.4288 49.8435 -0.000882436 0.00212932 0.00192275 66
19699 69 F 19.6979 38.9713 70.7157 -0.00145374 -0.00355058 -0.000580488 66
19700 70 C 17.9917 33.969 62.3896 0.0018375 -0.00039235 -0.000412251 66
19701 71 C 17.8321 33.285 60.9855 -0.000526576 8.66356e-05 0.00358856 66
19702 72 C 17.5034 34.3705 59.9173 0.00194246 -0.000246097 -0.00107648 66
19703 73 C 17.5005 33.8661 58.46 0.00389969 -0.00045514 8.48572e-05 66
19704 74 C 16.7874 32.525 58.1259 -0.00178827 0.00508269 0.00234961 66
19705 75 C 16.078 32.5473 56.753 -0.00035686 -0.00217513 -0.00180084 66
19706 76 C 17.0849 32.6034 55.5934 0.000245852 0.00534223 -0.00380603 66
19707 77 C 16.3119 32.6619 54.2645 -0.00339943 -0.00380745 0.000528033 66
19708 78 C 17.165 32.6554 52.995 -0.00238102 -0.0009013 0.00388774 66
19709 79 C 16.2416 32.9208 51.8137 0.00133234 -0.000611058 0.00350692 66
19710 80 C 16.9485 32.735 50.4621 -0.00533203 0.00137587 -0.00189412 66
19711 81 C 15.9813 33.0081 49.3044 -0.00242366 -0.00168423 0.00385511 66
19712 82 C 20.1751 38.4986 62.2624 -0.00485822 -0.00134124 0.00161516 66
19713 83 C 20.0282 38.4043 60.726 -0.00207405 0.00216413 0.00283988 66
19714 84 C 20.0495 39.7752 60.0089 -0.00145557 0.00270163 0.00203625 66
19715 85 C 20.7913 39.7761 58.6483 -0.000443088 0.00374315 -0.00257551 66
19716 86 C 19.9091 39.5732 57.3883 0.00254059 0.00305879 0.00189823 66
19717 87 C 20.8907 39.352 56.2057 -0.00126161 0.00511159 -0.0010214 66
19718 88 C 20.299 38.9704 54.8498 0.00305317 0.00207756 -0.00204779 66
19719 89 C 19.81 40.1318 53.9754 0.000457991 -0.00363772 -0.000190027 66
19720 90 C 19.4268 39.5912 52.558 0.00134646 0.00255998 -0.000697769 66
19721 91 C 20.7049 39.387 51.7153 -0.00120491 0.000399542 -0.00244107 66
19722 92 C 20.4249 39.3188 50.2214 -0.00139468 0.00743435 0.00201996 66
19723 93 C 21.7193 38.9476 49.5527 -0.00278527 0.00199856 0.0052759 66
19724 94 C 18.2285 39.5972 81.963 0.00174976 -0.00547051 -0.00495245 66
19725 95 C 18.3022 39.0167 83.3664 0.000472552 -0.000384469 -0.000978561 66
19726 96 C 17.0926 39.3123 84.268 -0.00284943 0.00149922 -0.00116379 66
19727 97 C 17.3966 39.0103 85.7438 0.00166241 0.00029532 -0.000510587 66
19728 98 C 16.4798 39.7469 86.7446 0.00445955 0.00223501 0.00325268 66
19729 99 C 17.0217 39.4341 88.1333 -0.000542033 0.00392165 0.00493139 66
19730 100 C 16.2764 40.2527 89.1914 0.00185255 -0.000336879 -0.00263415 66
19731 101 C 16.5416 39.7287 90.6166 0.000738646 -0.00207564 0.00220861 66
19732 102 C 17.8899 40.2861 91.0607 0.00412997 0.00146983 0.0019246 66
19733 103 C 18.2549 39.7518 92.4747 -0.00091719 0.0042097 -0.00238171 66
19734 104 C 17.4362 40.3876 93.6175 -0.00121634 0.00412648 0.00290584 66
19735 105 C 17.5839 39.6842 94.9398 -0.00195666 -0.00176507 0.00181674 66
19736 106 C 23.4372 42.6915 81.8642 -0.000522729 -0.00200325 -0.00130819 66
19737 107 C 23.657 42.231 83.3235 0.0023477 -0.00378209 0.00166705 66
19738 108 C 23.889 43.3674 84.3246 -0.00246276 0.000531755 -0.00137691 66
19739 109 C 24.1997 42.8713 85.7656 0.00100896 -0.00405882 -0.00239154 66
19740 110 C 24.0562 43.9545 86.8524 -0.000735749 -0.00113713 -0.00204076 66
19741 111 C 24.653 43.4207 88.1653 0.000931096 -0.000244273 0.00373064 66
19742 112 C 24.3078 44.22 89.3985 0.00207356 -0.000339284 -0.00228908 66
19743 113 C 24.9991 43.6022 90.6068 0.00288338 0.000175825 0.000824052 66
19744 114 C 24.6683 44.3202 91.9341 -0.000515549 -0.00156578 0.00164183 66
19745 115 C 25.3838 43.6962 93.1463 0.000389829 0.000430286 0.0018278 66
19746 116 C 25.0043 44.3822 94.449 0.000806742 0.000449608 -0.00578395 66
19747 117 C 25.4005 43.5952 95.6934 -0.00207498 -0.00252801 -0.0030807 66
19748 118 C 24.1592 35.4865 82.4706 -0.00430067 -0.00179688 -0.000761293 66
19749 119 C 24.0972 35.3349 84.0057 -0.00279944 -0.00204391 0.00231592 66
19750 120 C 24.9317 34.0795 84.4836 8.33766e-05 -0.00288245 -0.00178592 66
19751 121 C 24.7754 33.5954 85.9325 0.000774286 0.00365046 -0.000772746 66
19752 122 C 24.5515 34.6062 87.0609 0.000650885 -0.0026177 -0.00369278 66
19753 123 C 24.9497 34.0066 88.4201 0.00305437 -0.00190966 -0.00359395 66
19754 124 C 24.6509 34.8206 89.6922 -0.000286111 0.00115415 -0.00187883 66
19755 125 C 25.1629 34.0197 90.9244 -0.00117554 -0.00168415 0.00333094 66
19756 126 C 24.8619 34.8242 92.2405 0.0014099 0.000530462 -0.00179949 66
19757 127 C 25.3946 34.0457 93.4312 -0.00427502 -0.00284817 3.75429e-05 66
19758 128 C 24.6495 34.3114 94.7218 -0.00106684 -0.00204162 0.00110039 66
19759 129 C 24.9687 35.6875 95.3778 0.00288509 0.0049119 -0.00211782 66
19760 130 F 20.5974 39.9359 73.0158 0.00338117 0.000574555 -0.000981549 66
19761 131 H 24.205 43.199 79.4827 -0.00931953 -0.00206932 0.0102956 66
19762 132 H 24.2826 42.9914 77.09 0.00307516 -0.00327513 0.00188237 66
19763 133 H 23.49 40.8811 75.9611 0.0150162 -0.00165143 0.00317185 66
19764 134 H 17.3474 39.1442 79.4762 0.00672602 0.0089982 0.00800033 66
19765 135 H 17.5349 38.9244 77.0861 0.0151771 0.00640891 -0.0158875 66
19766 136 H 19.6721 38.7803 76.001 0.0029548 0.00475346 0.00246157 66
19767 137 H 24.639 34.8004 80.1892 0.00823061 0.00744211 0.00150069 66
19768 138 H 24.6533 34.7043 77.8327 -0.00271501 -0.0134616 0.0111691 66
19769 139 H 23.66 36.4129 76.4153 0.00832757 0.00467059 0.0044345 66
19770 140 H 22.0308 35.096 71.4852 0.0118229 0.00192774 -7.56542e-05 66
19771 141 H 22.8819 36.0199 73.6534 -0.0152686 -0.00326212 0.00220276 66
19772 142 H 17.9239 32.0385 67.5025 0.0037604 0.00414826 0.00132096 66
19773 143 H 17.894 31.7419 64.9592 -0.0096802 0.00585922 -0.0113565 66
19774 144 H 19.0586 33.9006 68.5431 -0.0101836 -2.96931e-05 0.00028386 66
19775 145 H 25.0371 36.3744 66.6385 0.00280261 -0.00217693 0.000808682 66
19776 146 H 24.8945 36.0103 64.2192 -0.00841115 -0.013199 -0.015442 66
19777 147 H 23.0588 36.2613 68.0264 -0.00811555 0.0215077 0.00610705 66
19778 148 H 17.9209 40.1673 66.8682 0.00702643 0.00108931 0.0105535 66
19779 149 H 18.0672 40.215 64.4569 0.0162355 0.00776366 -0.00221496 66
19780 150 H 20.0267 35.746 63.3563 0.00356479 0.00409669 -0.0045838 66
19781 151 H 18.8859 38.3299 68.1656 -0.00784947 0.00284988 -0.000254163 66
19782 152 H 22.0359 39.0922 81.0556 0.00567704 0.00938449 0.00210589 66
19783 153 H 23.0798 33.5161 62.6522 -0.000119615 -0.00287129 0.00128724 66
19784 154 H 21.449 33.8229 63.2862 -0.00303672 0.00630604 -0.00763722 66
19785 155 H 20.6379 33.4726 61.2849 0.00151881 -0.00746077 0.00216165 66
19786 156 H 22.2112 33.3722 60.5682 0.00177542 -0.00691321 0.0114963 66
19787 157 H 22.1126 36.0159 60.5077 -0.00657293 0.0042806 -0.00223778 66
19788 158 H 20.3678 35.6996 60.7457 0.00025945 0.00356437 0.00217263 66
19789 159 H 20.6187 34.0597 58.7649 -0.00519289 0.00428757 -0.00296172 66
19790 160 H 22.1978 34.7142 58.4568 -0.00601319 -0.00170945 -0.0120369 66
19791 161 H 21.3794 36.8567 57.8205 -0.00358304 0.0054599 0.010414 66
19792 162 H 19.7549 36.5087 58.4591 -0.00457125 0.0133096 -0.00679654 66
19793 163 H 20.1162 36.4787 55.9157 0.0156446 0.000616239 -0.00458793 66
19794 164 H 19.3194 34.9965 56.4604 -0.000524061 0.00273201 0.00429789 66
19795 165 H 21.413 33.7673 56.3404 0.0054062 0.0124724 0.0200963 66
19796 166 H 22.2579 35.2803 55.8903 0.00719491 -0.00946413 -0.00453776 66
19797 167 H 19.9899 34.0858 54.1513 -0.00607129 0.00753278 0.00158508 66
19798 168 H 21.6729 33.7219 53.9239 -0.00494177 0.00164232 -0.00195284 66
19799 169 H 22.0545 36.2668 53.9086 -0.000564325 -0.000673131 0.0053843 66
19800 170 H 20.3467 36.3877 53.6298 -0.00447165 -0.0138411 -0.00385398 66
19801 171 H 21.9538 34.6305 51.7042 -0.0173295 -0.00912556 -0.00168453 66
19802 172 H 21.774 36.4006 51.5254 0.00893056 -0.000256055 0.00582547 66
19803 173 H 19.2049 35.8374 51.8055 0.00170062 -0.00379278 0.00885968 66
19804 174 H 19.7055 34.1338 51.5059 -0.00665216 0.00405133 0.00408735 66
19805 175 H 18.9151 35.3493 49.4671 -0.000330281 -0.00738126 0.00247692 66
19806 176 H 20.6392 34.728 49.3673 0.00443437 0.00202532 0.00982999 66
19807 177 H 20.2232 36.4634 49.6107 0.00276959 -0.000728796 -0.0063505 66
19808 178 H 17.0512 33.8873 62.9484 -0.00410359 -0.00870027 -0.0116342 66
19809 179 H 18.2524 35.0243 62.2417 -0.00181135 0.00142252 0.00616044 66
19810 180 H 18.7198 32.7197 60.6759 0.00149009 0.00163882 0.00655497 66
19811 181 H 17.0725 32.4989 61.0769 0.00975118 -0.0095643 0.00633988 66
19812 182 H 16.5515 34.8646 60.1479 0.00216763 0.00236189 -0.00572404 66
19813 183 H 18.26 35.1626 59.9769 -0.0061976 0.00776958 -0.0043486 66
19814 184 H 17.0596 34.6709 57.8588 -0.00432076 0.00247206 0.0100277 66
19815 185 H 18.5485 33.8418 58.1367 0.00318758 0.00905579 -0.00298769 66
19816 186 H 17.5575 31.7437 58.1165 -0.00625416 0.000650128 0.00563861 66
19817 187 H 16.0684 32.2229 58.8973 -0.0177345 0.00791278 -0.0114108 66
19818 188 H 15.6285 31.5532 56.6384 -0.000292873 -0.00221015 -0.00175026 66
19819 189 H 15.3344 33.3539 56.7568 0.00371967 0.00157291 0.00574407 66
19820 190 H 17.7414 33.4751 55.7055 0.0132934 -0.00696512 0.0154773 66
19821 191 H 17.6862 31.6878 55.5346 0.000753909 0.0063236 -0.014288 66
19822 192 H 15.6399 31.7963 54.2137 -0.00544112 -0.00170823 -0.00821988 66
19823 193 H 15.7112 33.5797 54.2774 0.0156417 0.00841342 0.0185583 66
19824 194 H 17.8652 33.4966 53.0689 0.00574802 -0.00654757 -0.00921288 66
19825 195 H 17.6955 31.702 52.8816 -0.00782889 -0.00424227 0.00646271 66
19826 196 H 15.48 32.1317 51.8389 -0.0119047 0.0123558 0.00812105 66
19827 197 H 15.7377 33.8874 51.9376 0.0052698 0.001233 0.00510787 66
19828 198 H 17.8139 33.4051 50.3882 -0.00074853 -0.00560066 -0.0115041 66
19829 199 H 17.3303 31.7082 50.4037 -0.00307352 0.00217153 -0.00112939 66
19830 200 H 16.4876 32.8443 48.3451 -0.0118643 -0.00155946 -0.00114517 66
19831 201 H 15.1543 32.2876 49.3201 -0.00617233 0.00235141 -0.00837121 66
19832 202 H 15.5993 34.0321 49.3987 0.00684822 0.00277087 -0.00711699 66
19833 203 H 20.5503 39.483 62.5685 0.00126737 -0.00450555 0.00430862 66
19834 204 H 20.9308 37.7643 62.5675 0.00527134 0.0038415 -0.0109754 66
19835 205 H 20.9045 37.8829 60.3217 -0.0031603 -0.0066014 0.011859 66
19836 206 H 19.1562 37.8224 60.4028 0.00504638 -0.000344738 -0.0119109 66
19837 207 H 19.0353 40.145 59.8136 0.000809747 0.00824345 0.000760767 66
19838 208 H 20.6105 40.4818 60.6328 -0.008197 0.0093538 0.00054436 66
19839 209 H 21.3572 40.7159 58.6434 0.00920372 -0.00197919 0.0068871 66
19840 210 H 21.5681 39.002 58.6738 -0.0044856 9.32002e-05 0.00998616 66
19841 211 H 19.1855 38.7524 57.4661 0.00887732 -0.00264632 0.000536741 66
19842 212 H 19.3355 40.4925 57.2171 -0.00557732 0.000833502 0.0172048 66
19843 213 H 21.4322 40.2936 56.0528 -0.00259932 0.00605097 9.34482e-06 66
19844 214 H 21.6324 38.5973 56.495 0.0154455 0.0217173 -0.000477691 66
19845 215 H 21.128 38.4693 54.335 0.0125895 0.0148194 0.000870353 66
19846 216 H 19.4667 38.2645 54.9601 -0.004811 0.0106505 -0.00645871 66
19847 217 H 18.9323 40.6114 54.426 0.000956453 -0.00818159 0.00560353 66
19848 218 H 20.5309 40.9507 53.8614 -0.00442879 0.000850267 0.001076 66
19849 219 H 18.8845 38.6408 52.6358 -0.00260174 0.00593128 0.0130181 66
19850 220 H 18.7794 40.3433 52.0904 -0.00575231 0.00224772 0.00861639 66
19851 221 H 21.3258 40.2596 51.9531 0.00121852 0.000558776 -0.00945035 66
19852 222 H 21.203 38.4772 52.0724 -0.00533361 -0.00225811 -0.00344112 66
19853 223 H 19.6594 38.5505 50.057 0.00668879 0.00263069 -0.0130728 66
19854 224 H 20.0698 40.2713 49.8089 -0.0103595 -0.002676 -0.0136279 66
19855 225 H 21.5334 38.7675 48.4866 -0.00630011 0.00219869 0.00585482 66
19856 226 H 22.408 39.7973 49.6375 0.00373412 -0.00453169 0.0173376 66
19857 227 H 22.1212 38.0072 49.9494 0.0073203 0.00676467 0.00630938 66
19858 228 H 18.0627 40.6816 81.9683 0.00877237 -0.00442783 -0.000886994 66
19859 229 H 17.3308 39.1319 81.5375 -0.0027204 -0.0128721 0.0125135 66
19860 230 H 18.4261 37.9277 83.3211 0.0115689 0.000438307 0.00938848 66
19861 231 H 19.2058 39.4448 83.8177 -0.00305212 -0.00741191 0.0127061 66
19862 232 H 16.9468 40.3938 84.157 -0.00139755 0.00287033 0.010298 66
19863 233 H 16.2129 38.7947 83.8658 -0.000549094 -0.00817447 0.00627226 66
19864 234 H 17.3678 37.9276 85.918 -0.00393272 0.00157003 0.00645336 66
19865 235 H 18.4466 39.2131 85.9886 0.00340334 0.00608366 -0.0128606 66
19866 236 H 16.4508 40.8251 86.5443 0.000120323 -0.000530693 -0.0111195 66
19867 237 H 15.4593 39.3698 86.6045 0.0035019 0.00293758 0.00838261 66
19868 238 H 16.8851 38.3547 88.2734 -0.00408095 0.00203661 -0.0127995 66
19869 239 H 18.07 39.7344 88.2529 -0.00416463 0.014154 0.0113396 66
19870 240 H 16.4653 41.3284 89.0884 -0.0237131 0.00460784 0.00161205 66
19871 241 H 15.1954 40.1923 89.015 0.00202669 0.0163708 -0.00952764 66
19872 242 H 15.7704 40.1122 91.296 0.00339472 -0.00217398 0.00528035 66
19873 243 H 16.5071 38.6323 90.6205 0.0126648 -0.00245194 0.000804077 66
19874 244 H 18.671 39.9433 90.371 -0.00397055 -0.0137672 0.000336261 66
19875 245 H 17.9583 41.381 91.0557 -0.00545174 0.00200001 -0.00771445 66
19876 246 H 18.0155 38.6813 92.4748 0.0182759 -5.118e-05 0.0038029 66
19877 247 H 19.327 39.8587 92.6809 -0.000554834 0.00817654 -0.00633087 66
19878 248 H 17.6511 41.4614 93.6816 0.0181416 -0.000906959 0.0213976 66
19879 249 H 16.3663 40.3388 93.3803 -0.000772424 -0.0191146 0.00572267 66
19880 250 H 18.6466 39.5448 95.1736 -0.00201784 0.00162416 0.00412994 66
19881 251 H 17.1487 40.2873 95.7463 -0.00331782 0.000945736 -0.000945148 66
19882 252 H 17.0611 38.7216 94.8816 -0.00807612 0.00236312 -0.0117676 66
19883 253 H 24.3552 43.1959 81.5382 0.00446303 -0.00570507 0.00698688 66
19884 254 H 22.5784 43.3553 81.7055 0.000714967 0.000164715 0.00106226 66
19885 255 H 22.8058 41.6563 83.7089 -0.0111289 0.0114234 -0.00544916 66
19886 256 H 24.5481 41.5922 83.3564 -0.0107548 -0.0212375 0.0170716 66
19887 257 H 24.7086 44.0308 84.022 -0.000956412 2.80496e-05 0.00157838 66
19888 258 H 22.9384 43.9149 84.327 0.00115143 0.00675932 0.00767096 66
19889 259 H 23.5023 42.0401 85.9274 0.00724397 -0.00668247 0.0107446 66
19890 260 H 25.2063 42.4403 85.8323 0.00130472 -0.005668 -0.0173123 66
19891 261 H 24.6239 44.8419 86.5462 -0.00627849 0.00477606 0.00485646 66
19892 262 H 22.9916 44.1985 86.9542 -0.00359968 -0.0142466 -0.000414964 66
19893 263 H 24.3157 42.386 88.3031 -0.0138359 0.00253652 -0.011571 66
19894 264 H 25.737 43.3324 88.0213 -0.00121219 -0.00410354 -0.0102121 66
19895 265 H 24.5867 45.2788 89.3317 0.00926736 -0.00190101 0.00300035 66
19896 266 H 23.2193 44.235 89.5339 0.00284565 0.0117591 0.00266141 66
19897 267 H 24.6757 42.5563 90.6766 0.0132293 -0.0029022 0.00252182 66
19898 268 H 26.0816 43.6305 90.4311 -4.88011e-05 0.00213715 -0.0169814 66
19899 269 H 24.9854 45.3667 91.8461 -0.00331964 -0.000103833 0.00899011 66
19900 270 H 23.5852 44.2725 92.1015 -0.00244703 -0.016387 -0.0150146 66
19901 271 H 24.9973 42.6711 93.203 -0.00501863 0.0027907 0.00769086 66
19902 272 H 26.4655 43.6113 92.9843 0.000235338 0.0155105 -0.00698614 66
19903 273 H 25.3933 45.4054 94.5211 -0.014574 0.00598165 -0.000875806 66
19904 274 H 23.9146 44.5081 94.4506 0.00151182 0.00672849 -0.0150461 66
19905 275 H 24.9982 44.0918 96.585 0.00620034 -0.017284 0.00888931 66
19906 276 H 25.0084 42.572 95.7465 -0.0127949 0.0015691 -0.00344045 66
19907 277 H 26.4854 43.532 95.8432 -0.00256407 -0.00116633 0.00104893 66
19908 278 H 23.78 34.5592 82.0236 -0.0162261 0.00195801 0.00157768 66
19909 279 H 25.2256 35.5357 82.2183 -0.0032786 0.00214874 0.00433199 66
19910 280 H 23.0553 35.2913 84.3461 -0.00562482 0.0121895 -0.00444426 66
19911 281 H 24.4865 36.2055 84.5479 -0.00349714 -0.00333984 0.00490851 66
19912 282 H 25.9961 34.2802 84.3095 0.000123892 -0.000780779 0.000833466 66
19913 283 H 24.6787 33.1811 83.9072 -0.00664993 -0.000296056 -0.00286869 66
19914 284 H 25.7047 33.0534 86.1467 -0.000128982 0.000380932 -0.00512993 66
19915 285 H 23.9749 32.8484 86.0001 -0.00513491 0.0100605 0.000308417 66
19916 286 H 23.4995 34.9144 87.1025 0.00586882 0.0141423 0.00465098 66
19917 287 H 25.1184 35.522 86.8524 -0.00256449 -0.000831606 -0.00460651 66
19918 288 H 26.0176 33.7561 88.43 0.00140108 -0.00845151 0.010458 66
19919 289 H 24.3768 33.073 88.4798 -0.000502556 -0.000329724 -0.0127614 66
19920 290 H 23.5682 34.9825 89.7624 -0.00161998 0.000323099 -0.0204082 66
19921 291 H 25.1429 35.8011 89.6911 -0.00461432 0.00331143 -0.00788923 66
19922 292 H 26.2384 33.8206 90.8394 -0.0022828 -0.00553634 -0.0017014 66
19923 293 H 24.7276 33.0129 90.9413 -0.00727925 0.000790856 -0.00670638 66
19924 294 H 23.7691 34.884 92.316 0.000711618 -0.0137602 -0.000358665 66
19925 295 H 25.266 35.8417 92.1725 -0.00559737 0.00318507 -0.00377005 66
19926 296 H 26.4602 34.1888 93.6493 -0.00380711 -0.00274663 -0.00234579 66
19927 297 H 25.2249 32.9854 93.2067 -0.00580993 -0.00258037 -7.34208e-05 66
19928 298 H 24.974 33.5592 95.4514 0.00218469 -0.00775025 -0.00624528 66
19929 299 H 23.563 34.2151 94.6044 -0.00122416 -0.0110133 0.0098533 66
19930 300 H 24.2541 36.0336 96.1347 -0.0046784 0.00246379 -0.00817315 66
19931 301 H 25.0664 36.4271 94.5736 0.0180512 -0.000569171 -0.00534336 66
19932 302 H 25.9348 35.6205 95.8931 0.00177279 -0.00429191 -0.00123142 66
19933 1 C 27.9849 35.6855 80.2331 -0.00107135 -0.00175063 -0.00483647 67
19934 2 C 28.027 35.5754 78.8527 0.00501308 0.00239689 -0.00381767 67
19935 3 C 27.4732 34.4421 78.25 -0.00114416 -0.000150372 -0.000753815 67
19936 4 C 26.7799 33.4731 79.0221 -0.00223248 -0.00204743 0.00274664 67
19937 5 C 26.7329 33.5787 80.4289 -0.00381223 -0.0027652 0.00329909 67
19938 6 C 27.4182 34.7086 81.0618 0.00137224 0.00272098 0.00334842 67
19939 7 C 22.123 32.267 80.202 -0.00062174 0.00122187 -0.0024784 67
19940 8 C 22.2256 32.1361 78.8126 -0.00311405 -0.00381926 -0.000685813 67
19941 9 C 23.4837 32.19 78.2341 -0.000139931 0.000247637 0.00217856 67
19942 10 C 24.6601 32.2609 79.0538 0.00325485 -0.0032099 0.00220825 67
19943 11 C 24.5707 32.3224 80.4844 0.000512734 -0.000578241 0.00121272 67
19944 12 C 23.2411 32.3043 81.0775 -0.00426476 0.00289264 -0.00406774 67
19945 13 C 27.84 29.0228 80.7203 7.94879e-05 0.00114901 -0.000571276 67
19946 14 C 27.7968 28.9239 79.3154 -0.00262308 -0.000768144 -0.000676482 67
19947 15 C 27.264 29.9724 78.5435 0.00351834 0.00250451 9.30167e-05 67
19948 16 C 26.7076 31.052 79.204 -0.000377775 -0.00316248 0.00253321 67
19949 17 C 26.094 32.2213 78.4772 -0.0020579 -0.000370335 0.0019338 67
19950 18 O 27.2696 30.1298 82.7602 0.00205451 -0.00312905 0.00156703 67
19951 19 O 23.0368 32.356 82.4599 -0.0019241 -0.000480393 -0.00144956 67
19952 20 O 27.3725 34.9825 82.4352 -0.00240336 0.00264687 -0.00245191 67
19953 21 C 27.2898 30.1255 81.3923 0.000716618 0.00151846 -0.0011638 67
19954 22 C 26.1054 32.0575 76.9961 -0.00570399 -0.000112656 0.00174018 67
19955 23 C 25.977 31.8044 75.8219 -0.00426341 0.00165537 0.00121683 67
19956 24 C 25.6374 31.3554 74.5321 -0.00359596 0.00112909 -0.0021409 67
19957 25 C 24.7638 32.0976 73.6892 -8.79552e-06 -0.00689052 -0.00134897 67
19958 26 C 24.3258 31.5718 72.4914 -0.00275654 -0.00290925 -0.000600414 67
19959 27 C 24.6705 30.2868 72.1029 0.00287333 0.0035557 0.000932721 67
19960 28 C 25.4506 29.4975 72.9731 0.00511697 -0.00408782 -0.00203818 67
19961 29 C 25.9138 30.0097 74.1667 0.00115922 -0.00311527 0.00456447 67
19962 30 C 24.2904 29.8124 70.8252 0.00710657 0.0033695 -0.00254854 67
19963 31 C 24.0768 29.5106 69.6694 -0.00657631 0.00531508 0.00588475 67
19964 32 C 22.2749 25.8929 67.7727 -0.000603152 -0.00200944 -0.00644088 67
19965 33 C 22.3496 25.7847 66.3781 -0.00028443 0.00276225 0.000481414 67
19966 34 C 22.9186 26.793 65.6264 0.00149762 0.000316787 0.00096844 67
19967 35 C 23.4329 27.9336 66.2536 -0.00174951 -0.00153378 0.00262845 67
19968 36 C 23.394 28.0207 67.6574 0.00223643 0.000594758 0.00306717 67
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20538 2 C 35.5937 35.3068 78.2568 0.00202011 0.00277884 0.00056037 69
20539 3 C 34.9755 34.1795 77.7414 0.000549612 0.00242318 0.00175185 69
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20541 5 C 34.4668 33.4416 80.0475 -0.00133517 0.000136698 -0.00618345 69
20542 6 C 35.0631 34.6027 80.5598 -0.00102933 0.0023986 -0.00113274 69
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20544 8 C 29.9141 32.1139 78.9419 -0.00178476 -0.00465336 0.000710053 69
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20549 13 C 35.6408 28.7648 80.2296 -0.000360364 0.00334719 0.00234087 69
20550 14 C 35.5726 28.7601 78.8307 0.00135526 -0.000118052 -0.00102007 69
20551 15 C 34.9913 29.7969 78.1827 -0.00385108 -0.00119091 -0.000380305 69
20552 16 C 34.4017 30.8713 78.8843 0.00339172 -0.00603105 -0.00448598 69
20553 17 C 33.6648 32.0161 78.1805 0.00206992 0.00159278 -2.25708e-05 69
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20557 21 C 35.0733 29.8281 80.9765 0.000380178 -0.000414903 -0.00172395 69
20558 22 C 33.5587 31.7602 76.7195 -0.000801689 0.00225582 -0.00358711 69
20559 23 C 33.3043 31.4983 75.5575 -0.000823494 -0.00365047 -0.000985174 69
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20561 25 C 32.9903 29.7467 73.8648 0.00578569 -0.000532356 -0.00030351 69
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20576 40 C 35.7167 29.099 65.5442 0.00161003 0.00208482 0.00577908 69
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20582 46 C 30.0156 32.5344 65.2098 -0.000211083 0.00268407 0.00137439 69
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20584 48 C 31.2276 30.4523 65.4546 -0.00249837 0.000375353 0.000727356 69
20585 49 C 31.9613 29.2163 64.9613 -0.00385408 0.00226629 0.000561221 69
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20587 51 C 30.5917 31.7611 67.4476 0.00198324 0.00259009 0.00335443 69
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20594 58 C 34.4903 30.6743 61.5179 0.000471751 0.000906067 0.00360892 69
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20599 63 C 32.8138 28.6061 55.8572 -0.000593213 0.000132482 -0.0029566 69
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20601 65 C 32.5546 28.0932 53.3612 -0.00214941 0.000791974 0.00266099 69
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20603 67 C 32.5749 27.8123 50.8007 0.00352647 -0.000997839 -0.00131666 69
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20614 78 C 32.6288 23.5771 52.9795 0.000602569 -0.00302476 -0.00209019 69
20615 79 C 32.9926 24.2996 51.7045 0.00268572 -0.000337319 -0.00256311 69
20616 80 C 32.5205 23.5922 50.4162 -0.000102962 0.00417105 -0.00380922 69
20617 81 C 32.8466 24.3331 49.1179 -0.00139453 -0.000272759 -0.00167469 69
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20621 85 C 29.0689 31.5733 59.2275 0.000292221 -0.00202037 0.00511675 69
20622 86 C 29.2579 30.4225 58.2321 0.00368089 0.00289578 0.000661296 69
20623 87 C 28.8331 30.9915 56.8716 -0.00223103 -0.000864274 -0.00447793 69
20624 88 C 28.8511 29.8448 55.8633 0.000578814 -0.00186073 -0.00638092 69
20625 89 C 28.2477 30.1907 54.5032 -0.000779532 -0.00430248 0.00136423 69
20626 90 C 29.2896 30.8035 53.5694 -0.00347242 0.00382609 -0.000874739 69
20627 91 C 28.7592 30.944 52.1192 0.00436271 0.000565426 0.00266928 69
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20629 93 C 28.1966 29.7843 49.8771 -0.00337385 0.00160964 0.00273357 69
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20631 95 C 29.7704 32.9908 84.5766 0.00202178 -0.00152383 0.000873224 69
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20635 99 C 28.5914 32.261 89.1552 0.00233521 0.00173642 0.000485462 69
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20643 107 C 35.8102 36.1925 83.9199 -0.00056845 -0.00218679 0.000829784 69
20644 108 C 36.5141 37.497 84.4068 -0.000541514 0.000749233 -0.00140063 69
20645 109 C 36.287 37.7244 85.9234 0.00210398 0.00103808 0.000947585 69
20646 110 C 37.2052 36.8555 86.7937 -0.00259359 -0.00139195 -0.00423433 69
20647 111 C 37.3214 37.3432 88.295 0.000584744 -0.00288357 0.0012509 69
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20649 113 C 36.5823 37.2674 90.7482 0.00135499 0.000325642 0.00188072 69
20650 114 C 35.7418 36.5712 91.8373 0.000710685 0.0026351 -0.00254021 69
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20842 4 C 38.5104 40.1534 78.3604 0.000111448 0.00202998 -0.00113526 70
20843 5 C 38.4332 40.2385 79.7864 -0.00408959 -0.004559 0.0056282 70
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20846 8 C 33.9395 39.0963 78.1689 -0.0021429 0.00268658 0.00217672 70
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20849 11 C 36.3029 39.0635 79.7649 -0.000927999 -0.00312717 0.00172297 70
20850 12 C 35.0607 39.1873 80.376 0.00257668 -0.00307563 0.00371978 70
20851 13 C 39.8485 35.789 79.8029 -0.00207313 9.67866e-05 0.00302789 70
20852 14 C 39.8801 35.8183 78.4079 0.00210122 0.00485464 0.00579875 70
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20855 17 C 37.7749 38.9424 77.7615 -0.00171491 0.000890709 0.00486792 70
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20858 20 O 39.0644 41.5433 81.8061 -0.00279304 0.00256905 0.00326844 70
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20860 22 C 37.7828 38.8985 76.2926 -0.0015973 -0.000896361 0.00278245 70
20861 23 C 37.7321 38.6554 75.0945 0.00531028 -0.0016547 -0.00207746 70
20862 24 C 37.4634 38.3048 73.7597 0.00203536 0.000682986 0.00110717 70
20863 25 C 36.2596 38.7763 73.1515 -0.00103975 -0.0035884 0.00212282 70
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20865 27 C 36.6701 37.3087 71.2762 -0.00127718 -0.00178318 0.00277377 70
20866 28 C 37.8637 36.8247 71.8685 -0.00186491 -0.000527487 0.000562691 70
20867 29 C 38.2783 37.3367 73.1176 -0.00234895 0.00118943 -0.00315436 70
20868 30 C 36.3502 36.7891 70.0031 0.000259925 -0.00141221 0.00286099 70
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20870 32 C 33.8483 32.9698 67.3213 0.00114516 -0.00473401 -0.00376239 70
20871 33 C 33.8094 32.8194 65.9274 0.00452006 -0.000279399 0.00179157 70
20872 34 C 34.3415 33.7895 65.0743 0.00215964 -0.000601551 0.000672612 70
20873 35 C 35.0435 34.8944 65.5672 -0.00429942 -0.00480279 -0.00160889 70
20874 36 C 35.1724 35.0028 66.9808 -0.00144793 0.000114566 0.0022312 70
20875 37 C 34.5291 34.0932 67.8284 -0.000602366 -0.000156835 -0.000753808 70
20876 38 C 35.9843 36.2403 67.412 0.000652944 -0.00335 0.0015795 70
20877 39 C 39.7212 36.1035 66.4288 -0.0050961 -0.000135983 -0.00237661 70
20878 40 C 39.5854 35.9692 65.0383 -0.001007 -0.00269405 -0.00501685 70
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21561 119 C 47.5483 35.4736 83.7273 0.00369929 0.00438362 -0.00185058 72
21562 120 C 47.3776 35.1527 85.2268 -0.00247946 -1.7328e-05 0.00101476 72
21563 121 C 48.4788 34.3298 85.842 0.00111851 -0.000643632 0.000605809 72
21564 122 C 48.2147 33.6182 87.1846 0.000226382 0.0030552 -0.0057598 72
21565 123 C 48.1529 34.5756 88.3819 0.00273353 0.00263986 0.00561806 72
21566 124 C 48.3757 33.8506 89.6944 0.0041076 0.00323206 -0.00385955 72
21567 125 C 48.2699 34.7356 90.9089 -0.00160061 0.00119465 0.00149846 72
21568 126 C 48.5699 34.0039 92.2378 -0.00410344 -0.00244708 0.00297965 72
21569 127 C 48.532 34.9601 93.4601 -0.000846704 0.00440561 0.00221751 72
21570 128 C 49.1304 34.3234 94.7263 0.00364358 0.00487618 0.00199469 72
21571 129 C 49.2193 35.2976 95.9354 -0.000545453 -0.00315723 5.99456e-06 72
21572 130 F 45.6652 35.2238 74.6444 0.00189373 -0.000479521 -0.00447409 72
21573 131 H 47.7431 43.3819 79.7791 0.0107726 0.000823895 -0.00101239 72
21574 132 H 48.0838 43.0305 77.3902 -0.00184788 -0.00477963 0.000728858 72
21575 133 H 47.1799 40.8788 76.3527 -0.0105823 -0.00421188 0.00305175 72
21576 134 H 40.7225 38.9612 79.565 0.00350878 0.011674 0.00419225 72
21577 135 H 41.0725 38.8204 77.1454 0.00861183 -0.00568849 -0.0107194 72
21578 136 H 43.3488 38.7984 76.2062 0.00388291 -0.000703913 0.00142432 72
21579 137 H 48.009 35.2702 81.1561 -0.000976753 -0.00658489 0.00411987 72
21580 138 H 48.2217 34.7956 78.7092 -0.00526959 -0.00667822 -0.00588071 72
21581 139 H 47.2459 36.3088 77.0769 -0.00955517 -0.0163081 0.00218493 72
21582 140 H 44.6426 38.6329 70.756 -0.000836885 -0.000308447 -0.000883598 72
21583 141 H 45.5335 39.5205 72.9538 0.000498274 -0.00447618 0.00598798 72
21584 142 H 41.0984 32.0548 67.2806 -0.00209364 0.00429944 0.00115384 72
21585 143 H 41.0363 32.1194 64.7919 -0.00271694 0.00332239 0.000469373 72
21586 144 H 42.2835 33.788 68.6117 -0.0155616 -0.00896046 -0.000474195 72
21587 145 H 48.4145 36.3678 67.1823 -0.00598086 0.00667876 -0.000693867 72
21588 146 H 48.3107 36.4922 64.7328 0.00289079 -0.0036953 0.00480688 72
21589 147 H 46.3871 36.0974 68.5157 0.00305709 0.0154459 -0.00346436 72
21590 148 H 41.3176 40.1851 67.7671 -0.00785067 0.00146329 -0.0011517 72
21591 149 H 41.3044 40.3819 65.2942 -0.00713227 0.00201835 0.0132714 72
21592 150 H 43.4031 36.1999 63.7659 -0.00766535 0.00717653 -0.00272462 72
21593 151 H 42.4161 38.2365 68.8679 0.00625437 0.0121431 -0.00341993 72
21594 152 H 45.3761 39.3211 81.4056 0.00635042 -0.014106 0.00497491 72
21595 153 H 46.3578 34.5967 62.0459 -0.00602683 -0.00924636 3.18841e-05 72
21596 154 H 44.8929 34.5292 63.0197 -0.00663052 0.00204807 -0.000990102 72
21597 155 H 45.1657 36.8973 61.1109 0.00544685 -0.00347974 0.00365112 72
21598 156 H 43.7385 36.1163 61.5987 -0.00244704 0.00631924 0.000264933 72
21599 157 H 44.192 34.131 60.1789 -0.0076525 0.00680483 0.00963197 72
21600 158 H 45.7253 34.8224 59.7575 0.00114563 0.000900271 0.00296429 72
21601 159 H 44.4583 36.8791 58.683 -0.00473841 0.00489935 -0.000249294 72
21602 160 H 43.0061 35.9912 59.107 -0.0010855 0.00657287 -0.00744826 72
21603 161 H 43.618 34.2272 57.511 0.00836593 -0.0116452 0.00115594 72
21604 162 H 45.3097 34.7534 57.4268 0.00164401 0.016413 -0.00140429 72
21605 163 H 44.468 36.8532 56.1931 0.00470124 -0.002912 -0.00428631 72
21606 164 H 42.8905 36.1612 56.2168 0.00621721 0.0010275 -0.0132324 72
21607 165 H 43.8048 34.0558 55.0937 0.0176218 -0.0117985 -0.012443 72
21608 166 H 45.3642 34.7427 55.065 0.00159282 -0.00516535 -0.0128898 72
21609 167 H 44.7377 36.3933 53.4363 -0.00254673 -0.00106375 -0.00309604 72
21610 168 H 42.9895 36.1354 53.6349 0.00258647 0.00371206 0.00146647 72
21611 169 H 42.8579 34.0745 52.5854 0.000675718 0.00537023 -0.00854077 72
21612 170 H 44.6377 33.8162 52.7822 -0.00124477 -0.00014972 -0.0071469 72
21613 171 H 44.0624 34.0898 50.5135 -0.0133175 -0.00799706 0.0144635 72
21614 172 H 45.1536 35.4015 51.0466 0.00780574 -0.0107457 0.0146302 72
21615 173 H 43.2888 36.9935 51.152 0.00290188 -0.0066392 0.0127523 72
21616 174 H 42.164 35.714 50.5932 -0.00729369 0.0092363 0.00794749 72
21617 175 H 43.3949 35.4265 48.5206 -0.00202641 0.0015235 -0.00905766 72
21618 176 H 44.5619 36.7336 48.909 -0.00361885 -0.00296311 -0.0110151 72
21619 177 H 42.8957 37.133 48.6709 0.00945905 0.00329659 -0.00473497 72
21620 178 H 41.869 32.3718 62.0788 0.00531163 0.00357452 -0.000829667 72
21621 179 H 40.427 33.0961 62.8854 0.00214649 -0.00657483 0.00489973 72
21622 180 H 40.472 35.0215 61.5232 -0.00855098 -0.00272996 -0.00569524 72
21623 181 H 42.1034 34.768 60.961 -0.00269247 0.00100026 -0.0109135 72
21624 182 H 39.5523 33.1783 60.1337 -0.000881364 0.00411294 -0.0137753 72
21625 183 H 40.3504 34.5297 59.3055 -0.00296877 0.00707464 0.0150185 72
21626 184 H 42.4002 33.3075 59.0589 0.00189433 -0.00287281 -0.0189842 72
21627 185 H 41.5442 31.8252 59.7297 0.0144988 -0.00369392 -0.00931413 72
21628 186 H 41.6727 31.7799 57.1664 0.000821307 -0.0033498 0.00276996 72
21629 187 H 39.995 31.9078 57.6988 -0.00117361 0.00844584 -0.00527884 72
21630 188 H 39.7531 34.0674 56.7551 0.00374167 0.000520737 -0.00567511 72
21631 189 H 41.3964 34.5076 57.0233 0.00886395 -0.00911924 0.0138711 72
21632 190 H 41.4008 34.3346 54.7036 0.0205818 -0.00661744 -0.00292638 72
21633 191 H 42.134 32.8458 55.1704 -0.0101999 -0.0112338 0.00988442 72
21634 192 H 40.1573 31.5499 54.8942 -0.0179912 0.00365504 -0.00305255 72
21635 193 H 39.1917 33.0112 54.4337 0.00166593 0.00701683 -0.00202973 72
21636 194 H 41.6107 31.9422 52.9553 -0.000480603 -0.00351095 0.014245 72
21637 195 H 39.9816 31.3915 52.681 -0.00465598 0.00107424 0.00209791 72
21638 196 H 39.2285 33.5966 51.9047 -0.00270398 -0.00972805 0.00138052 72
21639 197 H 40.7528 34.3534 52.3214 0.0053615 -0.00281569 0.00204279 72
21640 198 H 40.8005 34.0197 49.9544 0.0086905 0.00171122 0.00514098 72
21641 199 H 41.8809 32.7617 50.5024 -0.00322591 -0.00203714 -0.00392811 72
21642 200 H 40.2559 31.8068 48.8163 0.00207282 -0.0122619 0.0070729 72
21643 201 H 39.7712 31.1491 50.3498 -0.00744634 0.00583089 0.0141559 72
21644 202 H 38.8679 32.5188 49.7748 -0.001366 -0.00929839 0.00908563 72
21645 203 H 43.5696 40.2288 63.4549 0.000620672 0.00211188 -0.00500395 72
21646 204 H 44.3665 38.6365 63.2065 0.000331386 0.00235914 -0.00847169 72
21647 205 H 43.3691 38.3911 61.0237 -0.00297483 -0.00280346 0.00894543 72
21648 206 H 42.1587 39.5676 61.298 -0.00429977 -0.000577525 0.00592341 72
21649 207 H 43.4259 41.4129 60.7586 -0.00141193 0.00228089 0.0064597 72
21650 208 H 44.882 40.7735 61.4978 -0.0046802 0.00018794 -0.000418541 72
21651 209 H 45.3724 40.8341 59.2398 0.00157198 0.00307729 0.00505067 72
21652 210 H 44.9235 39.1395 59.4445 0.00548673 0.0026007 -0.0294226 72
21653 211 H 42.5661 39.7129 58.5572 0.00342679 -0.00571914 0.00171449 72
21654 212 H 43.0954 41.3678 58.343 0.00726055 -0.00111391 -0.0106509 72
21655 213 H 44.9501 40.6467 56.795 0.0038524 -0.0021994 0.00749525 72
21656 214 H 44.4749 38.9332 57.006 -0.0050113 -0.00192554 -0.00248321 72
21657 215 H 42.2389 39.5248 55.9001 -0.00520352 0.004471 0.00448487 72
21658 216 H 42.7981 41.1897 55.7224 0.0103579 0.00275725 0.0030993 72
21659 217 H 44.8576 40.2946 54.5817 -0.00789291 0.00636105 0.0207659 72
21660 218 H 44.1579 38.6775 54.4989 0.00234708 -0.000708383 0.00212367 72
21661 219 H 42.3742 39.4556 53.0715 0.000957671 -0.0016909 -0.00670098 72
21662 220 H 42.9724 41.1144 53.0575 0.00700528 -0.0013947 0.00394519 72
21663 221 H 45.0963 40.5327 52.023 0.00461106 -0.00607769 0.00299518 72
21664 222 H 44.6969 38.791 52.1016 0.0183207 0.00215628 -0.00107471 72
21665 223 H 42.8131 39.1491 50.504 -0.0126537 0.0131504 0.00220029 72
21666 224 H 43.0993 40.8294 50.5285 0.00804837 -0.00550862 0.00657709 72
21667 225 H 45.2285 38.8554 49.5603 0.00548509 0.00464688 -0.010374 72
21668 226 H 44.0897 39.7279 48.4902 -0.00875579 -0.00692128 0.00354684 72
21669 227 H 45.2913 40.6038 49.4939 -0.000387794 0.00367178 0.00785896 72
21670 228 H 40.6469 39.5786 81.513 0.00156406 0.00471494 0.00962401 72
21671 229 H 41.0354 37.9041 81.877 -0.00256346 0.000323996 0.00491125 72
21672 230 H 42.1233 38.758 84.0521 -0.00837359 -0.00358775 0.00854398 72
21673 231 H 41.6271 40.3584 83.5724 -0.00804945 0.00354869 0.000211646 72
21674 232 H 39.2432 39.6624 83.5469 0.00692864 -0.00147271 -0.0139553 72
21675 233 H 39.6901 38.049 84.0396 0.00451375 0.00151591 -0.00322417 72
21676 234 H 40.2691 40.6522 85.6508 0.0112417 -0.00443591 0.00301985 72
21677 235 H 38.8114 39.5983 85.8177 -0.000124978 0.00361533 0.00208158 72
21678 236 H 40.2855 37.7661 86.7492 0.00328193 -0.00296611 -0.00295799 72
21679 237 H 41.6636 38.8401 86.5741 -0.00113363 0.00555992 -0.00181031 72
21680 238 H 40.7245 40.4774 88.1932 -0.00312762 0.0069214 -0.00273438 72
21681 239 H 39.2001 39.6699 88.1676 0.00397145 -0.00726782 0.00697979 72
21682 240 H 40.4215 37.5514 89.1648 -0.0103185 0.000575824 0.00859593 72
21683 241 H 41.7978 38.5643 89.389 0.00193846 -0.0139051 -0.0144679 72
21684 242 H 40.2461 40.2286 90.5368 -0.00837479 0.00169742 -0.00425757 72
21685 243 H 39.0043 38.8645 90.5859 0.00102875 -0.00712165 0.00312809 72
21686 244 H 40.6482 37.5136 91.8288 -0.0119399 -0.00358007 -0.00033274 72
21687 245 H 41.6884 38.9059 91.9507 -0.00104262 0.00263224 0.0121021 72
21688 246 H 39.6831 40.1807 92.9922 0.000538449 0.00400069 -0.00174938 72
21689 247 H 38.7853 38.6392 92.9232 0.00574512 -0.00505534 0.00173003 72
21690 248 H 40.6713 37.6201 94.4304 0.00663126 0.00446046 0.012161 72
21691 249 H 41.3016 39.2983 94.5971 -0.00340016 0.0162211 -0.00391153 72
21692 250 H 39.1721 39.8939 95.7094 -0.00619376 -0.00191052 -0.0119307 72
21693 251 H 38.4909 38.3116 95.2933 0.00192761 -0.00156459 0.00255296 72
21694 252 H 39.7498 38.363 96.471 -0.000379491 -0.0230804 -0.00598123 72
21695 253 H 48.5105 41.5744 82.634 0.0123819 0.00365868 -0.0111704 72
21696 254 H 48.3695 42.9627 81.562 0.00689245 -0.0137144 -0.00470944 72
21697 255 H 48.2322 44.0468 83.4495 -0.00779979 0.0117789 0.00700614 72
21698 256 H 46.5427 43.8499 83.0182 0.00345375 0.00614843 0.00687125 72
21699 257 H 46.0774 43.261 85.1296 -0.00145964 -0.00310952 0.0032179 72
21700 258 H 46.8702 41.757 84.7603 -0.0115635 0.00388718 -0.0127561 72
21701 259 H 48.7543 42.2881 86.0095 -0.00168094 -0.00481199 -0.00956328 72
21702 260 H 48.617 44.0194 85.6236 -0.00616307 0.00703065 -0.00389555 72
21703 261 H 47.0826 44.4102 87.301 -0.00144161 0.00203579 0.00138982 72
21704 262 H 46.5069 42.7541 87.3589 -0.0030368 0.0025241 -0.00700074 72
21705 263 H 48.688 42.1033 88.5629 0.0109041 0.00615556 -0.0025522 72
21706 264 H 49.2888 43.7309 88.2769 -0.00645314 0.00593082 -0.00960315 72
21707 265 H 48.3812 44.6842 89.9358 0.00493507 -0.00524602 0.00357549 72
21708 266 H 46.8166 43.8972 89.7612 -0.00680672 0.0126366 0.0123451 72
21709 267 H 47.5605 41.926 90.9876 0.00499963 0.000837871 0.0119482 72
21710 268 H 49.2037 42.314 90.9034 0.00444527 -0.00116537 0.000431125 72
21711 269 H 48.9714 44.3173 92.3173 0.000289226 0.00113225 0.00317744 72
21712 270 H 47.2145 44.1653 92.288 -0.00537923 -0.00539819 -0.00990658 72
21713 271 H 47.4684 41.8166 93.3695 0.00485344 -0.00690741 -0.00421892 72
21714 272 H 49.216 42.1796 93.5346 -0.00112037 -0.00202816 0.017864 72
21715 273 H 46.9868 43.854 94.7575 0.000790429 0.000313683 0.00539526 72
21716 274 H 47.7458 42.5011 95.6039 -0.0019559 -0.00285853 -0.00446871 72
21717 275 H 49.9766 43.7885 95.1675 -0.000837097 -0.0062748 -0.0024273 72
21718 276 H 48.8931 45.1516 94.7984 0.00236779 0.00212114 0.00687602 72
21719 277 H 48.8435 44.3086 96.4286 0.00772575 0.00626097 -0.000986926 72
21720 278 H 45.7181 36.695 83.8677 -0.00825279 -0.0103863 -0.00312169 72
21721 279 H 45.6922 35.5359 82.5177 0.0131714 -0.0116239 -0.00337705 72
21722 280 H 48.5281 35.939 83.564 0.00327179 0.00757129 0.0047201 72
21723 281 H 47.7632 34.5135 83.2421 0.0129776 0.00515929 0.00065777 72
21724 282 H 46.4346 34.6173 85.3923 -0.000943515 -0.00352136 -0.00155164 72
21725 283 H 47.3357 36.082 85.8083 -0.00011426 -0.00644485 0.0114548 72
21726 284 H 49.3235 35.0232 85.9368 -0.00993854 0.0123297 0.00410352 72
21727 285 H 48.8324 33.6026 85.1007 0.00908353 0.0131188 -0.00913622 72
21728 286 H 49.0086 32.8795 87.3506 -0.00197009 0.000695669 -0.00574741 72
21729 287 H 47.2804 33.0478 87.1131 -0.00133331 0.00413949 0.00608117 72
21730 288 H 47.1273 34.9647 88.3957 -0.000967573 -0.00710459 0.00699169 72
21731 289 H 48.8751 35.378 88.1871 0.00788038 -0.00112931 0.00921272 72
21732 290 H 49.3729 33.3934 89.6871 -0.0023919 -0.0111631 0.00973629 72
21733 291 H 47.6482 33.0399 89.8246 -0.0104776 0.0157778 -0.00727907 72
21734 292 H 47.2932 35.2275 90.9955 -0.000529485 0.00378837 -0.00118372 72
21735 293 H 49.0228 35.5316 90.8546 0.00331015 -0.00420995 -0.00928179 72
21736 294 H 49.5417 33.4981 92.1808 -0.00432773 -0.00261658 0.00065586 72
21737 295 H 47.8167 33.2118 92.3306 -0.00013218 -0.00586027 0.00600541 72
21738 296 H 47.506 35.274 93.6885 -0.00278579 -0.000212286 -0.000161064 72
21739 297 H 49.0974 35.8763 93.2499 -0.000175508 0.00144448 -0.00883293 72
21740 298 H 50.1043 33.841 94.5768 -0.00193032 -0.00552386 -0.000758281 72
21741 299 H 48.4234 33.5209 94.9702 0.00336225 0.00170736 -0.00920495 72
21742 300 H 48.3161 35.9103 96.0457 0.00867918 0.00931023 0.00650875 72
21743 301 H 49.9933 36.0645 95.8079 -0.00192842 -0.00161431 0.000849051 72
21744 302 H 49.218 34.7513 96.8867 -0.0139854 -0.00113198 0.00120263 72
ITEM: TIMESTEP
105000
ITEM: NUMBER OF ATOMS
21744
ITEM: BOX BOUNDS pp pp pp
0.0000000000000000e+00 4.7073061717199998e+01
0.0000000000000000e+00 4.0766467281007898e+01
0.0000000000000000e+00 9.6958885940000002e+01
ITEM: ATOMS id type element xu yu zu vx vy vz mol
1 1 C 1.71487 6.86648 31.7429 0.00159252 0.0023895 -0.0016315 1
2 2 C 1.87391 6.81251 30.3626 -0.000957895 -0.00311564 0.00510766 1
3 3 C 1.4221 5.69106 29.6856 0.000293794 0.00153082 0.00285351 1
4 4 C 0.766282 4.60882 30.3698 -0.00125377 0.00318731 -0.000679781 1
5 5 C 0.609062 4.67908 31.7751 -0.00347085 -0.0034479 -0.00241281 1
6 6 C 1.11082 5.82231 32.4981 0.000454747 -0.00383199 0.00359212 1
7 7 C -3.87915 3.27198 31.1009 -0.00382474 -0.00196062 -0.00188895 1
8 8 C -3.66227 3.22039 29.7039 -0.0021078 -0.00224394 7.72911e-05 1
9 9 C -2.35729 3.20301 29.1923 0.000109722 0.00189031 0.00103364 1
10 10 C -1.25064 3.34387 30.0846 -0.00420286 0.00062803 2.19727e-05 1
11 11 C -1.46984 3.41677 31.4887 0.00161606 0.00421726 0.00261172 1
12 12 C -2.81141 3.42614 31.9784 -0.00089996 0.00174436 0.00214138 1
13 13 C 1.67231 0.00372013 31.9454 -0.0014082 -0.00125891 5.44971e-05 1
14 14 C 1.94731 0.0403447 30.5766 -0.00366524 -0.00170355 -0.000518631 1
15 15 C 1.51789 1.12854 29.8521 -0.00242822 -0.0020273 -0.00216322 1
16 16 C 0.835823 2.18118 30.4602 -0.00158514 0.00327921 0.0016948 1
17 17 C 0.221008 3.35284 29.6849 -0.00305305 0.00277002 0.00100768 1
18 18 O 0.902182 0.94795 34.0395 -0.000226152 0.000621715 0.00270599 1
19 19 O -3.01449 3.62093 33.3473 -0.000337621 0.000514764 -0.0024595 1
20 20 O 0.968693 5.93709 33.8528 -0.000709753 0.00198356 0.00220734 1
21 21 C 1.03552 1.0667 32.6526 -0.00451811 -0.00191013 -0.00217812 1
22 22 C 0.540882 3.40664 28.2467 -0.000150942 -0.00177971 -0.00588157 1
23 23 C 0.995674 3.47351 27.1189 0.00148081 -0.00525573 -0.00457757 1
24 24 C 1.73001 3.65244 25.8961 0.000506279 -0.00150931 -0.00141238 1
25 25 C 1.37702 4.63846 24.9405 0.000308996 -0.0029844 0.00415019 1
26 26 C 2.16539 4.73469 23.7623 0.0019143 -0.000377091 -0.000170017 1
27 27 C 3.26815 3.92633 23.5484 -0.00164927 0.000339271 -0.000804335 1
28 28 C 3.57138 2.93613 24.4703 -0.00481406 0.00206499 0.00278252 1
29 29 C 2.83179 2.80729 25.6741 -0.00227401 0.00135885 0.0042607 1
30 30 C 4.06703 3.9635 22.3516 -0.00105265 0.000973663 -0.00364376 1
31 31 C 4.59311 3.84296 21.2822 0.00118553 -0.00184693 -0.0027767 1
32 32 C 3.22197 0.339322 19.2114 0.00174853 0.00200357 0.00466606 1
33 33 C 3.40193 0.280305 17.825 4.90457e-05 -0.000631575 -0.00314732 1
34 34 C 4.10744 1.27239 17.1275 0.00126534 -0.00117227 -0.000367107 1
35 35 C 4.60293 2.35673 17.8613 -0.00021754 0.000884109 0.0044812 1
36 36 C 4.44444 2.40594 19.244 0.000773613 -0.000582729 -0.00133359 1
37 37 C 3.72977 1.43523 19.9099 -0.00192265 0.000603408 0.000321854 1
38 38 C 4.96654 3.72839 19.8946 0.00326201 -5.1313e-05 -0.002076 1
39 39 C 8.79606 3.91559 19.9042 -0.000562585 0.00111205 0.00179887 1
40 40 C 9.00804 3.80669 18.496 0.00213188 -6.27714e-05 -0.00207594 1
41 41 C 7.93535 3.72865 17.5986 0.0020726 9.4088e-05 -0.00235218 1
42 42 C 6.67712 3.62376 18.1123 0.00474645 0.00259737 0.000919413 1
43 43 C 6.45853 3.70046 19.5008 -0.00412017 0.000266103 -0.000239204 1
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1448 240 H 11.1178 5.49752 40.5734 -0.000654774 0.00841638 0.00850339 5
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1453 245 H 9.42066 2.37315 42.1592 0.014535 -0.00395977 0.00433414 5
1454 246 H 8.70682 2.24104 44.5449 -0.00576031 0.00791669 0.0126612 5
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1459 251 H 10.0513 4.17967 47.4282 -0.00042406 0.00045328 0.00158369 5
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1464 256 H 17.7923 6.59909 35.9795 0.00202459 0.00496339 0.000219487 5
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1467 259 H 18.4196 9.99335 37.5969 0.000669073 -0.00641845 0.00857704 5
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1479 271 H 18.2621 9.00454 44.8077 -0.00493704 0.00713605 0.00348117 5
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1495 287 H 16.7579 0.0627829 39.0809 0.00153932 0.00429446 0.000380646 5
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1512 2 C 21.3927 13.3888 30.0238 -0.00123989 -0.00293088 -0.000592598 6
1513 3 C 20.8842 12.2824 29.3558 -6.35793e-05 7.77261e-05 0.00149577 6
1514 4 C 20.286 11.255 30.0908 -0.00324279 -0.000707334 -0.00178514 6
1515 5 C 20.159 11.3476 31.5137 -0.000541538 0.00150776 -0.0013678 6
1516 6 C 20.5783 12.5366 32.1856 0.000578391 0.000792459 0.000137606 6
1517 7 C 15.6828 10.1011 30.8758 0.00337303 -0.000709335 -0.00251722 6
1518 8 C 15.9065 9.92516 29.5154 -0.00186441 0.000179844 -0.00228963 6
1519 9 C 17.19 9.96217 29.0303 -0.00181616 0.00217461 0.000284732 6
1520 10 C 18.2519 10.0685 29.911 0.00298489 0.00295194 0.000740646 6
1521 11 C 18.0579 10.1355 31.3134 0.00170369 0.00570018 -0.000148807 6
1522 12 C 16.7445 10.2468 31.7927 -6.17481e-05 0.00230348 -0.00112979 6
1523 13 C 21.412 6.72613 31.746 0.00106715 0.00120381 -0.00253721 6
1524 14 C 21.4282 6.68185 30.3342 -0.00123322 -0.00432736 -4.14589e-05 6
1525 15 C 20.8903 7.7044 29.5816 -0.000257255 -0.00121886 -0.000488409 6
1526 16 C 20.2832 8.80256 30.2263 0.0044864 0.000229547 0.00179058 6
1527 17 C 19.6956 9.99544 29.4654 0.000464484 0.00601949 -0.000516737 6
1528 18 O 20.7773 7.79927 33.8188 0.000683015 0.00102077 -1.91664e-05 6
1529 19 O 16.512 10.4026 33.1733 -0.00303176 -0.000287063 -0.00408243 6
1530 20 O 20.3492 12.7745 33.5 -0.00118685 -0.00116771 0.000514932 6
1531 21 C 20.7832 7.80583 32.4158 0.00214295 0.000729406 0.00563813 6
1532 22 C 19.9694 9.89386 28.0109 -0.00296059 0.0017248 -5.44306e-05 6
1533 23 C 20.4389 9.90369 26.905 -0.00135052 0.00376842 -0.000826514 6
1534 24 C 21.2496 9.94118 25.7366 -0.00271713 -0.00353745 0.000134965 6
1535 25 C 21.6761 11.1952 25.2756 -0.00208822 -0.00314388 0.00054121 6
1536 26 C 22.6952 11.2663 24.3021 0.00364218 -0.00379288 -0.0028856 6
1537 27 C 23.2557 10.1281 23.7494 0.00207526 -0.00168971 0.00233194 6
1538 28 C 22.8453 8.8511 24.1974 -0.00214967 0.00511247 0.00508101 6
1539 29 C 21.8453 8.76926 25.2057 -0.00176193 0.00176369 0.000825896 6
1540 30 C 24.0394 10.2052 22.5883 -0.00201936 0.000657368 -0.00473034 6
1541 31 C 24.4937 10.2591 21.4658 0.00182829 0.000824869 0.00143564 6
1542 32 C 22.7028 7.14562 19.0755 0.00157943 0.00316099 0.00257962 6
1543 33 C 22.6814 7.29399 17.7095 -0.00274836 6.74021e-05 -0.000494649 6
1544 34 C 23.4117 8.35442 17.0946 -0.00353006 0.00148452 0.00124894 6
1545 35 C 24.0277 9.32969 17.8838 0.00248289 -0.00489201 -0.00274382 6
1546 36 C 23.8999 9.2556 19.2764 -0.000629922 0.00318799 0.00097079 6
1547 37 C 23.2939 8.10913 19.8743 -0.00488582 -0.000920715 -0.000691803 6
1548 38 C 24.7056 10.3763 20.0276 0.000556617 0.00374335 -0.00317248 6
1549 39 C 28.5337 9.86359 19.6109 0.00317285 -0.0052987 0.00167804 6
1550 40 C 28.624 10.0415 18.2213 -0.00138598 0.000915329 -0.000875434 6
1551 41 C 27.492 10.233 17.4309 -2.50746e-07 0.00477625 0.00450797 6
1552 42 C 26.2254 10.3459 18.0515 -0.000776541 -0.00313977 -0.00108838 6
1553 43 C 26.1249 10.2589 19.4697 0.000796467 0.00204361 0.00742279 6
1554 44 C 27.2738 9.99368 20.2732 0.000851367 0.000333887 -0.00443722 6
1555 45 C 23.1182 13.8998 19.5012 -0.00093371 -0.001774 -0.000895032 6
1556 46 C 23.2387 13.9969 18.1037 -0.000744524 0.00108972 0.000761031 6
1557 47 C 23.805 12.9377 17.3274 -0.00274089 -0.00410584 -0.00140964 6
1558 48 C 24.2465 11.7682 18.0185 -0.00177575 0.000345272 -0.000306342 6
1559 49 C 24.8659 10.518 17.3865 0.00476689 -0.000494499 0.00395747 6
1560 50 C 24.1727 11.6912 19.4219 -0.00130056 -0.00309122 -0.00659821 6
1561 51 C 23.5769 12.7434 20.1255 -0.000340623 0.0027153 -0.00428537 6
1562 52 O 27.6387 10.475 16.0633 -0.000498599 -0.000204507 -0.000910283 6
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1564 54 O 24.0487 13.199 16.028 -0.00210899 -0.000274666 -0.00452441 6
1565 55 C 19.4172 10.1325 32.1195 0.000881336 0.00545549 0.00179071 6
1566 56 C 20.2245 8.8656 31.6279 -0.000197862 -0.0021688 -0.000345198 6
1567 57 C 27.924 9.44344 15.0914 -0.00304121 0.00136757 0.0018265 6
1568 58 C 26.5921 9.01196 14.4568 -0.00146781 2.55316e-05 0.000606083 6
1569 59 C 26.12 9.91867 13.32 0.000104466 0.00399899 -0.00261906 6
1570 60 C 26.8133 9.49943 11.9891 0.00090455 0.00112988 -0.00251417 6
1571 61 C 26.3585 10.2983 10.7647 0.00260278 0.00275724 0.00401339 6
1572 62 C 26.6412 9.57483 9.42659 0.000822525 -0.00188484 -0.00300696 6
1573 63 C 26.3553 10.5377 8.22523 0.00317953 0.000306342 0.000710908 6
1574 64 C 26.5314 9.88711 6.8369 0.00503446 -0.000505885 0.000523403 6
1575 65 C 26.0441 10.8747 5.76661 3.2422e-05 0.00272953 -0.00493427 6
1576 66 C 26.4436 10.394 4.37319 0.00525659 -0.00225975 0.00298892 6
1577 67 C 25.8066 11.2053 3.23871 0.00401622 -0.000566504 0.00230613 6
1578 68 C 26.3808 10.9926 1.83396 -0.00284434 0.000483677 0.00405993 6
1579 69 F 23.0203 12.5223 23.7965 -0.000689291 0.000670754 0.00060146 6
1580 70 C 23.5821 7.1897 14.9454 0.00229663 -0.00256544 -0.0029321 6
1581 71 C 23.1591 7.62692 13.5253 0.000944914 0.00382093 0.00538424 6
1582 72 C 23.9785 7.01986 12.3839 -9.75656e-05 0.000481487 0.000519616 6
1583 73 C 23.7292 7.62269 10.9931 0.0010059 0.000242974 -0.000728162 6
1584 74 C 22.2453 7.76356 10.6742 -0.00534788 -0.000642905 0.00239479 6
1585 75 C 21.9212 7.43471 9.19326 -0.00214904 -0.0035467 -0.001119 6
1586 76 C 22.5586 8.36799 8.11455 -0.00120183 0.000432619 0.00117009 6
1587 77 C 22.3024 7.77526 6.74699 0.00270441 -0.00286868 -0.00163325 6
1588 78 C 22.8778 8.69383 5.60996 -0.000122827 -0.000757128 0.00212413 6
1589 79 C 22.6225 7.99164 4.28187 0.000492945 -0.000202446 -0.00283968 6
1590 80 C 23.1518 8.80641 3.10251 -0.00288304 0.000944646 -0.00237569 6
1591 81 C 22.6851 8.13008 1.79429 0.00102548 0.00393719 -0.00292211 6
1592 82 C 25.3541 13.6221 15.7241 -0.000482463 -0.00132712 0.00474595 6
1593 83 C 25.3436 14.53 14.462 0.00152489 0.000647124 -0.00385082 6
1594 84 C 25.6027 13.771 13.1606 -0.00623329 0.00334201 0.00241052 6
1595 85 C 25.3289 14.6413 11.9069 -0.00315973 -0.00596918 -0.000101204 6
1596 86 C 26.2481 14.2666 10.7439 -0.00057562 0.00272098 0.00383129 6
1597 87 C 25.995 15.0044 9.43795 0.00370409 -0.00498381 0.00269096 6
1598 88 C 26.8717 14.522 8.24099 -0.00186641 -0.00107966 -0.00426651 6
1599 89 C 26.443 15.2348 6.9341 7.18453e-05 0.00625825 -0.00470321 6
1600 90 C 27.2868 14.8179 5.69161 -0.00262878 -0.000878905 0.00323629 6
1601 91 C 26.615 15.2123 4.32217 0.00219165 -0.00152485 -0.000286721 6
1602 92 C 27.4478 14.7523 3.10265 -0.000529458 -0.000467977 -0.00503413 6
1603 93 C 26.5866 14.6619 1.80868 0.00167642 -0.00232141 0.00119447 6
1604 94 C 15.21 10.821 33.6952 0.000978801 -0.00310377 0.00527178 6
1605 95 C 15.0567 10.4776 35.189 -0.00382388 0.00154915 0.000351213 6
1606 96 C 13.5826 10.6201 35.6997 -0.000382987 0.000897278 -0.000400513 6
1607 97 C 13.4606 11.1506 37.1308 -0.00324326 0.00433292 -0.00521786 6
1608 98 C 13.8367 10.1974 38.2404 0.00119252 0.00130239 -0.00140356 6
1609 99 C 13.6819 10.876 39.6532 0.00347164 0.00469935 -0.0010924 6
1610 100 C 13.8656 9.88987 40.862 -0.000434888 0.00352864 0.000583188 6
1611 101 C 13.9162 10.6353 42.1996 -0.000216628 -0.00187273 -2.40348e-05 6
1612 102 C 13.8737 9.70357 43.4236 -0.000128327 0.0036378 0.00209037 6
1613 103 C 14.1395 10.4373 44.7725 0.00193671 0.000981492 0.00530737 6
1614 104 C 13.9019 9.59367 46.0048 -0.00408108 -0.000450472 0.00163126 6
1615 105 C 14.7218 9.95535 47.2139 -0.00147785 0.00295444 -0.000294202 6
1616 106 C 21.1453 13.7632 34.2007 0.00205312 -0.00240426 0.00369766 6
1617 107 C 20.7341 13.8054 35.6745 -0.000140643 -0.00143966 0.00152967 6
1618 108 C 21.7164 14.3497 36.6899 -0.0034481 -0.000350516 -0.00157663 6
1619 109 C 21.3379 14.0385 38.128 0.00239711 -0.000840589 -6.96143e-05 6
1620 110 C 22.3243 14.7653 39.0603 -0.00318949 0.000790415 -0.00282072 6
1621 111 C 22.8722 13.8396 40.152 0.00345759 -0.00285677 -0.00138685 6
1622 112 C 21.8936 13.5315 41.3077 -0.00224879 -0.0015373 0.000967596 6
1623 113 C 21.9174 14.6384 42.3979 -0.000584657 0.000205619 0.000334908 6
1624 114 C 21.0929 14.2724 43.6277 -0.00191801 0.00313443 -0.0033948 6
1625 115 C 21.4231 15.2399 44.7906 0.00171196 -0.000454834 0.00343948 6
1626 116 C 20.6808 14.7703 46.0686 -0.00444227 0.00339952 0.00193221 6
1627 117 C 20.9065 15.6972 47.2487 0.00286543 -0.0030854 -0.00421809 6
1628 118 C 20.5911 6.54864 34.579 -0.00261784 0.00195389 0.00382403 6
1629 119 C 21.9756 5.96413 34.9344 -0.00606345 0.000720907 -0.00375089 6
1630 120 C 22.1167 5.53315 36.4045 -0.00128726 -0.00366602 -0.00146765 6
1631 121 C 22.0562 6.68535 37.3708 -0.000831296 -0.00313503 -3.70634e-05 6
1632 122 C 22.3193 6.31155 38.8559 0.000965929 0.00134706 -0.00104683 6
1633 123 C 21.2014 5.49928 39.5276 -0.00012124 0.00207571 8.80511e-05 6
1634 124 C 20.9168 5.88096 40.9832 -0.000211658 0.00166851 -0.00117854 6
1635 125 C 21.9688 5.37704 41.9516 -0.00186039 -0.00124046 -0.00132155 6
1636 126 C 21.493 5.64203 43.3785 -0.000331534 -0.00159499 -0.00392016 6
1637 127 C 22.4442 5.16795 44.4805 -0.00187372 0.00334514 -0.000559311 6
1638 128 C 21.9056 5.45556 45.8875 0.000763175 0.000107201 0.00223451 6
1639 129 C 22.7081 4.89277 47.0351 -0.00184561 0.000856209 0.00213943 6
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1701 191 H 23.6185 8.55453 8.32747 0.000717195 0.00483915 -0.0123396 6
1702 192 H 22.6999 6.75412 6.69525 0.0102508 0.00100856 -0.0200606 6
1703 193 H 21.2168 7.70709 6.60485 0.00155264 0.00528326 0.00323091 6
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1730 220 H 27.4033 13.728 5.73571 7.39135e-05 -7.00343e-05 0.0163439 6
1731 221 H 25.6587 14.6805 4.24382 -0.00116801 0.0047542 -0.00177184 6
1732 222 H 26.441 16.2949 4.2863 9.00417e-05 -0.00218557 -0.00987423 6
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1734 224 H 27.9127 13.7858 3.33317 -0.00195261 0.000534792 0.00205472 6
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1741 231 H 15.7273 11.0013 35.8815 -0.00465416 -0.0027391 0.00441863 6
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1743 233 H 13.0323 9.6758 35.605 -0.00161124 0.00172578 -0.00154219 6
1744 234 H 14.018 12.0799 37.3017 -0.00819191 0.00656357 -0.00115976 6
1745 235 H 12.401 11.3832 37.2933 -0.00296104 0.0017284 0.000382088 6
1746 236 H 13.2278 9.28563 38.2025 -0.00156382 0.00281871 0.00624709 6
1747 237 H 14.8801 9.86257 38.1891 -0.00294878 -0.0147479 0.0181841 6
1748 238 H 14.48 11.6271 39.7017 -0.00960484 0.0191893 -0.0111506 6
1749 239 H 12.689 11.3318 39.7517 -0.000219934 -0.0050853 0.0071902 6
1750 240 H 12.978 9.24528 40.8719 0.00360987 -0.00211529 -0.00425804 6
1751 241 H 14.7072 9.20024 40.7223 -0.00723181 -0.00433415 -0.00170438 6
1752 242 H 14.8125 11.2675 42.2166 -0.00136908 0.000272467 -0.0186862 6
1753 243 H 13.0824 11.3425 42.2893 -0.00395953 -0.00599284 -0.0023905 6
1754 244 H 12.8727 9.25576 43.3941 -0.005092 0.0147799 0.00141804 6
1755 245 H 14.5512 8.84473 43.3407 -0.00384068 0.000318786 0.00596969 6
1756 246 H 15.1844 10.7711 44.7646 0.00303059 -0.0023402 0.00982963 6
1757 247 H 13.5221 11.3441 44.7845 -0.00077833 -0.000733257 -0.00347009 6
1758 248 H 12.8408 9.62361 46.2815 -0.00180959 -0.020795 0.0125844 6
1759 249 H 14.1263 8.5419 45.7883 0.00667301 0.00241313 -0.00108276 6
1760 250 H 14.5607 9.24537 48.0345 0.00663811 0.00165279 0.000165978 6
1761 251 H 15.7888 10.0184 46.9668 0.00243295 -0.0046136 0.0147164 6
1762 252 H 14.4384 10.9511 47.5767 -0.0160096 -0.0018736 0.00157654 6
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1764 254 H 20.9751 14.752 33.7573 -0.00248995 -0.0040276 0.00182341 6
1765 255 H 19.8493 14.4537 35.6574 0.00277986 0.00234678 -0.00662099 6
1766 256 H 20.3169 12.8312 35.9579 -0.0164099 0.00256027 -0.00846537 6
1767 257 H 22.6786 13.8423 36.5483 -0.00220108 -0.0013304 0.0103197 6
1768 258 H 21.8317 15.4359 36.5886 -0.00248511 0.000846007 0.0121422 6
1769 259 H 20.2999 14.3368 38.3202 0.00281929 -0.00550633 0.00941221 6
1770 260 H 21.4105 12.9586 38.3064 -0.0128618 -0.000330615 0.00918428 6
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1773 263 H 23.1519 12.8622 39.7396 0.0103421 -0.00359203 0.00500623 6
1774 264 H 23.754 14.3032 40.6113 -0.0039834 -0.0052955 0.0154419 6
1775 265 H 20.868 13.3865 40.9466 -0.00457869 0.00831572 0.00361863 6
1776 266 H 22.1742 12.5938 41.8031 0.00692894 0.00590507 0.00985985 6
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1778 268 H 21.5563 15.5794 41.9648 0.00311869 0.00652411 0.0109983 6
1779 269 H 20.0248 14.4024 43.414 -0.00423128 -0.00271548 0.00463431 6
1780 270 H 21.3444 13.2346 43.8788 0.0216042 0.0135284 0.0160635 6
1781 271 H 22.5109 15.3235 44.9053 0.000534584 0.0192354 0.0004135 6
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1785 275 H 21.9721 15.7126 47.5089 -0.00190374 0.0133981 0.0143045 6
1786 276 H 20.5445 16.6956 46.9739 -0.00835317 -0.00515495 0.00303253 6
1787 277 H 20.3907 15.3465 48.1511 -0.0006498 0.00421573 -0.00339391 6
1788 278 H 20.0312 6.69023 35.5117 0.00204595 -0.00930501 0.00834465 6
1789 279 H 20.0142 5.84999 33.9604 -0.000646675 0.00869398 -0.00564483 6
1790 280 H 22.6638 6.79895 34.7532 -0.00556003 0.00185997 0.00335818 6
1791 281 H 22.2723 5.10373 34.322 -0.00621703 0.00897195 -0.0153795 6
1792 282 H 23.0812 5.0168 36.4856 0.00205239 0.00412329 0.00817246 6
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1795 285 H 22.7828 7.44 37.0454 -0.00829347 0.00464469 0.00131048 6
1796 286 H 22.459 7.25265 39.402 -0.00765756 0.00972249 -0.0132853 6
1797 287 H 23.2499 5.7575 39.0302 -0.0114004 -0.0176029 0.00489831 6
1798 288 H 21.4664 4.43609 39.4747 0.00187677 0.00226493 0.00621716 6
1799 289 H 20.3143 5.67201 38.9058 0.00158034 -0.000748148 -0.00313219 6
1800 290 H 19.9249 5.5123 41.2725 0.00468169 0.00110512 0.014825 6
1801 291 H 20.7892 6.96892 41.0421 -0.0144399 -0.000410697 0.00678025 6
1802 292 H 22.9385 5.86183 41.7845 -0.00805432 0.00721765 -0.0126308 6
1803 293 H 22.1208 4.30005 41.8088 0.00466489 -0.000431518 -0.000488841 6
1804 294 H 20.5413 5.11401 43.5162 -0.00163896 -0.000368061 -0.00826791 6
1805 295 H 21.2959 6.70994 43.5339 -0.0101655 -0.00366006 -0.00217713 6
1806 296 H 23.4075 5.67675 44.352 0.000335779 -0.000199592 0.00196423 6
1807 297 H 22.6563 4.09532 44.3917 -0.0121983 0.000662174 0.00723648 6
1808 298 H 20.9082 5.01068 45.9905 0.00835886 -0.0112886 0.0265822 6
1809 299 H 21.7252 6.536 45.9465 0.00341357 0.00126834 -0.0105417 6
1810 300 H 22.6831 3.79644 47.0063 -0.0140751 0.00126649 -0.00365582 6
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1813 1 C 25.1603 6.95202 30.9271 0.00175848 -0.00466096 0.00340526 7
1814 2 C 25.2398 6.90003 29.5346 0.00198555 0.00520281 -0.00150198 7
1815 3 C 24.7076 5.8679 28.8321 0.00141388 -0.00131618 -0.00134039 7
1816 4 C 24.2067 4.72749 29.5405 0.00539517 0.000204979 0.000997473 7
1817 5 C 24.1627 4.72212 30.9401 0.00128121 -0.000566753 -0.0016383 7
1818 6 C 24.5671 5.88023 31.6317 -0.00198924 -0.00165552 0.00121832 7
1819 7 C 19.6229 3.3356 30.5461 0.00169006 -0.00293472 0.00249162 7
1820 8 C 19.7106 3.3837 29.1356 -0.00322887 0.00382662 0.00437484 7
1821 9 C 20.9776 3.48681 28.5554 0.00300463 0.00304151 -0.00382392 7
1822 10 C 22.1178 3.44509 29.3615 -0.00190607 0.00252763 0.00341357 7
1823 11 C 22.0232 3.35371 30.7754 -0.00216896 -0.00231768 -0.00215912 7
1824 12 C 20.7258 3.32486 31.3773 0.00324315 0.0005027 -0.00548828 7
1825 13 C 25.2581 0.0657897 30.7076 -0.00254474 0.00162569 -2.26141e-05 7
1826 14 C 25.4034 0.191965 29.3104 0.00289793 0.00538318 0.000298623 7
1827 15 C 24.891 1.31571 28.7105 6.31628e-05 0.00139152 -0.00306167 7
1828 16 C 24.2795 2.31483 29.4513 -0.00412867 -0.00143075 0.00418392 7
1829 17 C 23.5585 3.49636 28.824 0.00234529 -0.00101667 -0.000211784 7
1830 18 O 24.5479 0.898435 32.8524 -0.00128833 0.000592778 0.00266785 7
1831 19 O 20.6431 3.29436 32.7512 0.00111043 -0.00102932 -0.000801852 7
1832 20 O 24.5516 5.96158 33.0266 -0.0015707 0.0032926 0.00117385 7
1833 21 C 24.7032 1.08516 31.5015 -0.00548643 0.0056418 0.0028903 7
1834 22 C 23.7826 3.61118 27.3529 0.00206379 -0.000715613 -0.000975275 7
1835 23 C 24.2253 3.68393 26.2321 0.000325007 -0.00550654 -0.00262718 7
1836 24 C 24.9773 3.69852 25.0406 0.00159422 -0.00510774 0.00124721 7
1837 25 C 25.528 2.47462 24.5732 0.00319444 0.00117484 0.00265457 7
1838 26 C 26.5212 2.50476 23.604 0.00289521 0.000768029 -0.00246984 7
1839 27 C 26.8831 3.737 23.0294 0.000552894 -0.001722 -0.00152949 7
1840 28 C 26.3069 4.92975 23.4851 -0.00450102 -0.00541604 0.00655074 7
1841 29 C 25.3645 4.89574 24.5027 -0.000240568 -0.00055003 0.00308209 7
1842 30 C 27.8045 3.69512 21.9553 -0.00254463 7.61376e-05 -0.00090009 7
1843 31 C 28.3485 3.67992 20.8749 -0.00101051 0.00161322 0.000893737 7
1844 32 C 27.1968 0.22031 18.604 -0.00285242 -0.000855123 0.000562064 7
1845 33 C 27.414 0.202416 17.2037 0.00173313 -7.45748e-05 -0.00361409 7
1846 34 C 27.9903 1.29806 16.558 0.00187438 -0.000676062 0.00017353 7
1847 35 C 28.2888 2.43711 17.3648 -0.00181844 -0.00514283 -0.00184606 7
1848 36 C 28.0484 2.44248 18.7392 -0.000630497 -0.00153222 -0.00630683 7
1849 37 C 27.5019 1.33788 19.3647 -0.00106755 0.0014916 -0.00535075 7
1850 38 C 28.6358 3.68839 19.4525 0.000627566 0.00491208 -0.000190697 7
1851 39 C 32.5603 3.53146 19.1904 -5.35879e-05 -0.00353736 0.000771761 7
1852 40 C 32.6745 3.59335 17.7881 0.00386558 0.000870057 0.00204106 7
1853 41 C 31.5439 3.80418 17.0071 0.00103809 -0.00413324 0.00132612 7
1854 42 C 30.289 3.77994 17.5882 -0.0023902 -0.00169512 0.000282229 7
1855 43 C 30.1325 3.73173 18.9865 0.00250915 0.00237956 -0.000265407 7
1856 44 C 31.2634 3.55409 19.7903 0.0033327 0.00306111 -0.00309243 7
1857 45 C 26.5796 6.87057 18.6301 0.00145011 4.2405e-07 -0.00449659 7
1858 46 C 26.6222 6.82618 17.2253 0.00110337 -0.000297067 -7.63367e-05 7
1859 47 C 27.4462 5.84567 16.5882 0.00136795 -0.00103444 -0.00206639 7
1860 48 C 28.0817 4.86877 17.3556 -0.000848353 -0.00200559 0.00178986 7
1861 49 C 28.9605 3.71822 16.8405 0.0003401 0.00190053 0.0037697 7
1862 50 C 27.9112 4.84346 18.7413 0.00297342 0.00133784 0.000611513 7
1863 51 C 27.1953 5.88742 19.3869 -0.000627472 -0.0017786 0.00321998 7
1864 52 O 31.6523 4.10363 15.6684 0.00241051 -0.00633145 0.00070793 7
1865 53 O 28.2765 1.26095 15.2078 0.00387284 0.000679151 0.00113435 7
1866 54 O 27.6993 5.88459 15.2429 0.00108308 -0.00235406 -0.00290848 7
1867 55 C 23.4423 3.44663 31.4886 0.00129815 -0.000197947 0.00384547 7
1868 56 C 24.1669 2.23547 30.8691 -0.000786225 -0.00151662 -0.00297962 7
1869 57 C 31.7776 2.98226 14.7806 -0.000289637 -0.000286756 0.00184683 7
1870 58 C 31.8739 3.53916 13.3073 0.000339422 -0.00159118 0.00134586 7
1871 59 C 30.5172 3.55869 12.5239 0.000150756 -0.000560522 -0.00261378 7
1872 60 C 30.5378 2.73043 11.2669 -6.36374e-05 0.00591396 0.000268736 7
1873 61 C 30.8832 3.4258 9.94357 -0.00417411 -0.0014892 -0.00498 7
1874 62 C 30.4519 2.56901 8.71721 0.00288348 0.00345021 0.00491884 7
1875 63 C 30.4428 3.46096 7.45785 -0.00188675 9.89668e-05 -0.00233538 7
1876 64 C 30.2497 2.65445 6.15484 0.00548234 -0.00387053 -0.000109277 7
1877 65 C 30.1933 3.48466 4.84002 -0.000290385 -0.00198239 0.00333214 7
1878 66 C 30.1713 2.57352 3.61208 0.00197095 0.000103551 -0.00047716 7
1879 67 C 30.2098 3.48662 2.34724 0.00245702 -0.000541021 0.000978603 7
1880 68 C 30.538 2.63151 1.1267 0.00215549 -0.00213697 -0.00314292 7
1881 69 F 27.0514 1.35224 23.1359 -0.00141077 8.73176e-05 0.000356876 7
1882 70 C 28.6488 0.0289625 14.5928 0.00279446 -0.000366231 0.00319485 7
1883 71 C 29.2477 0.31775 13.2207 -0.000915915 0.00173467 -0.0013727 7
1884 72 C 29.4738 -0.992298 12.44 0.00574348 -0.00123961 0.0010194 7
1885 73 C 29.6572 -0.782085 10.9422 -0.00092209 0.00580823 0.000552215 7
1886 74 C 30.3973 -1.98614 10.3397 -0.00130686 0.00290312 0.00282385 7
1887 75 C 31.1278 -1.60585 9.04776 -0.00222341 0.00447491 -8.78807e-05 7
1888 76 C 30.1779 -1.42994 7.84837 -0.00249107 0.000823473 -0.00213496 7
1889 77 C 31.0152 -0.94503 6.66137 -0.00620534 -0.00292053 -0.00113963 7
1890 78 C 30.1633 -0.698054 5.41747 0.000552357 0.000226351 -0.00304846 7
1891 79 C 29.778 -2.03647 4.68832 -0.000706881 0.000743422 0.00445967 7
1892 80 C 29.0752 -1.84472 3.29727 -0.00125853 -0.00331954 -0.0047483 7
1893 81 C 29.9897 -1.24948 2.19445 -0.000906883 0.00583005 0.00436817 7
1894 82 C 26.9477 5.02892 14.3757 0.00313915 -0.00254394 3.48337e-05 7
1895 83 C 27.3673 5.30387 12.9018 0.00447861 0.00176259 0.00139353 7
1896 84 C 27.049 4.15857 11.9698 -0.00283204 -0.0019822 0.00301917 7
1897 85 C 27.5348 4.49046 10.5592 0.00209817 -0.00403548 0.00222994 7
1898 86 C 26.4898 5.33651 9.75935 -0.00282563 0.000270778 0.0048949 7
1899 87 C 26.8141 5.3704 8.29611 0.000263359 -0.00246552 0.000213476 7
1900 88 C 25.6313 5.92025 7.46201 0.000931043 -0.00465381 -0.00391401 7
1901 89 C 25.9676 6.24058 6.0149 -0.000283815 -0.000478312 0.0013589 7
1902 90 C 26.4918 5.01575 5.23074 -0.0043401 -0.00161121 0.00261457 7
1903 91 C 26.9488 5.31855 3.78771 0.00727669 -0.00343639 -0.0024028 7
1904 92 C 25.7456 5.85634 2.97809 -5.76669e-05 -0.00136154 -0.00315102 7
1905 93 C 25.9987 5.68719 1.51811 -0.00272675 -0.00167219 0.00270887 7
1906 94 C 19.3637 3.21216 33.4235 0.00214876 0.00603595 -0.000867064 7
1907 95 C 19.4946 3.1774 34.9704 -0.000289299 0.000720477 0.00494743 7
1908 96 C 18.3059 3.74992 35.7207 0.00326253 -0.000802543 0.00296264 7
1909 97 C 18.4076 3.59374 37.2614 -0.00412584 0.00126135 0.0032533 7
1910 98 C 17.2246 4.21204 38.0608 0.00615017 0.00129232 0.00112541 7
1911 99 C 17.5831 4.24606 39.5901 0.00370632 0.000190935 -0.00157156 7
1912 100 C 17.5664 2.87069 40.324 -0.00227932 0.000568206 0.00394235 7
1913 101 C 18.3171 2.79962 41.664 -0.00163431 0.00160663 0.00552707 7
1914 102 C 17.5151 3.14616 42.9286 -0.00676431 -0.00161835 -0.00109386 7
1915 103 C 18.3887 2.89107 44.2363 -0.00110046 -0.00209115 -0.00138948 7
1916 104 C 17.5914 3.03438 45.5715 -0.0042531 -0.00021825 -0.00169519 7
1917 105 C 18.4877 2.80781 46.7597 0.00139772 -0.00270406 0.00107152 7
1918 106 C 25.3516 6.99576 33.6663 -0.000900197 0.00146821 -0.00193954 7
1919 107 C 25.4587 6.99921 35.1935 -0.00371491 0.0023977 0.000708656 7
1920 108 C 26.2465 8.26151 35.6238 0.000511751 0.00464174 0.000198169 7
1921 109 C 25.933 8.89496 36.9858 0.000617379 0.00107519 0.00190111 7
1922 110 C 25.7633 7.92708 38.1901 -0.00123149 -0.00144846 -0.000257391 7
1923 111 C 25.7568 8.73814 39.5211 -0.000815779 0.00148937 0.00165735 7
1924 112 C 25.505 7.83485 40.7215 0.00143353 0.000539021 -0.00153346 7
1925 113 C 25.6329 8.55742 42.0972 0.0024861 -0.00145263 0.00252157 7
1926 114 C 25.3712 7.65304 43.2941 -0.00480619 0.00211322 -0.00127061 7
1927 115 C 25.3783 8.4094 44.6326 -0.00458939 -0.00032721 -0.00090461 7
1928 116 C 25.3799 7.52378 45.8562 0.00132047 0.00120737 0.0032759 7
1929 117 C 25.4194 8.27608 47.2049 -0.00297762 -0.00412542 -0.00160094 7
1930 118 C 25.3356 -0.118758 33.5404 -0.00221403 0.00662596 -0.000998215 7
1931 119 C 25.0738 -0.240959 35.0207 -0.00194832 0.00124239 -0.00447397 7
1932 120 C 25.8833 -1.43053 35.6698 0.00227269 0.0055672 0.00203541 7
1933 121 C 25.7424 -1.65539 37.1797 0.00109475 -0.00016008 0.0013227 7
1934 122 C 25.6562 -0.389075 38.0698 0.000835887 -0.000973718 -0.0014778 7
1935 123 C 25.6779 -0.83717 39.5337 0.000132469 -0.000469171 -0.00125475 7
1936 124 C 25.3224 0.268086 40.5591 0.000369553 -0.0054857 0.00603076 7
1937 125 C 25.0783 -0.182604 42.0033 0.000655062 -0.000370308 0.00245104 7
1938 126 C 26.2382 -0.904661 42.6883 -0.00221982 0.00551319 0.00337459 7
1939 127 C 25.7948 -1.31308 44.0981 -7.25982e-05 0.00312407 0.000512221 7
1940 128 C 25.5824 -0.176804 45.0934 -0.000639593 -0.00217758 0.000572024 7
1941 129 C 25.3019 -0.658918 46.528 0.0019461 -3.08092e-06 -0.00152369 7
1942 130 F 25.1311 1.27455 25.0893 0.000648659 -0.00150452 -0.0033198 7
1943 131 H 25.5671 7.87321 31.3336 0.00237146 -0.00382209 0.000919216 7
1944 132 H 25.6596 7.70672 28.9409 -0.00921878 0.0157112 0.00486917 7
1945 133 H 24.6766 5.93812 27.7488 -0.00255144 0.00392854 -0.000887377 7
1946 134 H 18.6384 3.31537 31.0041 -0.00296941 0.0145018 -0.00675102 7
1947 135 H 18.8373 3.37991 28.4901 -0.0054017 -0.00178447 0.00735439 7
1948 136 H 21.1264 3.57219 27.483 -0.0101821 0.00835711 -0.00520192 7
1949 137 H 25.6287 -0.840076 31.1782 0.00710602 0.00564974 0.000128901 7
1950 138 H 25.8548 -0.59574 28.7145 -0.00321441 0.00211294 -8.92273e-06 7
1951 139 H 24.9608 1.3274 27.6268 0.0111608 -0.00542389 -0.00243903 7
1952 140 H 26.6461 5.86813 23.0565 -0.000655917 -0.00250394 0.0159709 7
1953 141 H 24.9677 5.83772 24.8696 -0.0116557 -0.00527147 0.00283282 7
1954 142 H 26.7246 -0.64078 19.0675 -0.000934195 -0.0053308 -0.00578044 7
1955 143 H 27.1664 -0.71021 16.6697 0.00879263 0.00273986 -0.0116745 7
1956 144 H 27.3808 1.29762 20.4431 -0.0101433 0.00963112 -0.00607389 7
1957 145 H 33.4342 3.37745 19.8165 0.00509714 -0.00343764 -0.00640329 7
1958 146 H 33.6449 3.61467 17.301 0.00144822 -0.00204257 -0.00290299 7
1959 147 H 31.1835 3.49169 20.8715 0.00259909 0.00754606 -0.00288494 7
1960 148 H 25.9822 7.61953 19.1414 -0.00710231 -0.00577471 -0.00601907 7
1961 149 H 26.1223 7.59554 16.6442 0.0044536 -0.00249769 -0.0058835 7
1962 150 H 29.0824 3.68424 15.7508 -0.00129498 0.00659577 0.00344456 7
1963 151 H 27.0241 5.96004 20.4569 -0.00682487 0.00530783 0.00177026 7
1964 152 H 23.3865 3.38739 32.5825 -0.00506935 0.00118424 0.00359671 7
1965 153 H 32.7038 2.44509 15.0194 0.00460663 0.00780638 0.00109035 7
1966 154 H 30.9158 2.30465 14.8197 -0.00748313 0.00851922 -0.0035741 7
1967 155 H 32.5614 2.91661 12.7215 -0.00874729 -0.0117688 0.00150064 7
1968 156 H 32.299 4.5476 13.2316 -0.00158712 -0.00107911 -0.00274105 7
1969 157 H 30.2832 4.58401 12.2118 -0.0114253 0.00264851 0.0166908 7
1970 158 H 29.7458 3.20343 13.2184 -0.000839908 0.00721767 0.000264531 7
1971 159 H 29.4969 2.39837 11.1688 0.00453153 -0.00949739 0.00365553 7
1972 160 H 31.1024 1.79893 11.3974 -0.002342 0.00438708 -0.000702529 7
1973 161 H 31.9662 3.59907 9.92233 -0.00220164 -0.0138414 -0.00548834 7
1974 162 H 30.361 4.38952 9.89919 0.0010826 0.00166086 0.0016636 7
1975 163 H 29.4346 2.1963 8.88971 0.00668716 -0.00801928 0.0024106 7
1976 164 H 31.1749 1.75817 8.56505 0.0130743 0.0153846 -0.0105599 7
1977 165 H 31.435 3.92623 7.40964 -0.00184781 -5.84714e-06 -0.00254174 7
1978 166 H 29.7715 4.32684 7.51318 -0.00125248 -1.65236e-05 0.00702943 7
1979 167 H 29.347 2.04663 6.29326 -0.00749024 0.0148085 -0.0029197 7
1980 168 H 31.0578 1.9162 6.08228 -0.00931159 -0.0193898 -0.00726131 7
1981 169 H 31.0531 4.16571 4.85873 -0.0059974 0.00549962 -0.00749496 7
1982 170 H 29.3015 4.12278 4.81102 0.00340379 0.00266966 -0.00808361 7
1983 171 H 29.2672 1.95221 3.60315 -0.00583116 0.0114598 -0.00260941 7
1984 172 H 31.0567 1.92621 3.63276 0.000347987 -0.00220838 -0.00346951 7
1985 173 H 31.0484 4.16616 2.54294 -0.0132204 0.0188825 0.000423003 7
1986 174 H 29.2919 4.07566 2.22953 0.00629864 0.00446218 -0.00391948 7
1987 175 H 29.7433 1.89089 0.97377 0.0109305 -0.0101358 -0.00991998 7
1988 176 H 31.5224 2.15105 1.18518 0.00131765 -0.0043199 -0.00696741 7
1989 177 H 30.5262 3.2614 0.228648 0.0105557 -0.00652299 -0.00632157 7
1990 178 H 29.3445 -0.530374 15.2304 0.0130459 0.00787844 -0.000797143 7
1991 179 H 27.7767 -0.633428 14.5287 0.00413904 -0.00133705 -0.00485023 7
1992 180 H 28.5542 0.97324 12.6796 -0.00549974 -0.00452263 -0.00306815 7
1993 181 H 30.1735 0.900934 13.2996 0.0137025 -0.0210545 -0.00483545 7
1994 182 H 30.2593 -1.56386 12.9496 -0.010148 -0.0149912 0.0102273 7
1995 183 H 28.603 -1.62934 12.6386 -0.00992937 0.0168605 -0.00984325 7
1996 184 H 28.6689 -0.642059 10.487 -0.00717646 0.00607874 0.0141842 7
1997 185 H 30.1965 0.15429 10.7533 0.00400223 0.000792305 -0.0101478 7
1998 186 H 31.1018 -2.44046 11.0473 -0.00992853 0.0095559 0.0156784 7
1999 187 H 29.6566 -2.77371 10.154 0.0068069 -0.00562742 0.00664756 7
2000 188 H 31.7228 -0.693939 9.18115 0.00782096 -0.00277184 0.00470318 7
2001 189 H 31.8462 -2.39916 8.80701 -0.00306786 0.00416392 -0.00158362 7
2002 190 H 29.6127 -2.33922 7.60922 -0.00424327 0.00348864 -0.00814494 7
2003 191 H 29.4625 -0.624997 8.05735 -0.0116586 -0.00453961 -0.012881 7
2004 192 H 31.4389 0.024949 6.94964 -0.0158181 0.000377592 0.00194978 7
2005 193 H 31.8212 -1.64718 6.41471 -0.0111318 -0.00534355 -0.010384 7
2006 194 H 29.2856 -0.121813 5.73526 0.00282675 0.00668738 -0.00850251 7
2007 195 H 30.7494 -0.101215 4.70777 -0.00420676 0.000789409 -0.00650774 7
2008 196 H 30.6588 -2.67814 4.56225 -0.00636373 -0.00812754 0.00991342 7
2009 197 H 29.1646 -2.6719 5.33899 0.00634431 -0.0052552 0.00527672 7
2010 198 H 28.6754 -2.8107 2.96487 -0.00377614 -0.00368452 -0.000665869 7
2011 199 H 28.2127 -1.20233 3.51348 -0.00413983 -0.00567418 -0.00930406 7
2012 200 H 30.8122 -1.90463 1.88215 -0.00339091 0.00483941 -0.000100094 7
2013 201 H 29.4108 -1.09156 1.27608 0.00182119 -0.00778539 0.000277863 7
2014 202 H 30.5456 -0.350951 2.48947 0.00171959 0.00663542 -0.00299914 7
2015 203 H 27.1553 3.97712 14.6081 0.0100464 -0.00135068 -0.000720274 7
2016 204 H 25.8779 5.22627 14.5167 0.00495638 -0.00204599 0.0130784 7
2017 205 H 27.0021 6.26792 12.5268 0.00353666 0.00213355 0.00326861 7
2018 206 H 28.4578 5.40752 12.8425 0.00561999 -0.00289193 0.0146746 7
2019 207 H 27.581 3.24108 12.2502 0.00140441 -0.00584845 -0.0174853 7
2020 208 H 25.9797 3.92161 11.9076 -0.00244582 -0.00473308 0.00695187 7
2021 209 H 28.4911 5.02771 10.5461 0.000331696 -0.000851371 0.00404611 7
2022 210 H 27.6844 3.55891 9.99955 -0.0153052 -0.00126822 -0.0070711 7
2023 211 H 25.5041 4.87403 9.89369 0.00380485 -0.0137253 0.00538142 7
2024 212 H 26.397 6.34139 10.1895 -0.0152516 0.00201265 -0.00184645 7
2025 213 H 27.7474 5.91491 8.10685 -0.00950957 0.019347 0.0149806 7
2026 214 H 26.9827 4.34486 7.94504 0.00723905 0.000614218 -0.00543926 7
2027 215 H 24.7968 5.20873 7.49211 -0.00931324 0.00755809 0.000667499 7
2028 216 H 25.2946 6.83961 7.95679 -0.00123931 -0.0030422 -0.00839894 7
2029 217 H 25.0427 6.57027 5.5256 0.00582681 0.00909763 -0.00371222 7
2030 218 H 26.7096 7.0469 5.96319 -0.00851937 0.00642813 -0.00912784 7
2031 219 H 27.3539 4.58381 5.75379 -0.0031974 -0.00621043 -0.00306423 7
2032 220 H 25.7249 4.23631 5.14302 -0.00156241 -0.00509191 0.00937216 7
2033 221 H 27.8346 5.96564 3.78044 0.0133615 -0.0117736 -0.00520659 7
2034 222 H 27.2854 4.36849 3.35474 -0.000525142 -0.00501133 -0.005012 7
2035 223 H 24.8412 5.32774 3.30368 0.00291049 -0.000632679 0.00633521 7
2036 224 H 25.6043 6.92429 3.18527 -0.00623662 -0.00193202 -0.004442 7
2037 225 H 26.3306 4.67168 1.26915 0.00537095 0.00385715 -0.00906398 7
2038 226 H 25.0768 5.92498 0.973103 0.000235257 0.00838492 0.00206948 7
2039 227 H 26.7536 6.41838 1.20378 0.00588918 -0.0067332 0.0116661 7
2040 228 H 18.8729 4.15881 33.1657 -0.0101508 -0.000985317 -0.0031064 7
2041 229 H 18.797 2.36018 33.028 -0.00542945 0.0130717 -0.00516418 7
2042 230 H 19.654 2.16123 35.3517 -0.00791281 -0.000538785 0.00477975 7
2043 231 H 20.4018 3.73087 35.2426 0.00754729 -0.00857028 -0.00226334 7
2044 232 H 18.37 4.81066 35.4484 -0.00466583 -0.00282968 -0.00681311 7
2045 233 H 17.3316 3.43416 35.3279 0.00120946 0.00469663 0.00360386 7
2046 234 H 18.4536 2.50888 37.4174 0.0210493 0.00229561 0.00297472 7
2047 235 H 19.3464 4.06071 37.5837 0.00209808 0.00245976 -0.0165723 7
2048 236 H 17.053 5.24236 37.7255 0.00673976 0.00346774 0.0074894 7
2049 237 H 16.2894 3.64991 37.9473 0.00247883 0.00811544 -0.00235245 7
2050 238 H 18.5809 4.68566 39.7108 9.05839e-05 0.00499311 0.0109424 7
2051 239 H 16.9565 4.94505 40.1577 -0.00253269 -0.00478455 -0.00235215 7
2052 240 H 16.5157 2.61083 40.5021 -0.000635038 -0.0123225 -0.00515721 7
2053 241 H 17.9237 2.10011 39.6298 -0.0180113 0.00492206 -0.00903699 7
2054 242 H 18.777 1.81249 41.7963 0.00654782 0.0035704 -0.00817698 7
2055 243 H 19.2047 3.44384 41.643 -0.00374107 0.00441449 0.00290271 7
2056 244 H 17.1624 4.18356 42.8751 -0.00105305 0.000256136 -0.00237561 7
2057 245 H 16.6361 2.49713 43.0269 0.00346065 -0.015755 -0.00296821 7
2058 246 H 18.7982 1.87453 44.1878 0.000926247 -0.0014419 0.00219272 7
2059 247 H 19.223 3.60267 44.2684 0.0012053 -0.00597996 0.0250084 7
2060 248 H 17.1373 4.02682 45.6821 0.00192303 0.00096614 0.0131706 7
2061 249 H 16.8054 2.27003 45.6099 0.00449325 -0.00837594 0.0148942 7
2062 250 H 17.8912 2.86963 47.6782 0.00329354 -0.00403789 0.00239283 7
2063 251 H 18.8958 1.78967 46.743 0.000928882 -0.00303463 0.00951411 7
2064 252 H 19.3032 3.54155 46.7568 0.00301798 -0.00448285 0.0101309 7
2065 253 H 26.3916 6.94538 33.3207 -0.000805071 0.0187241 -0.00423116 7
2066 254 H 24.9579 7.9521 33.3005 0.00146076 7.00071e-05 -0.00818279 7
2067 255 H 24.4754 7.0153 35.6795 -0.00214529 0.000983304 0.00393313 7
2068 256 H 26.0108 6.13421 35.5812 -0.00417176 0.00612671 0.00969814 7
2069 257 H 27.3228 8.06852 35.5367 0.00172296 0.00177136 0.0218453 7
2070 258 H 26.1127 9.09978 34.9289 0.0164368 -0.00246772 -0.0114337 7
2071 259 H 26.73 9.61877 37.1965 0.00578727 -0.00433571 0.000932141 7
2072 260 H 25.0166 9.48584 36.8656 -0.0028322 -0.00506171 -0.00201218 7
2073 261 H 24.7886 7.4285 38.1214 -0.0039494 0.00213137 0.0121002 7
2074 262 H 26.5199 7.1332 38.2184 -0.00430271 -0.00378237 0.0168884 7
2075 263 H 26.7238 9.23187 39.678 0.000443383 0.00441878 -0.0154109 7
2076 264 H 24.9609 9.4929 39.5073 -0.000410369 0.00172818 -0.0082347 7
2077 265 H 24.4936 7.42415 40.6132 0.000269867 0.00464971 -0.0063026 7
2078 266 H 26.2169 7.00031 40.734 -0.0048594 -0.00460051 0.0156228 7
2079 267 H 26.6324 9.00107 42.1842 -0.00296866 0.0116824 -0.00167696 7
2080 268 H 24.927 9.38657 42.2303 0.000500736 -0.00183684 -0.00580509 7
2081 269 H 24.4197 7.1235 43.1612 -0.0075393 0.00885489 -0.00854499 7
2082 270 H 26.2051 6.94033 43.298 -0.000217556 0.00750359 0.00450868 7
2083 271 H 26.2694 9.03981 44.7414 -0.00536304 0.00290015 -0.0134183 7
2084 272 H 24.5285 9.0991 44.7077 -0.0126483 -0.0102572 -0.00106219 7
2085 273 H 24.4321 6.97473 45.7965 -0.000160275 0.00317294 0.00874654 7
2086 274 H 26.2189 6.81759 45.8268 0.00472835 0.00561072 -0.00512508 7
2087 275 H 25.1875 7.52047 47.9656 0.00748168 -0.00445078 0.00122339 7
2088 276 H 26.3861 8.77661 47.3408 0.00098797 -0.0115066 -0.00261577 7
2089 277 H 24.5963 9.00108 47.2226 -0.0047279 -0.00598092 -0.00658608 7
2090 278 H 25.2248 -1.13832 33.151 0.0233023 0.00279236 0.001687 7
2091 279 H 26.3592 0.215476 33.3312 0.000591876 -0.00441217 -0.00485447 7
2092 280 H 23.9944 -0.410606 35.1189 -0.00429537 0.0117537 -0.0118541 7
2093 281 H 25.2327 0.74189 35.4813 -0.000473388 0.0026489 -0.00798103 7
2094 282 H 26.9635 -1.31382 35.518 0.00315417 -0.00677447 -0.0011036 7
2095 283 H 25.685 -2.36471 35.13 0.00122254 0.0074041 -0.000760994 7
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2199 85 C 33.8529 13.8577 11.4737 0.000144933 0.00252806 0.00339053 8
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2203 89 C 34.9373 13.4697 6.47277 0.000223672 0.00357383 -0.00182344 8
2204 90 C 34.5504 14.1557 5.14125 0.000701015 0.000826086 0.00405262 8
2205 91 C 35.2108 13.5395 3.86542 0.00300554 0.0023611 -0.000346538 8
2206 92 C 34.6891 14.2278 2.61161 0.00198443 0.00500146 -0.000937409 8
2207 93 C 35.3437 13.7047 1.35625 -0.00187242 -0.00174794 0.00114381 8
2208 94 C 23.1301 10.2898 33.1276 0.000612043 0.00263878 -0.000714796 8
2209 95 C 23.2284 10.0388 34.6765 0.000402779 0.000797583 0.000536856 8
2210 96 C 22.0159 10.6697 35.3093 0.00470478 -0.000194936 0.00171531 8
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2212 98 C 22.3385 10.1446 37.8725 -0.00192326 -0.00185077 -0.00011923 8
2213 99 C 21.4128 9.93085 39.0899 0.000246566 0.00211379 0.00144038 8
2214 100 C 22.1678 9.91932 40.4171 0.00335665 0.000723132 0.00203126 8
2215 101 C 21.187 9.82238 41.5982 0.00328772 -0.00105399 0.000215749 8
2216 102 C 21.9428 9.79889 42.9378 0.00651772 -0.00391571 0.00207184 8
2217 103 C 20.927 9.64391 44.1171 -0.000687927 0.00517516 -0.00478421 8
2218 104 C 21.5027 9.65746 45.5488 -0.00375894 -0.00552862 0.00142193 8
2219 105 C 21.885 11.0653 45.9908 0.00153314 0.00218962 -0.000184197 8
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2223 109 C 29.6859 14.4248 37.4922 -0.00329578 5.70708e-06 0.00246394 8
2224 110 C 29.1047 15.2044 38.7016 -0.00190323 -0.0100661 0.00232761 8
2225 111 C 29.7898 14.8281 40.005 0.000896346 0.000144559 -0.00344442 8
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2228 114 C 28.78 15.2066 43.8239 0.00179373 -0.00119627 0.0036505 8
2229 115 C 29.4015 14.7457 45.1491 0.000754991 -0.00474723 -0.00143404 8
2230 116 C 28.5056 15.0557 46.4172 0.00130999 0.00029257 0.00105661 8
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2233 119 C 29.0803 5.99944 34.3636 -0.00167398 0.00414211 -0.00153793 8
2234 120 C 29.7399 5.63035 35.6904 0.00554328 -0.00157686 -0.000325676 8
2235 121 C 29.1456 6.27541 36.8841 0.00422037 0.000232643 -0.00190338 8
2236 122 C 29.9715 5.97223 38.1477 0.00289579 0.00395384 -0.000289854 8
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2238 124 C 29.942 6.10013 40.7178 -0.00120234 -0.00231951 0.00118062 8
2239 125 C 29.14 6.17169 42.0448 0.00224746 0.000986977 0.00260477 8
2240 126 C 29.9566 6.18782 43.352 -0.00325952 -0.00253047 -0.00117162 8
2241 127 C 29.0638 6.0036 44.5812 -0.00083896 -0.00150805 0.0015137 8
2242 128 C 29.8455 5.62133 45.8682 -0.00322237 0.000247132 0.00184011 8
2243 129 C 28.944 5.75529 47.1194 -0.00120237 -0.0014532 0.00202978 8
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2402 288 H 28.3196 5.42673 39.4397 -0.00174259 -0.00545927 -0.00302223 8
2403 289 H 28.5739 7.16792 39.3775 -0.000724107 0.000832437 -0.00827296 8
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2418 2 C 33.2071 6.71823 29.4891 0.000223967 9.37903e-05 -0.000220497 9
2419 3 C 32.7652 5.58252 28.8262 0.000982459 -0.00109923 0.000826997 9
2420 4 C 32.1729 4.54686 29.5838 -0.000624093 7.1358e-05 0.00142354 9
2421 5 C 31.9951 4.69093 30.9816 -0.0023092 0.000237779 -0.00155616 9
2422 6 C 32.4598 5.84107 31.6632 -0.000564864 0.002675 0.0027014 9
2423 7 C 27.5107 3.38691 30.3453 0.000346954 0.00381095 0.000839961 9
2424 8 C 27.7303 3.36416 28.9527 0.0020214 0.00111247 0.00219836 9
2425 9 C 29.0415 3.39185 28.5149 0.00112513 0.00210069 -0.00189184 9
2426 10 C 30.123 3.32771 29.3797 0.00299269 0.00124154 -0.00318506 9
2427 11 C 29.8895 3.39879 30.7668 -0.00325923 -0.00354204 0.00146402 9
2428 12 C 28.5424 3.37958 31.2925 -0.000371411 0.00208662 0.00160792 9
2429 13 C 33.1018 0.0971419 31.3756 -0.000265659 -0.00318673 -0.00202643 9
2430 14 C 33.2167 -0.0310752 29.9774 0.00433866 -0.0017175 -0.00350635 9
2431 15 C 32.7188 0.969188 29.1775 -0.00202116 0.00494627 0.00298648 9
2432 16 C 32.1146 2.12908 29.7465 0.00435717 -0.00262029 -0.0030346 9
2433 17 C 31.5888 3.28585 28.9559 0.00222774 0.000871874 -0.00306896 9
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2436 20 O 32.3293 6.06343 33.0191 0.0011434 0.00279987 0.000622228 9
2437 21 C 32.4624 1.19219 31.9885 0.00412495 -0.00333823 -0.00057802 9
2438 22 C 31.8773 3.1695 27.5364 -0.00447065 -0.00368792 -0.00408926 9
2439 23 C 32.3985 3.11914 26.4299 -0.00203313 -0.0046358 -0.00372712 9
2440 24 C 33.1854 3.1444 25.1952 0.00316729 -0.00140024 -0.000973938 9
2441 25 C 34.0065 2.07603 24.8218 0.00360997 -0.00467592 -0.00289054 9
2442 26 C 34.8676 2.17036 23.6909 -0.0019109 -0.00200819 0.00299069 9
2443 27 C 34.8856 3.35348 22.9245 -0.00285218 -0.000816078 0.000246896 9
2444 28 C 34.0483 4.4197 23.3105 -0.00495227 -0.00061404 -0.00244601 9
2445 29 C 33.2551 4.31663 24.4885 -0.00167277 0.00141749 0.000932679 9
2446 30 C 35.6421 3.45306 21.7225 0.00079925 0.000832612 0.000136563 9
2447 31 C 36.1626 3.41823 20.6232 0.000532552 0.000108174 -0.00280979 9
2448 32 C 35.0592 0.0108736 18.3523 -0.00288851 0.00379253 -0.000700861 9
2449 33 C 35.2371 -0.017592 16.9476 0.0010094 -0.00294943 -0.00494492 9
2450 34 C 35.8086 1.09512 16.2893 -0.00142224 0.000437881 -0.00347097 9
2451 35 C 36.2083 2.17979 17.0919 -0.00073446 0.00159555 -0.00319997 9
2452 36 C 36.009 2.16705 18.479 -0.000146771 -0.00170524 -0.000133738 9
2453 37 C 35.4147 1.10786 19.1408 0.00334976 0.00181398 -0.00208285 9
2454 38 C 36.5185 3.41201 19.1934 0.00410557 -0.00203685 -0.000283815 9
2455 39 C 40.3977 3.83968 19.0741 -0.00300775 -0.000874692 -0.0020193 9
2456 40 C 40.5533 3.99516 17.7006 0.000415288 -0.00365434 0.00131134 9
2457 41 C 39.4586 3.94468 16.8514 -0.00109912 0.00175037 -0.000688208 9
2458 42 C 38.2123 3.5627 17.372 0.00563269 -0.00340464 -0.00312937 9
2459 43 C 38.0077 3.4904 18.788 0.00317559 -0.00254488 0.00129449 9
2460 44 C 39.1447 3.66764 19.6475 0.000993524 -0.00043213 0.00329228 9
2461 45 C 34.6906 6.7485 18.2346 -0.0016742 -0.00364173 0.00249577 9
2462 46 C 34.8745 6.69513 16.8329 0.000815487 -0.00169544 -0.00397636 9
2463 47 C 35.6151 5.64104 16.2584 -0.00234908 0.00154657 -1.64703e-05 9
2464 48 C 36.111 4.60286 17.0545 0.00182718 0.00023333 -0.00119701 9
2465 49 C 36.9553 3.42973 16.5725 -0.000831032 0.00243889 0.0017698 9
2466 50 C 35.8838 4.65384 18.4533 -0.00468668 0.000803435 0.00140362 9
2467 51 C 35.1656 5.70466 19.0365 0.00342259 -0.00271362 7.49248e-05 9
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2472 56 C 31.9792 2.2415 31.148 -0.000843382 0.00168255 0.000243565 9
2473 57 C 39.643 3.33188 14.4856 -0.00100484 -0.00731428 0.00158745 9
2474 58 C 39.1904 3.95022 13.1677 0.00164273 -0.00112631 0.000794278 9
2475 59 C 38.6653 2.97498 12.0672 -0.00423128 -0.000265739 0.00469479 9
2476 60 C 38.6308 3.637 10.6764 -0.000227699 0.00243872 0.00068156 9
2477 61 C 38.2852 2.71808 9.48168 0.00175514 0.000881151 0.00104449 9
2478 62 C 38.2635 3.47753 8.12291 -0.00181822 0.00604018 0.00174355 9
2479 63 C 37.9901 2.55724 6.93996 0.0055218 -0.00175231 -0.00394992 9
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2481 65 C 37.4369 2.22117 4.51621 0.00158654 -0.00505536 0.00136052 9
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2483 67 C 38.3518 3.6981 2.5874 0.000594308 0.00286831 0.0022767 9
2484 68 C 38.7909 3.74936 1.12127 -0.00351491 -0.00428337 0.00057975 9
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2488 72 C 37.9605 -1.51894 12.9125 0.00623328 0.000922842 0.0014927 9
2489 73 C 37.4929 -1.18545 11.4437 0.00124156 0.00134712 0.00369997 9
2490 74 C 38.4397 -1.85418 10.4158 0.00135592 -0.00215784 0.00282966 9
2491 75 C 37.9181 -1.91177 8.98172 -0.000438599 -0.000181025 0.00232865 9
2492 76 C 38.3689 -0.706012 8.12152 0.000520256 -0.00275415 0.00153566 9
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2497 81 C 37.8261 -1.79546 1.76166 0.000774223 -0.00257482 0.00212155 9
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2499 83 C 35.1354 4.56105 12.7449 0.00485098 -0.00148323 0.000280257 9
2500 84 C 34.7407 5.84353 12.0121 -0.0028991 0.00153779 0.00173558 9
2501 85 C 33.9291 5.57735 10.736 0.0042991 0.0042688 0.00182858 9
2502 86 C 34.672 4.766 9.62788 -0.00109623 -0.00371669 -0.00414419 9
2503 87 C 34.239 5.26432 8.21619 -6.43348e-05 0.0026514 -0.000589243 9
2504 88 C 34.5454 4.46663 6.92688 0.0037364 -0.00191046 -0.00150367 9
2505 89 C 34.1903 5.25234 5.64759 0.00454622 0.00219805 0.00633918 9
2506 90 C 34.3845 4.5271 4.32647 -0.00169277 -0.000759989 0.00220599 9
2507 91 C 33.7093 5.21921 3.12657 0.00238568 -0.000529923 -0.00357937 9
2508 92 C 33.6418 4.30567 1.89647 -0.00267876 0.00265849 0.000606254 9
2509 93 C 35.0006 3.91288 1.2276 0.000703916 0.00157575 0.00259657 9
2510 94 C 26.848 3.58416 33.1127 0.000339118 -0.00505809 0.000547686 9
2511 95 C 26.6766 3.40687 34.6307 0.000125592 0.000312079 -0.0042568 9
2512 96 C 25.2206 3.51385 35.1208 -0.000349557 0.00522093 -0.00190753 9
2513 97 C 25.0987 3.19855 36.6596 -0.00401311 0.00187147 -0.00294832 9
2514 98 C 25.589 4.17731 37.7493 0.00365505 0.0034588 -0.0014535 9
2515 99 C 25.4848 3.4592 39.1085 0.000355317 -0.00517129 -0.00153169 9
2516 100 C 25.6258 4.29671 40.3952 -0.00341425 -0.000390239 0.00401481 9
2517 101 C 25.5673 3.38908 41.61 0.00174898 -0.00254167 0.00221358 9
2518 102 C 25.6068 4.14775 42.9424 -0.0001846 0.000176058 -0.00368176 9
2519 103 C 25.6366 3.15389 44.1406 -0.00158204 0.000414577 -0.00115704 9
2520 104 C 25.8962 3.80623 45.4969 0.00315183 0.00173383 -0.00274202 9
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2522 106 C 32.9437 7.27296 33.5639 -0.00453028 0.000468316 0.00485907 9
2523 107 C 32.9211 7.4904 35.0963 -0.0014726 0.000627169 -0.00366207 9
2524 108 C 33.847 8.66655 35.5037 0.000518958 0.00343968 -0.00124876 9
2525 109 C 33.8396 9.12945 36.9765 0.000827917 -0.00380954 0.00222834 9
2526 110 C 34.0025 8.0409 38.0277 0.00190613 -0.000533866 0.00410784 9
2527 111 C 33.8414 8.62711 39.4506 0.00487993 0.00258064 0.00176775 9
2528 112 C 33.4954 7.55864 40.5241 0.000868216 3.34335e-05 -0.000298316 9
2529 113 C 33.0423 8.09907 41.9121 0.00326999 0.00136939 -0.00253036 9
2530 114 C 34.2061 8.7494 42.6976 0.00382088 0.000713143 0.000393177 9
2531 115 C 33.8166 9.23813 44.1031 -0.00150042 -0.000360398 0.00313689 9
2532 116 C 33.4119 8.0987 45.0473 -0.00011541 -0.00107832 0.00113945 9
2533 117 C 33.5322 8.55754 46.5384 -0.00268754 -0.0014953 -0.00521238 9
2534 118 C 32.8334 0.11798 34.2001 -0.00172674 -0.00565983 -0.00333886 9
2535 119 C 32.3346 0.149633 35.6623 -0.0015224 0.000876748 -0.00245773 9
2536 120 C 33.1681 -0.60604 36.6303 0.00106153 -0.00533132 0.00106142 9
2537 121 C 32.801 -0.400952 38.1187 -0.000300393 0.000472122 -0.000371408 9
2538 122 C 33.8684 -0.934654 39.0456 0.00133852 -0.00131725 -0.001611 9
2539 123 C 34.06 -0.152546 40.3515 -0.00108779 0.000548707 -0.00190936 9
2540 124 C 33.0239 -0.378979 41.4273 -0.00209471 -0.00118393 -0.000253911 9
2541 125 C 33.1998 -1.71266 42.1433 0.00425843 0.000403366 -0.00555445 9
2542 126 C 33.006 -1.66607 43.6862 0.00137759 -0.00206224 0.00103816 9
2543 127 C 34.1079 -0.834601 44.4107 0.000142287 0.000634142 0.000925391 9
2544 128 C 34.1564 -1.20946 45.8992 0.00257411 0.003541 0.00159542 9
2545 129 C 33.0119 -0.601337 46.735 -0.000491585 0.000949934 -0.00281616 9
2546 130 F 34.0341 0.937334 25.5991 0.000638961 -0.00309682 0.00308317 9
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2602 186 H 39.4102 -1.34373 10.4481 0.00686052 -0.0128057 0.00546087 9
2603 187 H 38.6211 -2.88405 10.7473 -0.00550843 -0.00751347 -0.0100715 9
2604 188 H 38.3597 -2.81137 8.53549 0.000962503 -0.00423874 0.0118893 9
2605 189 H 36.8268 -2.01939 9.01374 -0.00178214 0.0124675 -0.0011454 9
2606 190 H 37.6 0.0763926 8.12547 0.00814134 0.00473256 0.00375791 9
2607 191 H 39.2687 -0.268355 8.57129 0.00295638 -0.00901055 0.00275954 9
2608 192 H 39.3329 -0.145478 6.27669 -0.00202282 0.00458919 0.0101447 9
2609 193 H 39.6473 -1.77768 6.69415 0.00261072 -0.00105731 -0.00293276 9
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2618 202 H 37.0368 -1.7561 1.00082 0.00294176 0.00109638 6.71186e-05 9
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2620 204 H 33.8273 4.88032 14.5117 0.00724704 0.0127075 0.00738124 9
2621 205 H 36.1708 4.32254 12.472 0.00528924 -0.00718448 0.00696989 9
2622 206 H 34.5229 3.72852 12.3772 -0.00183001 0.00290027 0.00146565 9
2623 207 H 34.0848 6.39725 12.6951 -0.0101914 -0.00553675 0.000482478 9
2624 208 H 35.641 6.44072 11.8218 -0.00308373 -0.00120331 -0.00770047 9
2625 209 H 32.9787 5.1169 11.0328 0.00390561 -0.00251455 -0.0100031 9
2626 210 H 33.6887 6.56283 10.3183 -0.00474596 -0.00119864 -0.0058422 9
2627 211 H 35.7599 4.8754 9.71691 -0.00341523 0.0112507 0.00576672 9
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2629 213 H 33.1432 5.28458 8.26289 0.000143529 0.0127236 -1.20451e-05 9
2630 214 H 34.5359 6.30781 8.05365 0.0064937 0.00423452 0.0217442 9
2631 215 H 35.6189 4.24302 6.89565 0.00360154 -0.00311886 0.00252023 9
2632 216 H 34.0625 3.48249 6.96807 -0.001303 0.000419874 -0.0052809 9
2633 217 H 33.1365 5.53798 5.75344 0.00151425 -0.00843547 0.00475803 9
2634 218 H 34.768 6.18487 5.63556 0.00395408 0.00236265 -0.00838233 9
2635 219 H 35.466 4.43232 4.16911 -9.79104e-05 0.0129835 0.00488667 9
2636 220 H 33.9729 3.51221 4.38964 0.00420834 -0.00370814 -0.00653785 9
2637 221 H 32.6868 5.47703 3.42898 0.00310868 0.00396489 -0.00498437 9
2638 222 H 34.2622 6.1391 2.89951 0.00690241 -0.000122748 0.00900488 9
2639 223 H 33.0567 3.41414 2.15377 0.0125011 -0.00485261 0.00887767 9
2640 224 H 32.985 4.75195 1.13959 -0.00760826 -0.00280892 0.00163747 9
2641 225 H 35.5769 3.24448 1.87912 -0.00691447 0.00528021 0.0131315 9
2642 226 H 34.8805 3.366 0.284248 0.00829712 0.00467429 -0.000170063 9
2643 227 H 35.5811 4.81677 1.00548 0.00999069 -0.00576733 -0.00295505 9
2644 228 H 26.4898 4.56114 32.7654 -0.00618221 -0.00854317 -0.0025685 9
2645 229 H 26.2092 2.84888 32.608 -0.00179773 -0.00175613 -0.0015695 9
2646 230 H 26.9721 2.38519 34.8995 0.00806174 0.00425468 0.00201247 9
2647 231 H 27.2658 4.15073 35.1812 -0.0117767 -0.00273638 0.0126049 9
2648 232 H 24.7789 4.49701 34.9165 -0.00774613 0.000416477 -0.00898577 9
2649 233 H 24.6397 2.76982 34.5619 0.0061737 0.00253801 -0.00513021 9
2650 234 H 24.0875 2.83271 36.8764 -0.00186637 -0.00600464 -0.00612139 9
2651 235 H 25.7127 2.29969 36.7956 -0.00476561 0.00196162 0.00100572 9
2652 236 H 26.63 4.48707 37.5954 0.000365356 0.00842023 -0.0136971 9
2653 237 H 25.0161 5.1122 37.7836 -4.72133e-05 0.000741292 0.0110106 9
2654 238 H 24.4872 3.02652 39.2537 0.00422501 -0.0136085 -2.18559e-06 9
2655 239 H 26.1178 2.56352 39.1293 0.00610598 -0.00113309 -0.00366736 9
2656 240 H 26.5509 4.88629 40.4024 -0.00815539 0.00717889 -0.0045947 9
2657 241 H 24.8054 5.0245 40.4208 0.00379368 0.00729897 0.0161359 9
2658 242 H 24.7011 2.72063 41.5308 0.00124414 -0.000601754 -0.00874949 9
2659 243 H 26.4415 2.72685 41.6337 0.00363944 0.000233094 0.0104773 9
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2662 246 H 24.6942 2.59605 44.2051 0.00125409 -0.00491963 -0.00592837 9
2663 247 H 26.4678 2.45457 43.9876 0.00211379 0.00546714 -0.00421484 9
2664 248 H 26.8523 4.34104 45.4399 -0.00236237 0.0120231 0.000989368 9
2665 249 H 25.1844 4.62305 45.6689 0.00263345 0.000600829 0.000514378 9
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2667 251 H 24.824 2.43969 46.8734 -0.000602086 0.0016587 0.00662379 9
2668 252 H 26.5384 2.02611 46.7056 0.00905834 0.00917757 -0.012732 9
2669 253 H 34.0133 7.27436 33.3203 -0.00527795 0.0293049 0.00172291 9
2670 254 H 32.4628 8.15218 33.1176 0.00438937 -0.000745412 -0.00711443 9
2671 255 H 31.8808 7.62563 35.4171 -0.00442646 -0.00918695 -0.00900439 9
2672 256 H 33.2408 6.59628 35.6456 0.0148379 0.00393352 -0.0078526 9
2673 257 H 34.8831 8.47255 35.1998 -0.0065172 -0.0135471 -0.0143303 9
2674 258 H 33.6642 9.56024 34.8943 0.00348658 0.00275413 -0.00314687 9
2675 259 H 34.6737 9.8295 37.1088 -0.00716286 0.00671089 -0.00309683 9
2676 260 H 32.9276 9.71227 37.1556 -0.00167814 -0.00699283 -0.00018496 9
2677 261 H 33.2251 7.29763 37.8118 0.00231429 0.000927769 -0.0024416 9
2678 262 H 34.993 7.57248 37.9748 0.00878108 0.0147245 -0.00230925 9
2679 263 H 34.7336 9.18755 39.7562 -0.0103441 0.0144043 0.0245919 9
2680 264 H 33.0308 9.36477 39.4039 -0.0188044 -0.0246955 -0.018148 9
2681 265 H 32.6966 6.97981 40.0442 0.00472905 -0.00116329 -0.00531129 9
2682 266 H 34.2995 6.82995 40.685 -0.00352419 -0.00257139 0.00995651 9
2683 267 H 32.2492 8.83633 41.7364 0.000559679 0.000103325 0.00443684 9
2684 268 H 32.609 7.26452 42.4771 0.0104394 0.00444478 0.00749159 9
2685 269 H 35.0448 8.04293 42.7279 0.00366771 0.000495322 -0.000409697 9
2686 270 H 34.5794 9.63044 42.1611 -0.00227526 -0.00806469 -0.018217 9
2687 271 H 34.6309 9.8007 44.5762 -0.0099 0.0116845 0.00327426 9
2688 272 H 32.9627 9.92078 44.0121 0.00191266 0.00425211 0.00571544 9
2689 273 H 32.3695 7.80194 44.8777 0.00329704 -0.0043008 -0.0140039 9
2690 274 H 34.1019 7.27074 44.8429 0.00342588 0.00428182 -0.00872334 9
2691 275 H 34.5251 8.97896 46.7382 -0.00718963 -0.000162976 0.0142818 9
2692 276 H 32.7761 9.31585 46.7763 0.00121481 0.0021723 -0.00451418 9
2693 277 H 33.4132 7.66722 47.1681 0.0158975 0.00364781 0.00556349 9
2694 278 H 32.5218 -0.808792 33.7026 -0.00241259 -0.00813238 0.0017359 9
2695 279 H 33.9274 0.176471 34.1437 -0.00254088 0.000836632 -0.0125944 9
2696 280 H 31.3299 -0.277274 35.7703 0.000487607 -0.00034975 0.011657 9
2697 281 H 32.1803 1.17821 36.011 -0.00469201 -0.00317526 0.00811232 9
2698 282 H 34.2028 -0.277791 36.472 -0.00527729 0.0126874 -0.00301311 9
2699 283 H 33.1083 -1.67163 36.3766 -0.00858511 -0.00601508 0.00619166 9
2700 284 H 31.8229 -0.876753 38.2617 -0.00312648 0.008643 0.00739435 9
2701 285 H 32.6669 0.673761 38.2932 0.0164755 0.00219029 0.00182853 9
2702 286 H 34.8349 -0.9004 38.5278 0.00302112 -0.00236743 0.00145578 9
2703 287 H 33.6748 -1.99328 39.2583 -0.00221907 0.000352147 0.00345754 9
2704 288 H 34.0633 0.919312 40.118 0.00548376 0.000942579 -4.51176e-05 9
2705 289 H 35.0444 -0.309057 40.8094 -0.00174147 -0.00405246 -0.0020955 9
2706 290 H 32.0147 -0.295944 41.0053 -0.00247955 -0.0149367 -0.00201305 9
2707 291 H 33.1022 0.437364 42.1559 0.00738741 0.00911023 -0.0128187 9
2708 292 H 34.1994 -2.08835 41.892 -0.000640719 -0.00767279 -0.013066 9
2709 293 H 32.5818 -2.49251 41.6814 -0.00608233 0.0014965 0.0065013 9
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2711 295 H 32.0036 -1.28241 43.9129 0.000598808 0.0041398 -0.01292 9
2712 296 H 33.9359 0.238751 44.2633 0.000789344 -0.00165732 -0.0165496 9
2713 297 H 35.074 -1.11507 43.9733 -0.00477003 0.0105947 -0.0162687 9
2714 298 H 35.1471 -0.958466 46.2976 0.00747538 0.00237771 -0.00983413 9
2715 299 H 34.1074 -2.29956 46.0119 -0.00780157 0.00329748 -0.00530971 9
2716 300 H 33.0465 0.476552 46.5341 -0.00412442 0.00216792 0.00313599 9
2717 301 H 33.0776 -0.72651 47.8228 0.00553887 0.0132378 -0.00175034 9
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2720 2 C 37.1714 13.5036 29.5869 -0.00122001 -0.000106487 -0.0031227 10
2721 3 C 36.586 12.4134 28.9584 0.00303936 0.00124395 0.00219694 10
2722 4 C 35.9688 11.3971 29.7679 0.000791517 -0.000842451 -0.00279322 10
2723 5 C 35.8316 11.5306 31.1633 0.00187225 -0.00136782 -0.00154088 10
2724 6 C 36.4314 12.643 31.796 0.00343572 -0.00308885 -0.00385694 10
2725 7 C 31.2531 10.3216 30.7024 0.00342945 -9.47675e-05 -0.000536892 10
2726 8 C 31.3928 10.2165 29.3038 -0.00208458 -0.00212542 -0.00120839 10
2727 9 C 32.6897 10.1234 28.784 0.00026511 -0.00284189 0.00191845 10
2728 10 C 33.7873 10.1636 29.6467 -0.0047323 -0.000382758 -0.00177329 10
2729 11 C 33.662 10.3385 31.0591 -0.00697219 0.00127803 -0.00136565 10
2730 12 C 32.356 10.4307 31.5815 0.000614989 -0.0026018 0.0012811 10
2731 13 C 36.996 6.87617 31.3527 -0.000547785 0.00552539 0.000742942 10
2732 14 C 37.1506 6.9167 29.9634 0.00167035 0.00324898 -0.00332924 10
2733 15 C 36.5929 7.9363 29.2154 -0.0020884 0.00188987 0.00125337 10
2734 16 C 35.922 8.9938 29.9035 0.0102754 0.00142755 0.00779411 10
2735 17 C 35.2578 10.1345 29.1666 0.000340262 -0.006377 0.00357355 10
2736 18 O 36.2781 7.84952 33.419 0.0011074 -0.00147866 0.00365058 10
2737 19 O 32.1263 10.5726 32.9288 0.00112234 -0.00162085 0.000284442 10
2738 20 O 36.4354 12.871 33.1351 -0.000280341 -0.00115526 -0.00145266 10
2739 21 C 36.3609 7.96494 32.0485 0.00136537 0.00110424 0.000239927 10
2740 22 C 35.4897 10.0344 27.7154 0.000853834 0.000106427 0.00501182 10
2741 23 C 35.9428 10.0988 26.5881 0.0049557 0.00174918 -0.000180119 10
2742 24 C 36.7045 10.1692 25.3863 0.000609584 -0.00510411 0.000453508 10
2743 25 C 36.4639 9.32093 24.2783 -0.00140618 0.00266103 0.00241023 10
2744 26 C 37.3166 9.35844 23.1656 0.000532912 -0.00169818 -0.000450263 10
2745 27 C 38.4565 10.2404 23.149 -0.00154314 -0.000747553 0.00119914 10
2746 28 C 38.7082 11.0476 24.2741 0.000748934 -0.0020519 0.000177694 10
2747 29 C 37.8724 10.9782 25.3904 0.00112628 0.00358857 0.00108532 10
2748 30 C 39.289 10.277 22.0079 0.000737371 -0.00129867 -0.00267205 10
2749 31 C 39.8887 10.3066 20.9428 0.00118947 -0.00142246 -0.0007998 10
2750 32 C 38.4462 7.02555 18.5557 -0.00372192 0.00118161 0.00137176 10
2751 33 C 38.6863 7.0337 17.1768 0.00417708 -0.00118483 0.00101959 10
2752 34 C 39.4184 8.08477 16.5671 0.00452679 0.00496847 0.00381317 10
2753 35 C 40.015 9.03224 17.3963 -0.000297232 0.0020907 -0.00297457 10
2754 36 C 39.7757 9.01591 18.7927 -0.00348875 0.000963543 0.002506 10
2755 37 C 38.9723 8.02826 19.3466 -0.00313253 -0.000708451 0.00191861 10
2756 38 C 40.3096 10.2641 19.5177 0.000654782 -0.0018951 0.00190822 10
2757 39 C 44.2022 10.4287 19.5724 0.00148785 -0.00397578 0.000349084 10
2758 40 C 44.4587 10.4656 18.2088 0.000594449 -0.0034328 -0.00381428 10
2759 41 C 43.3983 10.3198 17.2778 -0.00187956 -0.00528037 -0.00228225 10
2760 42 C 42.0809 10.1994 17.7845 -0.00305754 0.00051878 -0.00117813 10
2761 43 C 41.8092 10.2459 19.1772 -0.00116876 0.00342922 0.00237719 10
2762 44 C 42.8973 10.3662 20.0788 -0.000890688 -0.00395106 0.000683691 10
2763 45 C 38.8373 13.6595 18.3433 -0.00280803 0.00179445 -0.00280732 10
2764 46 C 39.2343 13.6401 17.0134 0.000925163 0.000393413 0.000138164 10
2765 47 C 39.7589 12.4465 16.4783 -0.000913108 0.00232816 0.00258599 10
2766 48 C 40.0856 11.3937 17.3302 -0.0021651 -0.00178059 -0.00018504 10
2767 49 C 40.8712 10.178 16.8987 0.00204743 -0.00211465 -0.00146837 10
2768 50 C 39.8254 11.5023 18.723 0.00122905 -0.00126591 -0.00196345 10
2769 51 C 39.1426 12.6074 19.2325 -0.00320075 0.00246715 0.0011526 10
2770 52 O 43.5646 10.3147 15.9288 -0.00169497 0.00333503 0.00154112 10
2771 53 O 39.4482 8.24241 15.1823 -0.0015963 -0.00292623 0.000358509 10
2772 54 O 40.1267 12.3271 15.1598 0.00329529 -0.00462897 -0.00492831 10
2773 55 C 35.0643 10.3392 31.8038 -0.000310781 0.00210201 -0.00134409 10
2774 56 C 35.8399 9.0708 31.3031 -0.00143589 0.00224921 -0.000559668 10
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2803 85 C 41.6953 14.0336 10.6592 -0.00287602 4.20218e-05 0.00205013 10
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2813 95 C 30.8704 10.5976 35.035 -0.00316431 -0.0048118 -0.00090186 10
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2816 98 C 29.3161 10.1067 38.5791 0.00227235 0.00164214 0.0026383 10
2817 99 C 30.2038 9.72987 39.8293 0.00356514 -0.00148745 0.0024186 10
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2819 101 C 29.2109 10.978 41.7416 0.00209133 0.00163996 0.000877957 10
2820 102 C 29.5462 11.0779 43.2472 0.00177638 5.32739e-05 0.00018286 10
2821 103 C 28.7538 10.0909 44.0723 0.00375805 -0.00143866 0.0023591 10
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2829 111 C 36.5983 14.7709 39.5468 0.00453158 0.00104882 0.00135043 10
2830 112 C 37.3266 15.6874 40.5323 -0.00117562 0.00305743 -0.00197418 10
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2832 114 C 36.7764 14.4821 42.6852 -0.00330714 -0.000899162 -0.000451379 10
2833 115 C 36.3472 14.6442 44.161 0.00409696 -0.00102719 0.000579628 10
2834 116 C 37.3684 15.4423 45.0251 0.00301223 -0.0039628 0.00106404 10
2835 117 C 37.082 15.3887 46.5148 0.00281724 0.00314016 0.00244428 10
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2838 120 C 37.5713 5.62258 36.434 0.00324254 -0.00210559 -0.00101289 10
2839 121 C 37.2795 5.56329 37.909 0.00363135 0.00237142 -0.00141591 10
2840 122 C 37.8412 6.76834 38.6809 -0.000258524 0.000963749 -0.00361695 10
2841 123 C 37.4162 6.99082 40.1448 -0.00392761 -0.00454289 0.000243368 10
2842 124 C 37.5909 5.70062 41.0118 0.000737223 0.00510111 0.000812737 10
2843 125 C 36.889 5.64216 42.3598 0.0024852 0.00241293 -0.00025262 10
2844 126 C 37.5216 6.39312 43.5563 -0.00135414 0.00227318 0.000319341 10
2845 127 C 36.7545 5.92958 44.8331 0.00144558 0.00450538 0.00120218 10
2846 128 C 36.8815 6.92969 45.9972 0.00135805 -0.000646541 0.000300239 10
2847 129 C 38.354 7.03216 46.5993 0.00164634 -0.00132045 -0.00132401 10
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2900 182 H 39.593 6.22838 11.5544 0.00719506 0.00584741 0.0032565 10
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2903 185 H 39.5862 8.15102 10.1345 0.00816194 -0.0148955 0.00377862 10
2904 186 H 38.867 6.07831 9.03068 0.00600271 0.00464832 0.00807397 10
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2907 189 H 39.1806 8.1634 7.78368 0.00271687 -0.00314146 9.2928e-05 10
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2912 194 H 38.9896 5.9267 4.41561 0.001005 0.00719224 0.0042663 10
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2920 202 H 36.1438 7.71894 0.666964 0.00799057 0.00922643 0.0030204 10
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2923 205 H 41.9133 12.3773 13.1907 0.00814068 0.00918781 0.00113442 10
2924 206 H 40.2923 12.412 12.5148 -0.00415324 -0.00141959 0.00996011 10
2925 207 H 40.4279 14.8819 12.1832 -0.0104671 -0.00765917 0.0135948 10
2926 208 H 42.1491 14.8432 12.608 0.00195787 -0.000670645 -0.00200495 10
2927 209 H 42.5742 13.3882 10.5396 -0.00609278 -0.0052247 0.00685274 10
2928 210 H 40.8812 13.4996 10.1537 0.00100756 -0.00580535 0.00196589 10
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2953 235 H 30.9969 10.8686 37.5187 -0.00701051 0.00370272 0.00300998 10
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2955 237 H 28.5495 9.34526 38.3895 0.0107917 -0.00794236 0.00658911 10
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2957 239 H 31.0183 10.4602 39.9109 0.000884732 0.00139338 0.00337871 10
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2965 247 H 28.9474 9.06168 43.7456 -0.000768257 -0.0068958 0.0168653 10
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2967 249 H 28.2173 9.59503 46.0934 0.000829978 -0.00155619 0.00471427 10
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2969 251 H 30.5154 8.62297 45.8386 -0.00238957 -0.00523988 0.012603 10
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2982 264 H 36.4754 13.7593 39.9528 -0.0115437 0.00576792 0.00824202 10
2983 265 H 38.3479 15.3082 40.6605 -0.00314454 -0.00328451 -0.00500708 10
2984 266 H 37.3813 16.6641 40.0357 0.00182178 0.00530315 0.00279857 10
2985 267 H 37.0498 16.598 42.4796 -0.00101612 0.000114597 -0.00387281 10
2986 268 H 35.5324 15.9234 41.7365 0.00206593 -2.79602e-05 0.00612581 10
2987 269 H 36.1871 13.6949 42.1991 -0.00385602 -0.00179745 0.00167077 10
2988 270 H 37.8286 14.1716 42.6887 -0.00249313 0.00180331 -0.00933808 10
2989 271 H 35.4016 15.1921 44.2563 0.00517916 0.000871172 0.000457145 10
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2991 273 H 38.342 14.9496 44.9121 -0.00202815 -0.0125107 -0.00526243 10
2992 274 H 37.3519 16.4552 44.604 -0.0155965 -0.00369794 0.00233895 10
2993 275 H 37.2939 14.3506 46.7993 0.0111521 0.00572634 0.00556693 10
2994 276 H 37.7153 16.1356 47.0093 0.0157781 0.00674483 -0.0195121 10
2995 277 H 36.0252 15.5595 46.7541 0.000806936 0.000778541 -0.00473978 10
2996 278 H 36.6349 5.7608 33.7686 -0.0120968 0.00527526 0.00122798 10
2997 279 H 38.0362 6.82584 33.8869 -0.0018295 -0.00669079 -0.0069685 10
2998 280 H 35.6686 6.53045 35.8344 0.00925695 -0.00243536 0.0193399 10
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3000 282 H 38.6447 5.84133 36.3759 0.000459301 0.0125466 0.00212254 10
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3005 287 H 38.9245 6.60145 38.6351 -0.000895494 -0.00425645 0.000191157 10
3006 288 H 36.4047 7.41479 40.1699 0.00436115 0.0163407 -0.017223 10
3007 289 H 38.1333 7.74451 40.4929 -0.00824717 0.00445274 -0.0103128 10
3008 290 H 38.672 5.55564 41.1284 0.00166282 0.00119883 -0.0124155 10
3009 291 H 37.2465 4.80212 40.485 0.00496343 0.0019482 0.00341301 10
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3022 2 C 41.0381 6.71301 29.6404 0.0041224 0.0052455 0.001724 11
3023 3 C 40.6494 5.62452 28.9686 -0.000221827 3.80941e-06 -0.00148982 11
3024 4 C 40.0132 4.57243 29.6837 0.00448729 -0.002489 0.000853436 11
3025 5 C 39.8075 4.64814 31.0997 -0.0002832 0.00011416 0.00278556 11
3026 6 C 40.2349 5.80079 31.7925 -0.000268676 -0.000107279 -0.00187909 11
3027 7 C 35.3724 3.39059 30.3437 0.00475497 -0.000986601 -0.00478772 11
3028 8 C 35.6551 3.31678 28.9925 -0.000553431 0.00173741 -0.00318954 11
3029 9 C 36.931 3.36445 28.4857 -0.000553736 0.000148624 -0.00353573 11
3030 10 C 38.0141 3.31549 29.3916 -0.000370238 -0.00402921 -0.00304374 11
3031 11 C 37.7567 3.44511 30.802 0.00693247 -0.00442823 -0.00471626 11
3032 12 C 36.4173 3.4951 31.2689 0.00881461 -4.62909e-05 -0.00313914 11
3033 13 C 40.8782 -0.069143 31.3359 -0.000106789 -0.000500267 -0.00302422 11
3034 14 C 41.1434 -0.0779704 29.9732 -0.00150151 -0.00534501 -0.00277942 11
3035 15 C 40.7712 1.00263 29.1972 0.00171722 0.00307652 -0.000300586 11
3036 16 C 40.1007 2.10743 29.8053 -0.000920295 0.00157777 0.00139094 11
3037 17 C 39.5267 3.27628 29.0141 0.00232875 0.00233152 0.00119785 11
3038 18 O 39.9407 0.946313 33.3537 0.00104921 0.00205648 -0.00259035 11
3039 19 O 36.1339 3.70148 32.6299 0.000834626 -0.00228498 -0.00112722 11
3040 20 O 40.1009 5.97763 33.1749 0.000234832 -0.000819231 -0.00214896 11
3041 21 C 40.1868 1.00313 31.9881 -0.00546033 0.00452898 -0.0051536 11
3042 22 C 39.8646 3.2359 27.5702 -1.82646e-05 -0.0030936 -0.00023939 11
3043 23 C 40.3902 3.25514 26.5085 -0.00353585 0.00122334 0.00198489 11
3044 24 C 41.1902 3.36916 25.3459 -0.0031089 0.00442157 0.000875858 11
3045 25 C 40.7471 4.13647 24.2667 -0.00237028 -0.00147186 0.000783442 11
3046 26 C 41.5379 4.30362 23.1174 -0.00203553 -0.00357205 0.00195982 11
3047 27 C 42.7928 3.66307 23.0482 0.000665811 0.00210076 -0.00277221 11
3048 28 C 43.2439 2.89643 24.1218 0.00133131 -0.00244551 -0.000768665 11
3049 29 C 42.4344 2.78264 25.2694 -0.00273683 -0.00139012 0.00231396 11
3050 30 C 43.6007 3.74135 21.8717 -0.00364116 0.00078167 -0.000954196 11
3051 31 C 44.0485 3.72431 20.7468 6.76965e-06 -0.000722634 -0.000962108 11
3052 32 C 42.8011 0.0886935 18.8549 -5.13974e-05 0.00137541 0.00402255 11
3053 33 C 43.1377 -0.0932272 17.5079 0.00371966 -0.00343401 0.00137565 11
3054 34 C 43.6577 0.947446 16.734 0.00336001 -0.000879586 -0.00187533 11
3055 35 C 43.9348 2.17507 17.351 -3.02425e-05 0.00044048 -0.000610431 11
3056 36 C 43.7173 2.3312 18.7293 -0.00323699 0.000975078 -0.00142759 11
3057 37 C 43.0981 1.30308 19.4867 0.000810022 -0.000864925 0.00304735 11
3058 38 C 44.3479 3.59951 19.3114 -0.00291727 0.00354674 -7.20398e-05 11
3059 39 C 48.2138 3.79762 19.0819 -0.000320048 2.59793e-05 0.0057392 11
3060 40 C 48.3326 3.7964 17.6777 -0.0045561 0.00264899 0.00196424 11
3061 41 C 47.1962 3.61656 16.8373 0.000449263 -0.000426201 0.00129065 11
3062 42 C 45.9737 3.48021 17.4398 -0.00199974 -0.00023242 0.00110295 11
3063 43 C 45.845 3.59411 18.8621 -1.19781e-05 0.00247138 0.00132899 11
3064 44 C 46.9516 3.71031 19.6956 -0.00148518 0.00425443 0.00063246 11
3065 45 C 42.5699 6.83555 18.0141 0.00259823 -0.00213765 -0.00109258 11
3066 46 C 42.8641 6.72711 16.6629 0.00386036 0.000394016 0.00188123 11
3067 47 C 43.4955 5.57296 16.1474 0.000666702 -0.00114066 0.000725795 11
3068 48 C 43.9095 4.60727 17.0703 0.00165765 0.00766738 -0.00133275 11
3069 49 C 44.6535 3.34224 16.6581 0.00246229 -0.00234952 -0.0024481 11
3070 50 C 43.7517 4.78577 18.4816 0.00114945 -0.000196662 -0.00179393 11
3071 51 C 43.0211 5.89234 18.9505 -0.000125165 -0.00172903 -0.0032996 11
3072 52 O 47.3072 3.78945 15.4667 -0.000929618 -0.00248229 -0.00302302 11
3073 53 O 44.0231 0.709723 15.4124 0.00113456 -0.00052027 -0.00182218 11
3074 54 O 43.7751 5.44646 14.8073 -0.00122298 0.00148123 -0.00460626 11
3075 55 C 39.0371 3.42324 31.6536 -0.00401348 0.00285739 0.00325559 11
3076 56 C 39.813 2.13974 31.2 -0.000413283 -0.00245063 -0.000758845 11
3077 57 C 47.1882 2.6612 14.5676 -0.00114333 -0.00173028 0.00285613 11
3078 58 C 46.3458 3.04841 13.3029 -0.00500903 -0.00273746 -0.00328213 11
3079 59 C 47.0141 2.62609 11.9791 -0.0024875 -0.0045115 -0.000563834 11
3080 60 C 46.3112 3.14844 10.7512 0.000519062 9.87387e-06 0.00121483 11
3081 61 C 47.0196 2.71785 9.47841 -0.00180897 5.00583e-05 4.36437e-05 11
3082 62 C 46.4228 3.37577 8.22866 -0.00190512 -0.00621081 0.00294035 11
3083 63 C 47.1385 2.8159 6.99139 0.00222281 -0.00036721 0.000781816 11
3084 64 C 46.91 3.58601 5.65411 -0.00255509 0.000587953 0.00263093 11
3085 65 C 45.5983 3.28007 4.87287 -0.00463468 0.000848477 -0.00254517 11
3086 66 C 45.8342 2.80024 3.44755 0.000231391 -0.00120325 -0.00647424 11
3087 67 C 46.251 3.87092 2.42008 -0.000215167 0.00296106 -0.00142854 11
3088 68 C 46.2867 3.37769 0.990808 0.00557758 -0.00171103 -0.00752159 11
3089 69 F 41.0319 5.01933 22.1097 0.00445013 0.0014269 -0.00190967 11
3090 70 C 44.2193 -0.667751 14.963 0.00189182 -0.00249495 -0.00506826 11
3091 71 C 44.9852 -0.635536 13.6102 -0.000267402 0.000662599 -0.00252834 11
3092 72 C 45.3665 -2.0714 13.1925 -0.00333417 -0.00266706 -0.000250395 11
3093 73 C 46.0318 -2.2657 11.8359 -0.000317347 0.000243 0.0012477 11
3094 74 C 45.5908 -1.32737 10.7245 -0.00121079 0.000757711 0.00331539 11
3095 75 C 46.1249 -1.79927 9.34732 0.00191757 0.00207432 0.0019807 11
3096 76 C 45.464 -1.04973 8.16666 0.00183545 0.00324347 -0.00141522 11
3097 77 C 45.959 -1.47569 6.76731 0.00170003 -0.000751277 0.00330897 11
3098 78 C 45.1424 -0.760555 5.65519 0.000448999 -0.00310751 0.000993733 11
3099 79 C 45.7466 -0.684233 4.24701 -0.000187328 0.000755528 0.00487609 11
3100 80 C 46.0218 -1.9829 3.50291 -0.00476236 0.00127901 0.00155123 11
3101 81 C 46.1209 -1.6854 1.99137 -0.00300751 0.00378422 0.00150006 11
3102 82 C 42.7535 5.06867 13.9164 0.0031203 -0.00215479 0.00177904 11
3103 83 C 43.3825 5.07225 12.5207 -0.00281325 -0.000623169 0.00351965 11
3104 84 C 42.4442 5.16295 11.3312 -0.00223979 -0.000220397 -0.000708165 11
3105 85 C 43.2826 5.37498 10.0446 -0.00385478 -0.00205287 0.00304877 11
3106 86 C 42.4649 5.10945 8.75391 0.00191978 0.00189611 -0.000541868 11
3107 87 C 41.8491 6.41963 8.2334 0.000581822 -0.00183321 0.00252759 11
3108 88 C 41.355 6.25412 6.78331 0.00222677 0.000888442 0.00276329 11
3109 89 C 42.4802 6.24283 5.71951 -0.00325959 -0.000529287 0.000609791 11
3110 90 C 41.9243 6.06221 4.32123 -0.0019706 0.00150557 0.00568827 11
3111 91 C 43.0823 6.19076 3.28143 5.54011e-05 0.00306289 0.00225726 11
3112 92 C 42.6081 6.29622 1.80475 0.000169205 0.00100024 0.00517237 11
3113 93 C 42.2134 4.92855 1.2529 0.0015851 -0.00376135 -0.00265808 11
3114 94 C 34.7483 3.73437 33.108 0.000773193 -0.00896209 -0.000779195 11
3115 95 C 34.5649 4.23197 34.5481 -0.00314398 -0.000306439 -0.00257808 11
3116 96 C 33.4148 3.41087 35.1841 0.00314459 -0.00171381 -0.00167669 11
3117 97 C 32.8662 3.90091 36.5357 -0.00133875 -0.000272248 0.000292933 11
3118 98 C 33.7975 3.60782 37.7459 0.000107405 -0.00141227 -0.00599474 11
3119 99 C 33.1505 4.08406 39.0527 0.00278876 -0.00141347 -0.000909451 11
3120 100 C 34.0821 3.93115 40.2878 0.00204454 0.00103177 0.00464997 11
3121 101 C 33.2007 4.13599 41.5596 -0.00034687 0.00414224 0.00256553 11
3122 102 C 33.8287 3.54903 42.8288 0.00539148 -0.00532517 -0.000317716 11
3123 103 C 33.1708 4.07051 44.0824 0.00365935 0.00151289 0.000955234 11
3124 104 C 33.7926 3.4542 45.3506 0.00272897 0.00157919 -0.00573825 11
3125 105 C 33.1754 4.04482 46.5977 -0.00103993 0.000914844 -0.00104261 11
3126 106 C 40.679 7.19534 33.7702 -0.000321341 -0.0011444 -0.00417376 11
3127 107 C 40.5732 7.37724 35.3319 0.00156719 0.00611511 -0.00278342 11
3128 108 C 41.316 8.63894 35.7943 0.00028468 0.0021513 0.00741155 11
3129 109 C 41.2604 8.86306 37.3485 -0.000224213 -0.00371322 0.00414056 11
3130 110 C 42.1787 7.88153 38.1022 0.000901051 0.00444091 -0.00187625 11
3131 111 C 42.3271 8.23393 39.6151 0.00359461 0.000386295 -0.000608361 11
3132 112 C 41.0111 8.08164 40.3247 -0.00242405 -0.00272183 0.00092 11
3133 113 C 41.0476 7.977 41.8562 -0.00426579 0.000213624 -0.00104177 11
3134 114 C 41.8171 9.12925 42.5012 0.00499431 0.000659241 -0.00117714 11
3135 115 C 41.6924 9.21069 44.0573 0.000661686 7.93693e-05 -0.00267472 11
3136 116 C 42.093 7.98914 44.8755 -0.000341594 0.00314793 0.00305763 11
3137 117 C 41.8086 8.19773 46.38 -0.00302556 0.00383289 0.00205077 11
3138 118 C 40.177 -0.25688 34.1234 -0.00294916 -0.00205819 -0.000286574 11
3139 119 C 40.3913 0.199622 35.5995 -4.49043e-05 0.00265424 -0.00238157 11
3140 120 C 40.8003 -0.891711 36.6067 0.000422809 0.00420446 -0.00514478 11
3141 121 C 40.953 -0.225136 38.0038 -0.00241461 0.00126791 0.000192385 11
3142 122 C 41.3408 -1.17143 39.1397 0.00282744 0.00195583 0.0024746 11
3143 123 C 41.6172 -0.344603 40.4304 0.0011355 0.00131398 -0.00273931 11
3144 124 C 41.9401 -1.11968 41.7522 -0.00102163 -0.00171055 0.00325012 11
3145 125 C 41.5089 -0.347538 43.0144 -0.00109507 -0.00196466 -0.00251621 11
3146 126 C 41.8843 -1.05076 44.3414 0.000432057 -0.00206434 -0.000765866 11
3147 127 C 41.1187 -0.440807 45.5263 -0.00224625 -0.00223333 -0.00521376 11
3148 128 C 41.4038 -1.13671 46.8639 -0.000939193 -0.000278909 -8.94756e-05 11
3149 129 C 40.8891 -0.292125 48.0901 0.00300596 -0.0050811 -0.000790227 11
3150 130 F 39.5457 4.7324 24.3922 0.00192284 0.00140041 0.00107226 11
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3152 132 H 41.5499 7.49566 29.0882 0.00879136 0.00456481 0.00507545 11
3153 133 H 40.7836 5.58407 27.8916 -0.00518018 -0.00655395 -0.00187574 11
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3224 204 H 41.9372 5.80031 13.9582 -0.000522346 -0.00628346 0.00298525 11
3225 205 H 43.9783 5.99252 12.4812 -0.0020129 -0.000495072 0.0183877 11
3226 206 H 44.0346 4.19467 12.4313 0.00413977 0.0050396 -0.00126812 11
3227 207 H 41.9403 4.18935 11.2912 0.00125395 -0.00215258 0.00215035 11
3228 208 H 41.6717 5.93386 11.4428 0.00976837 0.0133259 -0.0113669 11
3229 209 H 43.6665 6.40167 10.0886 -0.014558 0.00145052 0.0154238 11
3230 210 H 44.1282 4.67661 10.0714 -0.00487464 -0.00378414 -0.0102188 11
3231 211 H 43.1634 4.76892 7.97964 -0.00339516 -0.00708226 -0.00135243 11
3232 212 H 41.66 4.38783 8.94083 0.00204885 0.00147791 -0.00160518 11
3233 213 H 41.0357 6.73243 8.89964 0.00369193 0.00111817 0.00493808 11
3234 214 H 42.5861 7.23076 8.18423 0.000917045 -0.00302132 -0.0126807 11
3235 215 H 40.7457 5.34804 6.67773 -0.000234042 0.00331025 -0.00384887 11
3236 216 H 40.7184 7.12038 6.56501 -0.00503857 -0.00587203 -0.00285036 11
3237 217 H 43.0547 7.17591 5.77226 -0.00450497 -2.92774e-05 0.00531786 11
3238 218 H 43.1459 5.40314 5.95434 -0.00740622 -0.00194518 0.00737472 11
3239 219 H 41.3283 5.14484 4.23969 -0.00228606 0.00252987 -0.00349653 11
3240 220 H 41.2321 6.89618 4.15142 0.00463991 0.00366592 -0.0106685 11
3241 221 H 43.6924 7.06059 3.5546 0.0172338 -0.00524029 -0.00970213 11
3242 222 H 43.7206 5.30571 3.39401 -0.00167164 7.03156e-05 -0.0114768 11
3243 223 H 41.7673 7.00077 1.81124 -0.001001 -0.000345427 -0.00256902 11
3244 224 H 43.3605 6.74214 1.14251 0.0122354 -0.0123323 0.00993265 11
3245 225 H 41.7324 5.04019 0.273345 -0.00316668 0.00743656 0.00093968 11
3246 226 H 43.092 4.27544 1.18215 -0.0158285 -0.0273372 -0.00107543 11
3247 227 H 41.445 4.47467 1.89086 0.00469554 0.0079346 0.00939739 11
3248 228 H 34.1248 4.39865 32.497 0.0212704 0.0181955 0.0078224 11
3249 229 H 34.3868 2.70613 32.9839 0.00870667 -0.0123994 0.00449955 11
3250 230 H 35.5057 4.17561 35.1094 -0.00328889 0.00768023 -0.00153757 11
3251 231 H 34.3048 5.29425 34.4626 -0.000827367 4.13561e-05 -0.0053193 11
3252 232 H 32.5445 3.44535 34.5172 0.00673665 0.0046771 -0.00603319 11
3253 233 H 33.7883 2.3821 35.2586 -0.00618898 -0.00499267 -0.00028025 11
3254 234 H 32.7066 4.98618 36.5246 -0.00998962 -0.00155575 0.000406632 11
3255 235 H 31.8727 3.47458 36.7221 -0.00688898 0.00218652 -0.0237111 11
3256 236 H 34.0101 2.538 37.8629 -0.00946754 -0.00215767 0.00464106 11
3257 237 H 34.7157 4.16142 37.5139 -0.000712992 -0.00137583 -0.00918564 11
3258 238 H 32.8211 5.12326 38.9304 0.00130238 0.000339664 0.0180889 11
3259 239 H 32.2567 3.46481 39.198 -0.00190623 0.00469966 -0.00377303 11
3260 240 H 34.5693 2.94891 40.323 -0.00243088 -0.000803348 0.0156337 11
3261 241 H 34.8661 4.69756 40.2527 -0.00385884 0.00619945 -0.0145231 11
3262 242 H 32.987 5.20316 41.6971 -0.00621756 0.00279452 0.00389992 11
3263 243 H 32.2265 3.64597 41.4409 -0.00566466 0.0111298 0.0173496 11
3264 244 H 33.8135 2.45243 42.8032 0.0151305 -0.00544973 -0.000937422 11
3265 245 H 34.8724 3.87058 42.9323 0.00615138 -0.00609253 -0.00569834 11
3266 246 H 33.3158 5.15776 44.0657 0.00241473 0.00155883 -0.0075179 11
3267 247 H 32.086 3.91015 44.0527 0.00427208 -0.00279297 0.00196877 11
3268 248 H 33.5936 2.3755 45.3645 -0.0043538 0.00297564 0.00241272 11
3269 249 H 34.8623 3.69694 45.3378 0.00311834 -0.000140656 -0.00550345 11
3270 250 H 33.7079 3.65742 47.475 -0.00176411 -0.00553802 -0.00345266 11
3271 251 H 33.2799 5.13484 46.5318 -0.00714127 0.00114888 -0.00704008 11
3272 252 H 32.1014 3.82195 46.6124 -0.00120858 0.00282724 0.0136747 11
3273 253 H 41.7319 7.22037 33.4633 -0.000995864 -0.0108471 -0.00730761 11
3274 254 H 40.2002 8.06698 33.3072 -0.0008281 0.00496919 0.00786274 11
3275 255 H 39.5192 7.44893 35.6276 0.00454156 -0.013928 0.0128038 11
3276 256 H 41.0061 6.47653 35.7844 -0.00272006 0.000598898 -0.00961927 11
3277 257 H 42.3495 8.6097 35.4276 -0.00497167 0.0119829 -0.00815335 11
3278 258 H 40.8352 9.51207 35.3362 0.00395375 0.000941937 0.00127389 11
3279 259 H 41.547 9.91032 37.505 -0.000674475 -0.00227036 -0.00456018 11
3280 260 H 40.2253 8.78732 37.7039 0.00183119 -0.00201996 0.0104745 11
3281 261 H 41.8051 6.85761 37.9782 -0.000289325 0.00532448 -0.00558628 11
3282 262 H 43.1838 7.93864 37.6664 0.00161904 -0.010813 -0.00220573 11
3283 263 H 43.1042 7.58202 40.0328 -0.00181108 -0.00573379 -0.000117019 11
3284 264 H 42.6771 9.27187 39.6747 0.0030078 0.000635052 -0.00146949 11
3285 265 H 40.383 8.93235 40.0328 0.00133256 -0.00247415 -0.00644803 11
3286 266 H 40.4466 7.19642 40.0067 -0.00676863 0.0042171 -0.0106562 11
3287 267 H 40.0418 7.85478 42.2766 -0.000121053 -0.018269 0.00357702 11
3288 268 H 41.5652 7.03241 42.0642 0.00938779 0.00605922 -0.00845665 11
3289 269 H 42.8559 9.1082 42.1492 0.00749936 0.0116208 0.00556713 11
3290 270 H 41.4383 10.0447 42.0302 0.0192495 0.00581002 -0.00265107 11
3291 271 H 42.1721 10.1258 44.4258 0.00707035 -0.00468683 0.000773329 11
3292 272 H 40.6287 9.36741 44.2749 0.00231536 0.00128885 0.00454646 11
3293 273 H 41.6044 7.08221 44.4986 -0.00399509 0.011183 -0.0115431 11
3294 274 H 43.1706 7.85425 44.7204 0.000831361 0.0242262 -0.00723898 11
3295 275 H 40.7856 8.54314 46.5738 -0.0106771 -0.0209434 0.0057698 11
3296 276 H 41.9516 7.23493 46.886 -0.00160694 0.00142359 -0.00292293 11
3297 277 H 42.48 8.91834 46.8632 -0.00531104 0.00282245 0.00674947 11
3298 278 H 39.3055 -0.917968 34.0405 0.000171818 -0.00706465 0.00669389 11
3299 279 H 41.056 -0.825139 33.7949 -0.000788128 0.00322903 -0.00366046 11
3300 280 H 39.4475 0.573879 36.015 -0.000935649 0.00125301 -0.00314114 11
3301 281 H 41.1324 1.00155 35.7048 0.00670535 -0.00159266 -0.0178454 11
3302 282 H 41.7627 -1.3043 36.2797 0.00187223 -0.0035215 0.00890485 11
3303 283 H 40.1036 -1.73674 36.6702 0.00806489 -0.0028996 -0.0156848 11
3304 284 H 39.9916 0.25175 38.2309 -0.00308634 0.000673881 -0.00139126 11
3305 285 H 41.6719 0.602838 37.971 -0.00528509 0.00364529 -0.0027201 11
3306 286 H 42.2238 -1.76433 38.8711 -0.00838581 -0.0141773 0.00117999 11
3307 287 H 40.5339 -1.90125 39.2802 -0.00833169 0.0138551 0.000147923 11
3308 288 H 40.7357 0.273198 40.6418 -0.00273686 -0.00628893 0.00332664 11
3309 289 H 42.4046 0.367123 40.1532 -0.0156768 0.0113847 -0.0248489 11
3310 290 H 43.0142 -1.33234 41.8186 0.000228291 0.00454003 0.00306414 11
3311 291 H 41.4123 -2.08091 41.7824 0.00813863 -0.00701394 -0.00594523 11
3312 292 H 40.4301 -0.148926 43.0025 -0.000882606 1.77014e-05 0.0103575 11
3313 293 H 42.0097 0.627863 42.9803 -0.00282127 -0.00118385 -0.00559369 11
3314 294 H 42.9648 -0.995754 44.523 0.0018387 0.0130109 -0.0137611 11
3315 295 H 41.6579 -2.12376 44.3133 0.00302881 -0.002395 -0.00867331 11
3316 296 H 40.0459 -0.473997 45.2998 -0.00473097 0.00500118 0.0055017 11
3317 297 H 41.3289 0.633793 45.5933 -0.0109994 -0.00188341 0.0165955 11
3318 298 H 42.4901 -1.25306 46.9631 -0.0022503 -0.00527806 0.00839412 11
3319 299 H 40.9669 -2.14274 46.8432 -0.00446706 0.00135373 -0.00512792 11
3320 300 H 41.2365 -0.703604 49.0459 0.00723933 -0.000770015 -0.000471949 11
3321 301 H 39.7983 -0.397327 48.0389 0.00304503 -0.00843983 0.0053666 11
3322 302 H 41.1917 0.76178 48.0565 0.00967924 -0.00657662 0.0120396 11
3323 1 C 44.8436 13.5508 31.1259 0.000688852 0.00252522 -0.000966188 12
3324 2 C 45.1157 13.4498 29.77 0.00412201 0.00500921 -0.00192039 12
3325 3 C 44.5472 12.3699 29.0789 0.00247586 6.47738e-05 0.00276287 12
3326 4 C 43.8346 11.3545 29.7862 -0.00215748 0.00165102 0.000174879 12
3327 5 C 43.7111 11.4362 31.1773 0.000908433 -0.0017462 0.00414961 12
3328 6 C 44.1617 12.579 31.8663 0.00165702 0.00373782 0.000720953 12
3329 7 C 39.2422 10.3077 30.867 -0.000742462 -0.000162582 -0.000130493 12
3330 8 C 39.3134 10.1988 29.4517 -0.00176238 0.00223551 -0.00371995 12
3331 9 C 40.5651 10.1722 28.8274 0.000101477 0.000787499 0.00520121 12
3332 10 C 41.7167 10.1929 29.6371 -0.00312206 0.00162697 0.00076812 12
3333 11 C 41.605 10.2303 31.0579 -0.000144855 -0.00308505 -0.00145457 12
3334 12 C 40.3628 10.3135 31.6817 -0.000674134 -0.00234281 7.27306e-05 12
3335 13 C 44.8491 6.81628 31.2814 0.000533431 0.000805021 -0.000448091 12
3336 14 C 44.9546 6.84059 29.8828 0.00452275 0.000892579 -0.000490657 12
3337 15 C 44.4106 7.87219 29.1618 0.00141816 0.00011879 0.000911746 12
3338 16 C 43.793 8.93489 29.8236 -0.00539904 0.00175408 -0.000676272 12
3339 17 C 43.1703 10.1478 29.1519 0.000446015 0.00424842 0.00109858 12
3340 18 O 44.1397 7.71897 33.4021 -0.00404987 -0.00326297 -0.000435297 12
3341 19 O 40.198 10.4744 33.0544 0.00089206 0.00113033 0.00124614 12
3342 20 O 44.0386 12.7965 33.2187 6.52703e-05 -0.000383388 0.00289945 12
3343 21 C 44.2325 7.86232 32.0003 0.0047028 0.00147602 -0.00202294 12
3344 22 C 43.3596 10.1782 27.6997 0.00148904 0.00143955 -0.00015892 12
3345 23 C 43.8022 10.2497 26.5861 -0.00162332 -0.00238628 0.00246829 12
3346 24 C 44.6076 10.3288 25.4265 -0.00106309 0.000642778 -0.000906031 12
3347 25 C 44.9304 11.5888 24.8269 0.00226964 0.000920136 0.00438658 12
3348 26 C 45.9034 11.689 23.8021 0.00104284 0.00294696 0.00149924 12
3349 27 C 46.5148 10.4927 23.3516 0.00459799 0.000472018 0.00153552 12
3350 28 C 46.172 9.25584 23.9362 0.00680416 -0.00371131 0.00130092 12
3351 29 C 45.2564 9.1591 24.9901 -0.00190912 -0.000700398 8.96585e-05 12
3352 30 C 47.407 10.4951 22.2095 -0.00534226 0.0037171 -0.00292614 12
3353 31 C 47.9063 10.4761 21.1053 -0.000987663 0.00284768 -0.000985575 12
3354 32 C 46.4332 7.04741 18.8578 0.00227821 -0.00422285 0.00398424 12
3355 33 C 46.6366 7.00603 17.4856 -0.00227405 -0.00127575 -0.000162395 12
3356 34 C 47.3148 8.05463 16.8245 0.000448666 -0.001864 0.00342885 12
3357 35 C 47.7315 9.16779 17.5742 -0.00526399 0.000403921 0.00158036 12
3358 36 C 47.54 9.18617 18.979 0.000243517 0.000971583 0.000511962 12
3359 37 C 46.8931 8.12034 19.6065 0.000386706 0.00124812 -0.00267767 12
3360 38 C 48.1729 10.387 19.6548 -0.00162361 0.00235444 -0.000272287 12
3361 39 C 52.0237 10.3644 19.5132 0.00381242 -0.00362064 -0.00126575 12
3362 40 C 52.1844 10.3799 18.1142 -0.000321918 0.00139238 -6.38316e-05 12
3363 41 C 51.0616 10.3706 17.2422 -0.000841514 -0.00322991 -9.71721e-05 12
3364 42 C 49.8175 10.3531 17.7939 0.00149739 -0.00171076 -0.000786357 12
3365 43 C 49.6485 10.3914 19.202 0.00113123 0.00419515 -0.000450467 12
3366 44 C 50.7518 10.3376 20.054 -0.00301533 0.00342295 -0.000956017 12
3367 45 C 46.4126 13.7219 18.5522 0.00240628 -0.000936536 -0.00405531 12
3368 46 C 46.6619 13.6758 17.191 0.00401949 0.00169582 -0.000128375 12
3369 47 C 47.3857 12.6128 16.6272 -0.00605894 -0.00392852 -0.00646826 12
3370 48 C 47.7783 11.5933 17.4814 0.00142422 -0.000747038 -0.00148047 12
3371 49 C 48.5104 10.3637 16.9799 -0.0018606 -0.00403256 0.00152843 12
3372 50 C 47.593 11.6332 18.8773 -0.000604503 0.0018488 0.000955847 12
3373 51 C 46.9063 12.7275 19.4367 0.0022684 0.0026809 -0.000240402 12
3374 52 O 51.2275 10.4775 15.8951 -0.0044765 -0.00191161 0.00151817 12
3375 53 O 47.6242 7.97312 15.5057 -0.000363291 -0.00461505 -0.000552845 12
3376 54 O 47.5046 12.6054 15.2451 0.00157141 0.000825895 0.00105766 12
3377 55 C 42.9728 10.243 31.8136 0.00720847 0.000910934 0.000679825 12
3378 56 C 43.7282 8.98511 31.2585 0.00100258 -0.00134347 -0.000564934 12
3379 57 C 52.3034 9.94938 15.1928 0.000566807 -0.00094515 -0.00149343 12
3380 58 C 51.7782 9.56197 13.7827 -0.00207898 0.000340615 -0.00132346 12
3381 59 C 50.4038 10.0739 13.3453 0.00201841 0.00326781 0.00132021 12
3382 60 C 49.9638 9.46705 12.0074 0.000797093 -8.28211e-05 0.000561111 12
3383 61 C 50.5752 10.1771 10.7926 0.00215712 0.00132434 0.0044145 12
3384 62 C 49.8592 9.72585 9.51549 0.00282349 -0.00181108 -0.00092779 12
3385 63 C 50.5409 10.0686 8.2285 -0.00218954 0.000706581 0.000541896 12
3386 64 C 49.838 9.51662 6.98665 -0.00181904 0.000832501 0.00126986 12
3387 65 C 50.6341 9.73529 5.73549 0.0014745 -0.00193582 0.00383297 12
3388 66 C 49.7689 9.46088 4.45752 -0.000942889 -0.00135329 0.00557809 12
3389 67 C 50.5545 9.54611 3.14798 -0.000865379 -0.00245505 0.00194066 12
3390 68 C 49.7217 9.43966 1.88432 0.00131304 -0.00172923 0.00224941 12
3391 69 F 46.2152 12.8601 23.225 -0.00158029 -0.00272594 0.000583942 12
3392 70 C 46.9846 7.11281 14.5688 -0.00300043 0.00040657 -0.000794637 12
3393 71 C 47.4873 7.62299 13.2053 0.00142674 0.00175204 -0.0010464 12
3394 72 C 46.984 6.88167 11.9562 -0.00187536 0.00307068 -0.00403402 12
3395 73 C 47.3243 7.50573 10.6138 -0.000508059 -0.00145143 -0.000537773 12
3396 74 C 46.3167 7.17644 9.47982 -0.00112678 -0.00254347 0.00103748 12
3397 75 C 46.806 7.5401 8.04704 0.0029129 0.000708945 0.00303719 12
3398 76 C 45.6667 7.33183 7.01975 -0.00337034 -0.00221071 6.85635e-05 12
3399 77 C 46.0494 7.32753 5.56483 0.000269602 -0.00249741 0.00147153 12
3400 78 C 46.1672 8.76047 4.95618 7.95145e-05 -0.00155633 -0.00179258 12
3401 79 C 46.0872 8.8566 3.3885 0.000221121 -0.00621918 -0.00209468 12
3402 80 C 46.7678 7.67656 2.65076 0.00368128 -0.00444986 -0.00183684 12
3403 81 C 46.6206 7.7351 1.11856 -0.00577229 0.00147737 0.000255987 12
3404 82 C 48.6987 13.0663 14.5854 -0.00338648 -0.00335425 -0.000252107 12
3405 83 C 48.381 13.206 13.072 -0.00696617 0.000374996 0.000186738 12
3406 84 C 49.5279 13.6421 12.165 0.000223102 -0.000830877 0.00555499 12
3407 85 C 49.1602 13.6599 10.629 -0.00163678 -0.00132943 0.00204291 12
3408 86 C 50.3672 13.9354 9.7424 -0.00183947 0.00526326 -0.00245739 12
3409 87 C 50.0395 14.5632 8.34743 -0.000680944 -0.000275143 -0.000345613 12
3410 88 C 50.0217 13.6151 7.14368 0.000936352 -0.00318978 -0.000858786 12
3411 89 C 49.9826 14.3417 5.80445 0.00154887 -0.000916525 0.000422143 12
3412 90 C 50.1934 13.4016 4.63041 0.00136008 -0.00140742 -0.000503282 12
3413 91 C 50.1063 14.1036 3.27936 -0.00398621 0.000333751 0.00368743 12
3414 92 C 50.3465 13.1813 2.09517 -0.00528421 -0.00217293 -0.003572 12
3415 93 C 50.2235 13.9611 0.768199 0.00048442 -0.00187314 0.00160654 12
3416 94 C 39.0883 11.1477 33.6642 0.00126227 0.0079106 -0.000952524 12
3417 95 C 38.0756 10.1355 34.1845 0.000642692 0.000907603 0.00488489 12
3418 96 C 37.2991 10.5567 35.4451 0.00415075 0.000364242 6.01594e-05 12
3419 97 C 38.1637 10.4018 36.7411 -2.08673e-05 0.00366183 0.000501545 12
3420 98 C 37.5574 11.1314 37.9504 0.000165552 -0.00621838 -0.00209956 12
3421 99 C 37.6015 10.257 39.2104 -0.00197005 0.00338364 0.00073785 12
3422 100 C 37.2773 11.099 40.4334 0.00267466 -0.00267507 -0.00227166 12
3423 101 C 37.3852 10.1989 41.6948 -0.000226039 0.00576111 -0.00149568 12
3424 102 C 37.0961 11.0269 42.9615 -0.00265506 0.00448509 -0.00218278 12
3425 103 C 37.4371 10.2678 44.1994 0.00020382 -0.00109641 -0.00141714 12
3426 104 C 37.3246 11.1429 45.4741 0.00431069 -0.00163082 -0.000941259 12
3427 105 C 37.7338 10.425 46.7653 -0.0016647 0.000826801 -0.000282264 12
3428 106 C 44.986 13.6277 33.9478 -0.00255517 -0.00169 -0.000597219 12
3429 107 C 44.6039 13.8904 35.4769 0.00653545 -0.00342628 0.000384566 12
3430 108 C 45.6234 14.7739 36.1533 -0.00215283 -0.00018296 0.00248662 12
3431 109 C 46.038 14.4145 37.6031 -0.00277214 0.00548859 0.00182883 12
3432 110 C 45.1313 15.0306 38.6589 -0.00030365 -0.000979212 -0.000148693 12
3433 111 C 45.6554 14.7482 40.1024 0.00486627 0.000531158 0.00122475 12
3434 112 C 44.6701 15.2957 41.1323 0.000511456 -0.000323987 -0.00404631 12
3435 113 C 45.2683 15.4168 42.521 -0.00108955 -0.00302848 0.00030932 12
3436 114 C 45.3108 14.0194 43.1889 -0.00251563 0.00109112 0.00559749 12
3437 115 C 44.7788 13.9307 44.6449 -0.00213379 0.000255123 -0.00254354 12
3438 116 C 45.6862 14.4419 45.78 0.00127103 0.00145537 -0.00240216 12
3439 117 C 45.8166 15.9882 45.7575 -0.0019614 0.00161345 -0.000254582 12
3440 118 C 45.0524 6.85392 34.1603 0.00150347 0.00211818 -0.000172725 12
3441 119 C 44.6399 6.73336 35.6544 -0.0053596 0.00215275 -0.00294908 12
3442 120 C 45.057 5.4384 36.3689 0.00508351 -0.00185267 0.000355062 12
3443 121 C 44.978 5.66456 37.8922 0.00230071 0.000966346 0.00359267 12
3444 122 C 45.5456 4.53923 38.8108 0.00135426 0.00416127 -0.00151306 12
3445 123 C 46.4529 5.0627 39.9429 -0.00144387 -0.000835282 -0.00154122 12
3446 124 C 45.7717 6.0501 40.9336 -0.00246351 0.00327448 0.00029809 12
3447 125 C 44.7506 5.31278 41.826 -0.00548135 -0.00013327 0.000401484 12
3448 126 C 44.447 6.12184 43.0886 0.000161197 0.000856204 -0.00323017 12
3449 127 C 45.5564 6.15311 44.1607 -0.00209208 -0.00347921 0.00161829 12
3450 128 C 45.3469 5.16229 45.322 0.00281465 -0.00174103 0.000707354 12
3451 129 C 44.3285 5.67942 46.343 -0.00134012 -0.000143795 -0.00101021 12
3452 130 F 44.3561 12.7151 25.2642 0.00312169 0.00473145 -0.00179995 12
3453 131 H 45.1138 14.5002 31.5787 0.00727032 0.00147462 -0.00270985 12
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3502 180 H 47.2838 8.69502 13.0924 0.000613257 0.00234854 0.00614362 12
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3518 196 H 45.0275 8.90509 3.10914 -0.00118875 -0.00604481 0.00326149 12
3519 197 H 46.5753 9.78861 3.07772 0.00506647 -0.0137931 -0.0171797 12
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3521 199 H 46.2963 6.74557 2.9889 -0.000121202 0.000861953 0.00751034 12
3522 200 H 47.0027 6.81832 0.652776 -0.0047994 0.00130509 0.00139416 12
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3526 204 H 49.4344 12.294 14.842 -0.00538235 -0.00149242 0.0111904 12
3527 205 H 47.9577 12.2914 12.6388 -0.0115928 0.0073014 -0.00997996 12
3528 206 H 47.607 13.9817 13.019 -0.0101527 -0.00295264 -0.00194597 12
3529 207 H 49.9275 14.6177 12.4681 0.00162751 -0.00221561 0.00815991 12
3530 208 H 50.4036 12.9833 12.2143 0.00415501 0.00514826 0.0154797 12
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3532 210 H 48.4226 14.4683 10.5534 0.000635423 0.00124846 0.0072532 12
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3534 212 H 51.0372 13.0685 9.68672 -0.00910357 0.00056846 -0.0163039 12
3535 213 H 49.0851 15.1036 8.36355 -0.00121135 -0.001275 0.00163975 12
3536 214 H 50.7884 15.3341 8.12763 -0.00697485 0.00639565 0.00159364 12
3537 215 H 50.9323 13.0048 7.1851 -0.00209615 -0.00762328 0.000479667 12
3538 216 H 49.135 12.9753 7.23161 -0.00553632 0.00569097 -0.00135162 12
3539 217 H 49.0018 14.8256 5.71904 0.00215187 -0.00153791 -0.0100005 12
3540 218 H 50.7442 15.1214 5.68027 0.00392202 -0.0051402 -0.0118372 12
3541 219 H 51.1887 12.9564 4.75161 -0.00382646 -0.0129521 -0.000322491 12
3542 220 H 49.4683 12.5785 4.61756 0.00288324 -0.00286653 0.0078599 12
3543 221 H 49.0814 14.4821 3.18017 -0.00654671 -0.0022192 0.0203402 12
3544 222 H 50.8117 14.9421 3.2274 -0.000755674 -0.0028661 -0.00417495 12
3545 223 H 51.374 12.7974 2.11435 -0.00448857 0.000183817 0.000537637 12
3546 224 H 49.7241 12.2787 2.06055 -0.00915731 0.000724968 -0.00946256 12
3547 225 H 50.7415 14.9255 0.839645 0.00197216 -0.00102352 -0.0209443 12
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3549 227 H 49.183 14.2009 0.516796 0.00522963 0.00976031 -0.00702215 12
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3551 229 H 38.6447 11.8536 32.9512 -0.00396148 0.00607822 0.000483607 12
3552 230 H 37.3404 10.0457 33.3753 0.00120898 -0.00247419 0.00474611 12
3553 231 H 38.5171 9.14199 34.3307 0.017976 0.00681638 -0.00738796 12
3554 232 H 37.0093 11.6082 35.3279 0.000327465 0.000305431 0.00902703 12
3555 233 H 36.3898 9.95785 35.5784 0.000653329 0.0056424 -0.00012356 12
3556 234 H 38.3282 9.3266 36.8832 -0.00718326 0.00277523 0.00201392 12
3557 235 H 39.1707 10.807 36.5821 -0.00335546 0.0100475 -0.00433361 12
3558 236 H 38.2061 11.9936 38.1483 0.00697894 -0.0109764 -0.0036423 12
3559 237 H 36.5496 11.4885 37.705 0.00284319 -0.00102175 -0.00556427 12
3560 238 H 36.8979 9.42196 39.1059 -0.00633524 0.00560223 0.01251 12
3561 239 H 38.5862 9.78997 39.3354 0.00319769 0.01468 0.00212817 12
3562 240 H 37.9397 11.9717 40.488 -0.00875794 0.0055444 0.00502184 12
3563 241 H 36.2466 11.4475 40.2934 0.00337711 -0.00394546 -0.0106853 12
3564 242 H 36.6755 9.37392 41.5561 -0.00227587 0.00613766 0.0068666 12
3565 243 H 38.3911 9.76438 41.7476 -0.00348266 -0.00238521 -0.0064723 12
3566 244 H 37.6452 11.9761 42.9902 -0.0014996 0.00401282 -0.00910434 12
3567 245 H 36.0277 11.2756 42.9493 -0.00287755 0.0031838 -0.0100385 12
3568 246 H 36.7837 9.39054 44.2821 -0.00319339 0.000431976 -0.0122497 12
3569 247 H 38.4628 9.88328 44.1418 0.00297943 0.00818582 -0.013707 12
3570 248 H 37.8774 12.0836 45.3602 -0.00200023 0.000527875 -0.0138534 12
3571 249 H 36.2741 11.4267 45.6127 0.00760679 0.0106071 -0.00104955 12
3572 250 H 38.7327 9.99345 46.6257 0.00177344 0.00626781 0.00751034 12
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3574 252 H 37.0115 9.61293 46.9148 0.0055102 -0.00704835 -0.00824451 12
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3576 254 H 45.0878 14.6466 33.5542 0.0057931 -0.00441059 -0.00547577 12
3577 255 H 43.5961 14.3165 35.5556 0.00456267 -0.00442655 -0.019034 12
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3590 268 H 44.6004 16.0926 43.0692 0.0082406 0.00515095 0.00158449 12
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3596 274 H 46.6969 14.0169 45.745 0.0021184 0.00262644 0.007339 12
3597 275 H 44.8226 16.4443 45.671 0.00267196 0.0119351 0.0010036 12
3598 276 H 46.2606 16.2935 46.7131 -0.0100448 0.00136294 0.0035886 12
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3600 278 H 45.1067 5.85032 33.7207 0.0027047 -0.00311925 0.0119537 12
3601 279 H 46.0375 7.33559 34.1283 -0.000309984 0.00699426 0.0167096 12
3602 280 H 43.5602 6.89347 35.7642 -0.00496023 -0.00132017 0.00603908 12
3603 281 H 45.1102 7.52671 36.2484 -0.00658417 -0.00557417 0.00838921 12
3604 282 H 46.0516 5.14167 36.0137 -0.00201111 -0.0199157 -0.00446448 12
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3610 288 H 47.3179 5.55822 39.485 -0.00394671 0.000410474 -0.00491613 12
3611 289 H 46.8557 4.23189 40.5353 0.00673504 0.00182724 -0.00336927 12
3612 290 H 45.2821 6.85689 40.3743 0.00498954 0.00161535 -0.00862787 12
3613 291 H 46.5209 6.51835 41.5838 -0.00831428 0.0104565 0.0018769 12
3614 292 H 45.1819 4.36216 42.1633 -0.0046541 0.00120261 0.0031238 12
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3618 296 H 45.5547 7.19544 44.5027 -0.00805431 -0.00300715 0.000180195 12
3619 297 H 46.5434 5.92557 43.7394 0.00301053 0.0167485 0.00268069 12
3620 298 H 46.2884 4.94547 45.8417 0.000809412 -0.000280064 0.0049531 12
3621 299 H 44.989 4.20007 44.9354 -0.00407465 0.00288105 -0.00441815 12
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3626 2 C 1.70504 20.3809 29.2217 0.000353911 -0.00040998 -0.00285475 13
3627 3 C 1.23392 19.2814 28.5609 -0.00395172 0.000532752 0.00176603 13
3628 4 C 0.642696 18.2327 29.3358 0.0042294 -0.00220315 0.00315018 13
3629 5 C 0.585366 18.2755 30.7614 -0.000392808 0.00234436 -0.000336207 13
3630 6 C 1.02533 19.4709 31.4181 0.00523128 -0.00201473 -0.00165092 13
3631 7 C -3.87938 17.0522 30.5861 0.00484959 -0.000156909 -0.00186664 13
3632 8 C -3.86244 16.9157 29.1843 -0.000998626 -0.00066223 0.000124653 13
3633 9 C -2.63098 16.943 28.484 -0.00221228 -0.00100321 -0.000312527 13
3634 10 C -1.44768 17.0031 29.2323 -0.00303414 0.000988305 -0.000312562 13
3635 11 C -1.4966 17.0824 30.6607 0.00236548 -0.00245809 0.000451776 13
3636 12 C -2.72301 17.1242 31.3441 -0.00649842 0.000195004 0.0037641 13
3637 13 C 1.73597 13.6702 30.8123 0.000290005 -0.000805893 -0.00222994 13
3638 14 C 1.9492 13.7587 29.4414 -0.00304586 -0.00115408 -0.00221185 13
3639 15 C 1.44199 14.8276 28.7194 -0.00139937 -0.00159262 0.00392351 13
3640 16 C 0.729891 15.8489 29.407 0.000797456 -0.00370919 -0.00371473 13
3641 17 C -0.0167289 16.9804 28.7176 -0.000931848 0.0041606 0.00062469 13
3642 18 O 0.856374 14.4945 32.8925 0.00365913 0.00383281 0.00226502 13
3643 19 O -2.76247 17.2785 32.6974 -0.000309764 -0.00388968 -0.000854217 13
3644 20 O 0.902106 19.6842 32.7813 -0.000487672 0.0009079 -0.00194585 13
3645 21 C 1.02739 14.6774 31.5175 -0.00122396 0.00461883 0.00102788 13
3646 22 C 0.175459 16.9717 27.2821 0.00313306 -0.000126141 -0.000469814 13
3647 23 C 0.565813 16.9373 26.1307 0.00303348 0.000140266 0.000942554 13
3648 24 C 1.29557 16.9545 24.9239 0.000163091 0.0011943 0.00026178 13
3649 25 C 1.89233 15.7725 24.4522 0.001054 -0.00168542 0.000465272 13
3650 26 C 2.74845 15.8345 23.3575 -0.0011883 0.00209798 0.000739124 13
3651 27 C 3.14264 17.0744 22.8245 0.00392654 0.00124435 -0.00468991 13
3652 28 C 2.58401 18.2673 23.3393 0.0052255 0.000865456 -0.00314352 13
3653 29 C 1.66492 18.1957 24.3796 0.00312307 -0.000517752 -0.000186099 13
3654 30 C 3.97424 17.1613 21.6742 0.000448586 -0.00469047 0.00137227 13
3655 31 C 4.55706 17.2333 20.5925 0.00148131 -0.000882287 0.00097199 13
3656 32 C 3.46767 13.8029 18.2874 -0.00148067 -0.000463784 0.00160685 13
3657 33 C 3.82636 13.7758 16.9389 -0.000156474 0.0023195 -0.00171489 13
3658 34 C 4.42168 14.881 16.2999 0.00174336 -0.0015893 0.00305354 13
3659 35 C 4.71679 16.0214 17.0626 -0.00257388 -0.00113883 -0.000485309 13
3660 36 C 4.43671 16.0162 18.459 0.00173096 0.00574241 0.00499327 13
3661 37 C 3.75744 14.9501 19.0266 0.00216835 0.00432631 -0.00351228 13
3662 38 C 4.93505 17.2757 19.1871 0.00258616 -0.00366405 0.000548862 13
3663 39 C 8.82109 17.3213 19.1799 0.000868153 0.00273661 -0.00106012 13
3664 40 C 9.06215 17.4296 17.8086 -0.000557503 0.00566949 -0.000878654 13
3665 41 C 7.9967 17.4473 16.9312 -0.00031355 -0.000289918 0.000455706 13
3666 42 C 6.65888 17.3578 17.3903 -0.00267261 -0.000317369 -0.00365242 13
3667 43 C 6.43042 17.3529 18.7997 0.000763873 -0.000453848 0.00156285 13
3668 44 C 7.52944 17.323 19.6835 0.00278078 -0.000952043 -0.00120174 13
3669 45 C 2.90229 20.4089 18.1539 0.000761677 0.00360909 0.00284335 13
3670 46 C 3.13685 20.3688 16.7478 -0.00047203 -0.00171025 -0.00119106 13
3671 47 C 3.98906 19.3907 16.2178 -0.00048787 -0.00359123 -1.14605e-05 13
3672 48 C 4.50213 18.4263 17.0585 -0.00209509 0.000986554 0.00333197 13
3673 49 C 5.37388 17.282 16.5461 -0.00375921 0.00316902 -0.000113942 13
3674 50 C 4.26481 18.4543 18.4374 -0.000622124 0.00326611 -0.00302956 13
3675 51 C 3.50928 19.472 18.9896 0.00144494 0.000140709 -3.28899e-05 13
3676 52 O 8.22946 17.6408 15.5808 0.000344475 -0.0012943 -0.00207702 13
3677 53 O 4.80233 14.8684 15.0205 -0.000346078 0.00159911 -0.000815858 13
3678 54 O 4.2866 19.3301 14.8658 -0.000855915 0.00383659 -0.000365793 13
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3928 2 C 5.78471 27.0846 29.7968 -0.00352615 0.00335512 -0.00228899 14
3929 3 C 5.40123 25.9646 29.0706 0.000562984 0.00292714 -0.00164442 14
3930 4 C 4.7088 24.9536 29.7619 -0.00155881 0.000811081 -0.000481944 14
3931 5 C 4.4748 25.036 31.1598 -0.00110491 -0.00314978 -0.000133642 14
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3949 23 C 4.90524 23.621 26.548 -6.62781e-06 0.000702526 0.00195792 14
3950 24 C 5.67486 23.615 25.3631 -0.00259389 -0.000977267 -0.00219237 14
3951 25 C 6.7834 22.7414 25.2808 -0.000310498 0.00130683 -0.00247506 14
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3954 28 C 6.19165 24.5728 23.251 -0.000332511 -0.00129172 -0.00329466 14
3955 29 C 5.36885 24.5627 24.3652 0.000644066 0.00242929 0.0059799 14
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3957 31 C 8.6614 23.8557 20.9482 0.00214721 -0.00121524 -0.000808485 14
3958 32 C 6.82224 20.8551 18.3725 0.00289916 0.00172392 -0.00349481 14
3959 33 C 7.05345 20.9413 16.9664 -0.00260566 -0.000149878 -0.00222648 14
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3975 49 C 9.27926 24.1018 16.8916 0.000483436 0.00227108 1.90283e-05 14
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4021 95 C -1.21315 24.2903 34.2645 -0.00513014 0.000530601 -0.000401299 14
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4024 98 C -1.22685 23.7619 38.2519 -0.00132892 -0.00395901 -0.00201719 14
4025 99 C -1.97117 24.2631 39.5256 -3.07506e-05 0.000776112 -0.00063849 14
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4027 101 C -1.92 24.082 42.1205 -0.00298634 0.0033244 0.0023899 14
4028 102 C -1.10834 23.6293 43.3507 -0.000186625 0.00509104 0.00220594 14
4029 103 C -1.64336 24.1193 44.7062 -0.00340261 0.0016787 0.00189269 14
4030 104 C -0.926841 23.4041 45.8662 -0.000273749 0.000638161 -0.000939115 14
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4049 123 C 5.72403 20.1842 39.421 -0.00118819 -0.00533821 0.000715977 14
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4051 125 C 5.50857 19.4049 41.7793 -0.00233889 0.00148022 0.00271008 14
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4054 128 C 6.1627 18.3085 45.4483 -0.00231034 -0.000351188 -0.00272793 14
4055 129 C 5.84474 18.9245 46.7943 0.00196167 0.000973997 -0.000637492 14
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4242 14 C 9.81383 13.5109 29.8866 -0.00276367 -0.00539373 0.000981736 15
4243 15 C 9.28683 14.5043 29.1148 0.00279438 -0.00516829 0.00136133 15
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4300 72 C 14.1127 12.4356 12.6608 0.000972471 0.00191907 0.00506575 15
4301 73 C 14.4281 12.7679 11.2095 -0.000383003 0.000327256 -0.00389437 15
4302 74 C 14.8029 11.5382 10.3866 -0.00258799 0.00110903 -0.00203385 15
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4305 77 C 15.3823 12.3141 6.57856 -0.000204533 0.00229391 -0.00152284 15
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4309 81 C 14.1107 11.8887 2.29241 0.000398418 -0.00273991 0.000332852 15
4310 82 C 11.1901 18.8277 14.2036 -0.00184605 0.00138901 0.00356999 15
4311 83 C 11.9978 18.8238 12.8973 0.00138287 0.00262766 0.0021524 15
4312 84 C 11.1313 18.557 11.6467 -0.00189973 -0.00643961 0.00417253 15
4313 85 C 11.9012 18.9044 10.3298 0.00210934 0.00225401 -0.000918685 15
4314 86 C 11.0425 18.5679 9.09191 0.000594552 -0.00264396 -0.00196071 15
4315 87 C 11.6891 18.7658 7.69418 -0.00251394 -0.00194469 -0.00280421 15
4316 88 C 10.6447 18.5782 6.57441 -0.00188391 -0.00514878 -0.00588411 15
4317 89 C 11.2573 18.4792 5.16076 0.00227892 -0.00131639 0.000698027 15
4318 90 C 10.1497 18.4587 4.10632 -0.00233583 0.00150385 0.00491677 15
4319 91 C 10.5931 18.0353 2.71559 -0.000895169 1.4181e-05 0.00224972 15
4320 92 C 11.6876 18.9186 2.1147 0.00304839 0.00215474 0.00148382 15
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4324 96 C 1.56553 17.189 34.8545 0.000370945 -0.00203995 0.00166209 15
4325 97 C 1.32614 16.8381 36.3368 0.000650301 0.00347725 0.00341602 15
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4327 99 C 1.90904 16.8069 38.7868 -0.00125233 0.000898094 -0.00152137 15
4328 100 C 2.26515 17.6302 40.008 0.000631079 -0.000632378 -0.00337154 15
4329 101 C 2.22386 16.7617 41.2562 0.00142448 0.00371595 -0.00284 15
4330 102 C 2.20447 17.542 42.6113 -0.00174364 0.000753592 0.00367795 15
4331 103 C 2.2081 16.5177 43.7265 0.000589529 -0.00525248 -0.000350048 15
4332 104 C 2.26668 17.1249 45.1268 0.000961016 0.00277198 0.00224989 15
4333 105 C 2.62313 16.0978 46.2322 8.72828e-06 0.00199985 -3.43763e-05 15
4334 106 C 9.27999 20.8194 33.6862 -0.00352092 -0.00106021 0.00215221 15
4335 107 C 9.62095 20.6952 35.1905 -0.00037448 -0.000493889 -0.00550108 15
4336 108 C 10.0195 22.0664 35.7796 -0.00490512 -0.00373504 0.00124918 15
4337 109 C 9.4867 22.358 37.1955 -0.00184624 -0.00153244 -0.00243002 15
4338 110 C 10.131 21.525 38.2959 0.00342157 -0.00127618 -0.00126139 15
4339 111 C 10.3515 22.2874 39.5888 0.00162916 -0.00346766 0.00147343 15
4340 112 C 9.03959 22.4314 40.3769 0.00160418 0.000811515 0.00127065 15
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4342 114 C 9.6111 20.8733 42.3704 -0.00233937 -0.00264847 0.00174911 15
4343 115 C 9.90552 22.0233 43.3656 0.000307829 -0.0027817 0.00133671 15
4344 116 C 10.4358 21.4878 44.7532 0.00276921 -0.00452011 0.00204917 15
4345 117 C 9.34062 20.8774 45.6669 -1.51026e-05 -0.000436708 -0.00108714 15
4346 118 C 9.35875 13.4226 34.1047 0.00406847 -0.00450504 -0.000504793 15
4347 119 C 8.90819 13.5324 35.5594 0.000988932 0.00203572 -0.00446315 15
4348 120 C 9.73628 12.7649 36.5945 -0.00144966 0.00331079 -0.0011922 15
4349 121 C 9.19892 12.9838 38.0059 -0.000433318 -0.00324073 0.00545307 15
4350 122 C 10.2352 12.6542 39.0837 -0.00131767 -0.0041613 -0.00338136 15
4351 123 C 9.61172 12.8469 40.4901 0.000702032 0.00487542 0.000451072 15
4352 124 C 10.5929 12.4527 41.6077 0.00152175 -0.000589064 0.00288956 15
4353 125 C 9.88717 12.4057 42.9821 0.000504901 0.000488003 0.00535868 15
4354 126 C 10.8279 12.0461 44.1141 0.00279413 0.0032852 -0.00258867 15
4355 127 C 10.0679 12.2921 45.4182 -0.00548138 0.00601548 0.00120979 15
4356 128 C 10.6319 11.6181 46.6594 0.00246999 -0.00302263 -0.00334328 15
4357 129 C 11.8399 12.3546 47.3185 -0.00193241 0.000674479 -0.00269726 15
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4360 132 H 10.1904 21.0038 28.9529 -0.019953 0.00682544 0.00339481 15
4361 133 H 9.38167 18.9964 27.7662 -0.0205077 -0.00424652 -0.000325337 15
4362 134 H 2.94719 17.0224 30.5392 -0.000849576 -0.00409361 0.00379691 15
4363 135 H 3.42504 17.0562 28.1529 0.000589076 0.00313767 0.00691692 15
4364 136 H 5.76146 16.8729 27.3728 -0.00967392 0.00699682 -0.00115486 15
4365 137 H 10.0661 12.6849 31.8362 0.00543355 0.00495486 -0.00683462 15
4366 138 H 10.3995 12.7311 29.4089 0.00611852 -0.0073132 0.01497 15
4367 139 H 9.31853 14.4216 28.0325 0.00783466 -0.00596365 0.00157934 15
4368 140 H 10.9091 19.1564 23.0536 0.000727307 0.00544782 0.00712387 15
4369 141 H 9.27915 18.9604 25.0115 -0.00667693 -0.00211071 -0.00636084 15
4370 142 H 10.4866 13.0954 18.9908 0.00238909 -0.00541874 -0.00182513 15
4371 143 H 11.0549 12.9455 16.5637 0.00439215 0.00195408 0.00304996 15
4372 144 H 11.3832 14.9319 20.3514 -0.00288448 0.00999527 -0.00381148 15
4373 145 H 17.6516 17.0038 19.5562 0.00179263 -0.00544368 0.00373011 15
4374 146 H 17.751 17.3489 17.0103 -0.00555658 0.00510722 -0.00629278 15
4375 147 H 15.4539 17.1124 20.6685 0.00471843 0.0063113 -0.00160232 15
4376 148 H 10.403 21.2154 18.9687 0.00784271 0.01013 -0.00900207 15
4377 149 H 10.7763 21.2721 16.4776 -0.00137722 -4.74442e-05 -0.000305011 15
4378 150 H 13.239 17.2568 15.5792 -0.00311485 -0.000303951 -0.00107871 15
4379 151 H 11.3004 19.4376 20.2914 -0.0073527 -0.014797 -0.00110218 15
4380 152 H 7.54551 16.9296 32.7074 -0.0150178 -0.012997 0.00115327 15
4381 153 H 16.3313 15.8815 14.4363 0.0122239 0.00318031 0.0170102 15
4382 154 H 14.6101 16.107 14.4846 0.00280188 -0.0033644 0.000189215 15
4383 155 H 16.6065 17.621 12.7591 0.00425304 -0.00191197 0.00920433 15
4384 156 H 15.0545 18.3315 13.0792 -0.016219 -0.0106421 -0.00151888 15
4385 157 H 13.8138 16.5145 12.0166 0.00179851 0.000519032 0.00258578 15
4386 158 H 15.2425 15.4654 12.1366 0.00502333 0.00191895 -0.00386186 15
4387 159 H 16.308 16.7011 10.3429 -0.00175383 -0.006022 0.00284616 15
4388 160 H 15.0573 17.9121 10.1892 -0.000530257 -0.000197063 0.00115161 15
4389 161 H 13.4648 16.4912 9.17388 0.00297332 0.00458518 0.00623821 15
4390 162 H 14.2098 15.0018 9.82157 0.00348772 -0.00392739 0.00330027 15
4391 163 H 14.5491 15.0415 7.47792 0.012336 0.000694216 -0.00869175 15
4392 164 H 16.019 15.043 8.38346 -0.00190181 0.00262888 0.0119786 15
4393 165 H 16.5615 17.3077 7.77123 -0.00287284 0.00886119 -0.00521612 15
4394 166 H 14.8949 17.7019 7.45722 0.000999682 0.00460684 -0.0139309 15
4395 167 H 16.3708 15.6524 5.70393 0.00474461 -0.00124591 0.00450887 15
4396 168 H 16.567 17.3785 5.39336 7.07294e-05 0.0017357 0.0018943 15
4397 169 H 14.1491 17.6503 5.05806 -0.00656947 0.00151067 -0.0100197 15
4398 170 H 13.9039 15.9004 5.23599 -0.0010849 -0.00214063 -0.00773192 15
4399 171 H 13.8673 16.2234 2.94546 0.000523741 0.00231367 -0.000488324 15
4400 172 H 15.5416 15.675 3.20637 -0.00987175 -0.00520981 0.00664439 15
4401 173 H 16.4611 17.9381 2.94737 -0.00123142 0.00517228 -0.00121233 15
4402 174 H 14.8363 18.6169 2.91328 0.0198911 0.0117148 0.00609208 15
4403 175 H 15.9838 16.633 0.793689 0.0107998 0.00973785 -0.00634948 15
4404 176 H 15.8032 18.3831 0.641671 -0.00839001 0.00450385 -0.00380704 15
4405 177 H 14.374 17.3435 0.81732 0.00154917 -0.00722744 0.00755752 15
4406 178 H 13.551 12.9054 15.4926 0.00134429 -0.000401237 0.000591674 15
4407 179 H 12.1162 12.8033 14.4633 0.000891413 0.00301354 -0.0172347 15
4408 180 H 13.3397 14.4435 12.9128 0.00340011 -0.000520325 -0.00699389 15
4409 181 H 14.7703 14.1442 13.8897 -0.0092262 0.00638584 0.0130895 15
4410 182 H 14.9034 11.8222 13.1101 -0.005049 -0.00608229 0.004742 15
4411 183 H 13.2083 11.8163 12.7043 -0.00212193 0.00719235 0.0162685 15
4412 184 H 13.5399 13.2617 10.7964 0.00568393 0.0103962 -0.00489227 15
4413 185 H 15.285 13.4528 11.2063 0.00203855 -0.00273696 -0.0099799 15
4414 186 H 15.514 10.9505 10.9803 -0.000106212 -0.00467088 -0.0107361 15
4415 187 H 13.8848 10.9875 10.1473 -0.000141865 0.000214469 -0.00936748 15
4416 188 H 16.2731 12.6584 9.31808 0.00662025 -0.00978525 0.00642693 15
4417 189 H 16.0993 10.9841 8.86745 -0.00572273 -0.00422515 0.00393301 15
4418 190 H 13.8971 11.2689 7.78842 -0.0122721 0.0114411 -0.00047327 15
4419 191 H 13.9073 12.9978 8.09737 -0.00486039 -0.00516846 0.00971436 15
4420 192 H 16.1256 13.1045 6.73996 0.00152005 0.00141505 -0.00520247 15
4421 193 H 15.8704 11.3616 6.3379 -0.00168422 0.000404181 0.00292851 15
4422 194 H 13.8075 11.8212 5.21425 0.00755292 0.000125042 -0.0332422 15
4423 195 H 13.8149 13.526 5.59627 0.00712573 0.00280034 0.0195775 15
4424 196 H 16.0126 13.7855 4.44198 -0.00571734 0.00757553 -0.00406345 15
4425 197 H 16.0941 12.094 4.0029 -0.0150641 -0.0144386 -0.00427434 15
4426 198 H 13.8921 13.8937 3.04858 -0.000111762 -0.000339822 -0.00571115 15
4427 199 H 15.3478 13.673 2.14378 0.00480429 -0.0154384 -0.00572906 15
4428 200 H 13.379 11.4768 2.99834 0.0127212 -0.0103914 0.00864648 15
4429 201 H 13.6256 12.1147 1.33485 -0.0091209 0.00526293 0.00705274 15
4430 202 H 14.8944 11.1456 2.09977 0.00626102 0.00110361 0.00939493 15
4431 203 H 11.0331 17.7861 14.5098 -0.000266884 -0.000255314 -0.00119768 15
4432 204 H 10.2657 19.4109 14.1098 0.000244535 0.00146655 -0.0166677 15
4433 205 H 12.4001 19.8389 12.7917 -0.00264627 0.0050137 0.00957715 15
4434 206 H 12.8123 18.0912 12.9544 0.00907346 0.0106982 -0.00411049 15
4435 207 H 10.8152 17.5078 11.596 0.00404883 -0.00790261 -0.00290877 15
4436 208 H 10.2533 19.2146 11.647 -0.00367321 -0.00880556 0.00145658 15
4437 209 H 12.0664 19.9844 10.2318 -0.00434484 0.00297488 -0.00402587 15
4438 210 H 12.8732 18.3958 10.3225 -0.000930656 -0.00369336 0.00804742 15
4439 211 H 10.7884 17.5078 9.21462 0.0190127 -0.006893 -0.000215924 15
4440 212 H 10.1476 19.1961 9.18152 -0.000921541 -0.00608737 0.00713745 15
4441 213 H 12.1167 19.7706 7.589 -0.00277888 -0.00194184 -0.00386354 15
4442 214 H 12.4672 18.019 7.49356 -0.00126767 0.003303 -0.0176372 15
4443 215 H 10.0207 17.6887 6.72542 -0.00644662 0.00153053 0.0144084 15
4444 216 H 10.0069 19.4697 6.61664 0.00319503 -0.00128491 -0.0105531 15
4445 217 H 11.9444 19.3165 4.98719 0.00386192 -0.0044803 -0.00830827 15
4446 218 H 11.8753 17.5776 5.06763 0.00551063 0.00205562 -0.0106304 15
4447 219 H 9.31635 17.8502 4.47847 -0.00819004 0.00867912 0.00354439 15
4448 220 H 9.80981 19.5017 4.09478 -0.00308144 0.00124939 0.00414616 15
4449 221 H 10.923 16.9894 2.74187 -9.63541e-05 0.000346227 0.00549731 15
4450 222 H 9.7081 18.1203 2.07292 0.00889796 0.00106761 -0.0110878 15
4451 223 H 11.4043 19.971 2.23941 -0.00322829 -0.0010201 0.0139917 15
4452 224 H 12.6251 18.7765 2.66634 0.0120433 0.0158077 -0.0102687 15
4453 225 H 12.2526 17.6291 0.422734 0.00887414 -0.00082904 -0.00332239 15
4454 226 H 11.0192 18.9038 0.0421461 0.0014757 -0.00147027 0.000727388 15
4455 227 H 12.736 19.3024 0.253641 0.00164063 0.000193985 0.00672275 15
4456 228 H 2.86066 18.1679 32.6065 -0.00122818 -0.0014123 -0.00236762 15
4457 229 H 2.63764 16.4265 32.5056 0.00600221 0.00406891 -0.00327444 15
4458 230 H 3.48356 16.1892 34.8219 0.000337459 -0.00133631 -0.00652638 15
4459 231 H 3.58839 17.9602 35.0011 0.00385291 -0.00848045 0.00232535 15
4460 232 H 1.07885 18.1559 34.6766 -0.00648528 -0.00866848 -0.0155523 15
4461 233 H 1.00313 16.4824 34.2317 0.00115265 -0.00820785 0.00795165 15
4462 234 H 0.269402 16.9917 36.588 -0.00210463 -0.00989205 -4.4954e-05 15
4463 235 H 1.50967 15.7623 36.4481 -0.0123424 0.001618 0.00692096 15
4464 236 H 3.19497 17.6255 37.21 0.00244928 0.00329423 -0.00222538 15
4465 237 H 1.80724 18.6177 37.5757 -0.000267768 -0.00126291 -0.016668 15
4466 238 H 0.851338 16.5426 38.9085 -0.000996954 0.00289103 0.00505792 15
4467 239 H 2.45493 15.856 38.7523 0.00549547 0.00498465 -0.00729675 15
4468 240 H 3.24876 18.099 39.8809 0.00541913 -0.00980393 -0.000129758 15
4469 241 H 1.50426 18.4189 40.0573 0.00325916 0.00220787 -0.00816898 15
4470 242 H 1.33539 16.1194 41.2174 0.000191365 0.00489301 0.00587284 15
4471 243 H 3.09573 16.0971 41.2155 -0.000674906 -0.000213018 0.0164401 15
4472 244 H 3.11602 18.1511 42.6487 -0.00346894 0.00425486 -0.0105108 15
4473 245 H 1.35543 18.229 42.7137 0.000477363 0.00412403 -0.000506545 15
4474 246 H 1.29555 15.9161 43.6332 0.00512996 -0.0127303 0.00353586 15
4475 247 H 3.07106 15.8462 43.6379 0.00833338 0.00520345 -0.00401372 15
4476 248 H 3.13145 17.7988 45.1642 0.00677687 -0.0050512 0.00944536 15
4477 249 H 1.39069 17.7343 45.3811 -0.00128516 -0.00481968 0.0126969 15
4478 250 H 3.63436 15.7231 46.0313 0.00233834 0.00903587 -0.00151595 15
4479 251 H 2.6928 16.6168 47.1961 0.00910592 0.00127093 -0.000296605 15
4480 252 H 1.88875 15.2862 46.3055 0.000750077 0.00161245 0.00311638 15
4481 253 H 10.0758 21.4129 33.2194 -0.00615866 0.00302374 0.00282118 15
4482 254 H 8.36904 21.4128 33.5396 0.00605526 0.0138186 0.00296771 15
4483 255 H 8.83331 20.1765 35.7508 -0.00460532 0.00264693 -0.00856002 15
4484 256 H 10.4619 19.9937 35.2546 -0.00298709 -0.00304922 0.000877045 15
4485 257 H 11.1065 22.2145 35.7777 -0.00506978 -0.00239207 0.0089546 15
4486 258 H 9.63889 22.8743 35.1425 -0.000461806 -0.00751828 -0.0061729 15
4487 259 H 9.67822 23.4044 37.4631 -0.00474625 -0.00155102 -0.000252518 15
4488 260 H 8.39717 22.2695 37.2878 -0.002353 -0.0019382 -0.00889471 15
4489 261 H 9.48496 20.6585 38.4835 -0.00212086 0.00769355 0.0210109 15
4490 262 H 11.0616 21.1373 37.8632 0.00519955 -0.00819808 0.00884043 15
4491 263 H 11.095 21.7303 40.1722 0.005246 -0.00443849 -0.00406092 15
4492 264 H 10.761 23.2717 39.3302 -0.00985112 0.00146908 0.00208436 15
4493 265 H 9.11802 23.3343 40.9949 0.000944664 -0.0078784 0.014031 15
4494 266 H 8.25417 22.6332 39.6382 -0.0049992 -0.00863461 0.00572436 15
4495 267 H 7.66008 21.4967 41.7041 -0.00607444 -0.00985025 -0.00405051 15
4496 268 H 8.52451 20.2939 40.6656 0.00164119 -0.0013034 0.00346919 15
4497 269 H 9.21327 19.9993 42.9007 -0.0184753 0.010317 0.0110593 15
4498 270 H 10.6021 20.6654 41.9485 0.000201949 0.000770641 0.00599411 15
4499 271 H 10.6586 22.6931 42.9323 -0.0114155 0.0100739 0.000801854 15
4500 272 H 9.03572 22.6799 43.4911 0.00278096 -0.00385173 0.0239042 15
4501 273 H 11.2613 20.7974 44.54 0.00935418 0.0063163 -0.0076671 15
4502 274 H 10.8643 22.3094 45.3403 -0.00347239 -0.0117419 0.0167512 15
4503 275 H 8.68317 21.6486 46.0871 0.00627734 0.00301701 0.00240521 15
4504 276 H 8.66524 20.1718 45.1676 0.00411534 0.000519839 -0.00800325 15
4505 277 H 9.82222 20.3724 46.5133 0.0111992 -0.00226491 -0.00855319 15
4506 278 H 8.98317 12.4632 33.728 0.0158231 -0.00516923 -0.0105237 15
4507 279 H 10.4544 13.4035 34.0547 0.00458003 0.0108341 0.00487223 15
4508 280 H 7.8593 13.2183 35.6273 -0.00041055 0.0092775 0.00753695 15
4509 281 H 8.92322 14.6005 35.8091 0.00353822 0.000319454 0.00268915 15
4510 282 H 10.7723 13.1228 36.549 0.00162748 -0.0049366 0.00433698 15
4511 283 H 9.67339 11.6911 36.3791 -0.0107273 0.00673117 -0.015606 15
4512 284 H 8.26837 12.4106 38.1006 -0.00454964 0.00647516 0.0236843 15
4513 285 H 8.92608 14.0372 38.1445 -0.00899615 -0.00437956 -0.00277939 15
4514 286 H 11.0795 13.3405 38.9441 -0.00920217 0.00716273 0.00450799 15
4515 287 H 10.5765 11.6262 38.9104 0.00128609 -0.00307247 -0.00468823 15
4516 288 H 8.70668 12.2329 40.5753 0.00110895 0.00387343 -0.00243663 15
4517 289 H 9.34222 13.8993 40.6426 0.00954149 0.0037909 0.0237154 15
4518 290 H 11.4509 13.1352 41.6443 -0.000963252 0.00359703 -0.0170851 15
4519 291 H 11.0375 11.4823 41.3546 0.0134904 0.0011059 0.0174269 15
4520 292 H 9.12622 11.621 42.8899 0.00956953 -0.0069524 -0.00656861 15
4521 293 H 9.41122 13.3775 43.1627 -0.00126447 0.00220669 -0.00848155 15
4522 294 H 11.7541 12.6339 44.1066 0.0094634 -0.0067934 0.0264744 15
4523 295 H 11.0895 10.9832 44.0417 0.00485538 0.00464603 -0.0150272 15
4524 296 H 9.07236 11.8633 45.2493 -0.00307433 0.00037492 0.00134197 15
4525 297 H 9.91486 13.3565 45.6353 0.00263243 0.00700215 0.00207299 15
4526 298 H 10.8835 10.5692 46.4597 0.0254845 0.00178306 0.00044269 15
4527 299 H 9.87158 11.5008 47.4414 -0.00112309 -0.00937 -0.00778669 15
4528 300 H 12.6097 12.4066 46.5387 -0.00300019 0.00731188 -0.00331026 15
4529 301 H 12.2306 11.8644 48.2187 0.00213089 -0.00692845 -0.00861557 15
4530 302 H 11.559 13.3762 47.6029 -0.00677109 -0.00283525 0.0051578 15
4531 1 C 13.4188 27.0643 31.4392 0.00401432 0.000586455 0.00198279 16
4532 2 C 13.6681 26.9873 30.0604 0.00105339 0.00491826 -0.0075611 16
4533 3 C 13.1921 25.9143 29.3298 -0.00150632 0.000150182 -0.00102573 16
4534 4 C 12.515 24.8635 30.0253 -0.00314647 -0.00077235 -9.81743e-05 16
4535 5 C 12.3016 24.9064 31.4314 0.00168881 0.00781584 -0.00134375 16
4536 6 C 12.7479 26.0392 32.1607 -0.0011075 -0.00271266 0.00506555 16
4537 7 C 7.82281 23.7926 30.6934 0.00316376 0.00145779 -0.000488872 16
4538 8 C 8.04356 23.7063 29.3037 0.000709956 -0.0028876 -0.000652517 16
4539 9 C 9.35007 23.6014 28.8095 0.00200141 0.00208316 -0.00283671 16
4540 10 C 10.4301 23.6731 29.7496 0.00328129 -0.00347813 -0.000685338 16
4541 11 C 10.2056 23.7021 31.138 -0.00463711 -0.0024187 -0.00182622 16
4542 12 C 8.91506 23.7842 31.6238 -2.95838e-05 -0.00135386 0.00431846 16
4543 13 C 13.4497 20.3007 31.5987 0.00304015 0.0023807 -0.000113972 16
4544 14 C 13.5602 20.2968 30.2058 -0.00267479 -0.000594774 -0.00205996 16
4545 15 C 13.1266 21.3899 29.4721 0.00202072 0.00139971 -0.00466529 16
4546 16 C 12.4543 22.4606 30.0935 0.00271493 0.000866091 0.00253868 16
4547 17 C 11.8953 23.6241 29.3032 0.000599622 -0.000585704 0.00200385 16
4548 18 O 12.7048 21.3194 33.6501 -0.00176944 -0.000866352 0.00208837 16
4549 19 O 8.61464 24.0009 32.9776 5.29104e-05 -0.00110254 -0.00227302 16
4550 20 O 12.6413 26.1443 33.539 -0.00396258 0.000275774 0.00374705 16
4551 21 C 12.7862 21.35 32.2935 0.00370233 0.00102933 -0.000904844 16
4552 22 C 12.247 23.5956 27.8776 0.00325297 -0.00130115 0.0026939 16
4553 23 C 12.7444 23.5758 26.7646 0.0062328 -0.00198502 -0.000772844 16
4554 24 C 13.5131 23.6166 25.5613 -0.000126999 0.000291929 -0.0022219 16
4555 25 C 14.7402 22.916 25.5398 -0.000710905 0.00367391 0.000404104 16
4556 26 C 15.5417 22.8622 24.3687 -0.00439909 -0.00283669 0.00608953 16
4557 27 C 15.1351 23.5503 23.2225 0.00398039 -0.00300436 -0.00145547 16
4558 28 C 13.9333 24.2573 23.238 0.00291606 -0.00179546 0.000477388 16
4559 29 C 13.0828 24.2672 24.378 0.000797831 0.000158159 -0.00107812 16
4560 30 C 15.9391 23.5968 22.0055 0.00227373 0.00313899 -0.00177678 16
4561 31 C 16.4216 23.6616 20.8725 0.000699676 -0.0020777 -0.00260911 16
4562 32 C 14.8343 20.6088 18.3551 -0.00234789 -0.00163023 0.0034588 16
4563 33 C 15.0247 20.6611 16.954 -0.00177219 0.00210769 -0.00112112 16
4564 34 C 15.739 21.7346 16.3741 0.00077378 -0.0018778 0.000636729 16
4565 35 C 16.2522 22.7372 17.2531 -0.00316794 -0.00292677 0.000685677 16
4566 36 C 16.1437 22.629 18.6503 -0.00299537 0.00114008 -0.00124325 16
4567 37 C 15.4369 21.5595 19.1775 -0.00313245 0.0017301 -0.00130122 16
4568 38 C 16.7402 23.7571 19.4235 0.000650541 0.000553043 0.000911598 16
4569 39 C 20.6051 24.1142 19.2345 0.00141274 0.00103176 -0.00291212 16
4570 40 C 20.7597 24.0955 17.8007 -0.00211955 -0.00366348 0.00117821 16
4571 41 C 19.671 23.9328 16.974 -0.00279525 0.00379812 0.00119151 16
4572 42 C 18.3931 23.8787 17.5441 0.00466369 0.000325598 -0.00329276 16
4573 43 C 18.2461 23.7944 18.9589 -0.00185087 -0.00108222 0.00125642 16
4574 44 C 19.3559 23.9808 19.8 0.00176832 -0.00058776 0.00201073 16
4575 45 C 15.3163 27.3272 18.6794 -0.000649711 -0.0038469 0.00105019 16
4576 46 C 15.5529 27.4198 17.3109 -0.00082173 -0.00178372 0.000424647 16
4577 47 C 16.0404 26.299 16.6464 0.00152268 -0.00162713 -0.000206172 16
4578 48 C 16.3917 25.1334 17.3701 0.000733411 -0.00138096 0.00130482 16
4579 49 C 17.0783 23.9074 16.7637 -0.000925753 0.00166484 0.000523081 16
4580 50 C 16.1771 25.0737 18.7833 0.00177286 0.0026461 -0.000801508 16
4581 51 C 15.5792 26.1635 19.4335 -0.00302388 -0.000244228 -0.00173602 16
4582 52 O 19.8433 23.9006 15.6164 0.000159582 0.000173058 -0.00180455 16
4583 53 O 15.7987 21.9312 15.0097 0.00274629 0.000923438 -7.13509e-05 16
4584 54 O 16.3452 26.446 15.2955 0.000444406 -0.00200159 -0.00114005 16
4585 55 C 11.4964 23.6925 31.9695 -0.00250812 0.00257768 0.000292205 16
4586 56 C 12.286 22.4555 31.5257 -0.00193992 -0.000414668 -0.0025807 16
4587 57 C 19.5625 22.7094 14.8142 0.00215133 0.00257151 -0.00393951 16
4588 58 C 18.7085 22.996 13.5581 -0.00030304 0.00447052 0.00145511 16
4589 59 C 19.4297 23.0307 12.2325 0.00159612 -0.00359629 -0.000760617 16
4590 60 C 18.5057 22.9951 10.9865 0.00140813 -0.00242688 -8.49052e-05 16
4591 61 C 19.2025 23.3348 9.65371 -0.0036836 0.00594917 -0.00698976 16
4592 62 C 18.3398 23.2773 8.41071 -0.00114114 -0.00167854 -0.000585003 16
4593 63 C 19.0674 23.6427 7.10592 0.00034238 -0.000389751 -0.000576922 16
4594 64 C 18.2214 23.5156 5.84451 0.00176876 -0.0013297 0.00109817 16
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4596 66 C 18.0671 23.6941 3.29323 0.00420244 -0.000119731 -0.00155883 16
4597 67 C 18.5834 24.3861 2.01562 -0.00372347 -0.00274233 0.00269448 16
4598 68 C 19.9006 23.8643 1.46331 -0.000958598 -0.000640148 -0.00520385 16
4599 69 F 16.6028 22.0257 24.386 -0.00101363 -0.000507766 -0.000475124 16
4600 70 C 15.3139 21.0118 13.9876 -0.00378768 0.000637841 0.00481257 16
4601 71 C 15.2367 21.6779 12.6284 -0.000708676 0.000836681 -0.00185744 16
4602 72 C 15.0668 20.7146 11.4346 -0.00179197 0.000935752 -0.00178699 16
4603 73 C 15.0119 21.5087 10.1033 -0.00245825 -0.00577593 -0.00245807 16
4604 74 C 14.9702 20.5624 8.88253 -0.00118119 -0.00421117 0.000359778 16
4605 75 C 15.1077 21.2993 7.56421 0.00327649 -0.00194893 0.00163963 16
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4607 77 C 15.6007 20.8673 5.07173 -0.00298465 0.00219325 -0.00314827 16
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4610 80 C 15.4386 21.8538 1.99424 -0.000125886 -0.00109314 -0.00231651 16
4611 81 C 14.8465 21.5055 0.617309 -0.00505105 0.00219285 0.00160491 16
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4613 83 C 18.0342 26.5934 13.5179 0.000511356 -0.00150403 0.00245623 16
4614 84 C 18.0126 28.0404 13.0574 0.00226886 -5.56936e-05 -0.00474422 16
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4617 87 C 18.6832 28.2165 9.26529 -0.00300988 0.00299049 0.00313799 16
4618 88 C 18.0059 27.6407 7.99029 -0.000360375 -0.00131448 -0.00074268 16
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4622 92 C 17.3158 27.6392 2.99239 0.00257076 0.00138098 -0.000530309 16
4623 93 C 17.7021 27.969 1.51641 -0.000640227 0.00238271 0.00136599 16
4624 94 C 7.25799 23.7623 33.4874 0.00111612 -0.000379186 0.00362392 16
4625 95 C 7.07036 23.9659 35.0421 0.00337404 -0.00635879 0.00071399 16
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4627 97 C 5.12687 24.2047 36.824 -0.00400088 -0.000895865 0.000536157 16
4628 98 C 5.88662 23.8796 38.0928 -0.000226816 0.000202604 0.000831096 16
4629 99 C 5.25926 24.6527 39.2696 -9.96047e-05 0.00550179 0.000666032 16
4630 100 C 6.07528 24.7424 40.608 0.00135392 -0.000874899 -0.00325928 16
4631 101 C 5.60027 23.8238 41.6829 0.00194165 0.00147176 -0.0042529 16
4632 102 C 6.3843 24.1736 42.9618 -0.00299062 -0.000728536 -0.00188342 16
4633 103 C 5.92457 23.3412 44.1561 0.0026683 -0.00490138 -0.000212249 16
4634 104 C 6.73926 23.7824 45.4301 0.000410906 0.000315698 -0.0063686 16
4635 105 C 6.15417 23.2131 46.7193 0.00403616 -0.00202759 0.000376287 16
4636 106 C 13.2846 27.2627 34.1742 -0.000874389 0.00161291 6.82058e-06 16
4637 107 C 13.181 27.2722 35.6947 0.00070514 0.00438889 0.00408719 16
4638 108 C 13.9132 28.4705 36.349 -0.000168399 0.000196665 0.00184693 16
4639 109 C 14.2912 28.261 37.8476 -0.00252214 0.00259344 -0.00276247 16
4640 110 C 13.103 28.2523 38.8331 -0.000518541 -0.00410821 2.51488e-05 16
4641 111 C 13.5765 27.903 40.2356 0.000434081 0.002069 -0.000913796 16
4642 112 C 14.0968 29.0486 41.0987 -0.00218982 -0.00715576 0.000921563 16
4643 113 C 14.2041 28.6165 42.5651 0.000614597 -0.000255532 -0.00273179 16
4644 114 C 14.2787 29.8074 43.5307 0.00456774 -0.00164524 0.000699104 16
4645 115 C 14.3134 29.3506 45.0176 -0.00289525 0.00634676 0.00412684 16
4646 116 C 13.3117 28.2073 45.375 0.00360803 0.00352518 -0.00116043 16
4647 117 C 13.1436 27.9062 46.8989 0.000947522 -0.00303118 0.000339561 16
4648 118 C 13.3175 20.2051 34.3735 -0.000281292 0.00353683 -0.0015477 16
4649 119 C 13.358 20.42 35.8906 7.84601e-05 -0.000706383 -0.000521328 16
4650 120 C 13.913 19.264 36.7192 0.00045506 -0.000647008 -0.000758002 16
4651 121 C 14.0501 19.7696 38.1538 4.65153e-05 -0.00191055 -0.00180335 16
4652 122 C 14.2585 18.6361 39.1067 -0.00255125 0.00294432 0.00149938 16
4653 123 C 14.6354 19.1012 40.5325 -0.00462349 0.000671769 0.00209138 16
4654 124 C 13.6013 19.9239 41.2842 0.00197363 0.00139173 0.00132937 16
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4656 126 C 13.9518 19.2277 43.8155 -0.00346579 -0.00213615 0.00184897 16
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4659 129 C 12.6557 19.514 46.7471 -0.000437995 -0.00319728 0.000371371 16
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4700 170 H 19.1042 25.0316 4.64298 -0.00881544 0.00462238 -0.00155364 16
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4814 284 H 13.1536 20.3294 38.4474 -0.00486874 -0.00667441 -0.00776016 16
4815 285 H 14.8439 20.5226 38.2326 -0.00127434 0.00011885 -0.00786225 16
4816 286 H 15.0693 18.004 38.7241 -6.43276e-05 0.00448631 0.0042091 16
4817 287 H 13.3197 18.0725 39.1736 -0.00449746 0.00882825 0.024069 16
4818 288 H 15.6245 19.57 40.606 -0.00728581 0.00660994 -0.000171173 16
4819 289 H 14.7934 18.2032 41.1425 0.00436261 -0.00127139 -0.00309175 16
4820 290 H 12.6243 19.4265 41.2454 -0.000769994 0.007081 -0.00265717 16
4821 291 H 13.5085 20.828 40.6699 -0.0026864 0.000262391 0.000374348 16
4822 292 H 13.4136 21.1413 43.0739 0.00731381 0.00174757 0.00817352 16
4823 293 H 15.0894 20.6727 42.652 0.000497578 0.00577394 0.00543169 16
4824 294 H 14.4517 18.2995 43.512 -0.00501638 0.00185107 -0.0128989 16
4825 295 H 12.8962 18.9739 43.9723 -0.00599245 0.00807499 0.00133478 16
4826 296 H 14.3579 20.8528 45.2715 0.00209533 0.00814354 -0.000473661 16
4827 297 H 15.6707 19.7418 45.1031 0.000224664 -0.000741383 -0.00846008 16
4828 298 H 14.7296 19.4446 47.1856 0.00787984 -0.00664599 -0.00240154 16
4829 299 H 14.1634 17.995 46.2902 0.00778667 0.0043261 -0.00490656 16
4830 300 H 12.3576 19.1039 47.7198 -0.0021795 -0.00892559 -0.00257207 16
4831 301 H 11.9709 19.1 45.9967 0.00955062 -0.014386 -0.00260915 16
4832 302 H 12.6198 20.6102 46.7671 -0.0181048 -0.00374953 -0.00280675 16
4833 1 C 17.5732 20.2884 31.2294 -0.000109011 0.00176864 0.00142878 17
4834 2 C 17.739 20.1821 29.8427 0.000336306 0.00237578 0.00492663 17
4835 3 C 17.1372 19.1359 29.1572 -0.00390573 0.00103401 0.000714402 17
4836 4 C 16.4857 18.1516 29.8738 -0.00357101 0.00134334 0.00164307 17
4837 5 C 16.2789 18.2277 31.2543 0.00421535 0.000743286 -0.00378644 17
4838 6 C 16.7992 19.3685 31.9595 -0.000174965 0.00107114 -0.000558337 17
4839 7 C 11.8368 16.9514 30.5443 -0.00188204 0.00225516 -0.000869488 17
4840 8 C 12.0739 16.8126 29.1591 0.00109673 0.00295868 -0.00252842 17
4841 9 C 13.3781 16.8159 28.6661 0.00112543 0.00102677 0.00327011 17
4842 10 C 14.4105 16.9054 29.5772 0.000864217 -0.00460298 0.00161982 17
4843 11 C 14.1816 17.0044 30.9742 0.00128651 0.00405505 0.00271226 17
4844 12 C 12.8611 17.0486 31.4729 -0.000956595 0.00157334 0.00177552 17
4845 13 C 17.3046 13.4959 31.6235 -3.25994e-06 -0.00188219 0.00251442 17
4846 14 C 17.5178 13.4959 30.2426 -0.00153198 0.00333848 -0.00144848 17
4847 15 C 17.0428 14.5214 29.486 -0.000445952 -0.00329998 -0.0032712 17
4848 16 C 16.4648 15.6806 30.0369 -0.00144961 0.00226169 -0.00063243 17
4849 17 C 15.8988 16.8683 29.2216 0.000919963 0.0068411 0.000747963 17
4850 18 O 16.4586 14.573 33.6204 -0.000853829 -0.00143956 0.000706659 17
4851 19 O 12.5887 17.0759 32.8371 -0.00242323 0.00146501 -0.000193867 17
4852 20 O 16.6962 19.4601 33.3412 -0.00228232 -0.00377137 -0.000527118 17
4853 21 C 16.6514 14.5861 32.2451 0.000408562 0.00245219 -0.000527201 17
4854 22 C 16.2647 16.7683 27.7969 0.00589435 -0.00212874 0.000712232 17
4855 23 C 16.847 16.6868 26.7395 0.00161833 -0.00439293 -0.000610258 17
4856 24 C 17.801 16.6794 25.6533 0.00141628 -0.00666749 0.00234016 17
4857 25 C 18.2737 15.4862 25.0986 -0.00113556 -0.00098 0.00289097 17
4858 26 C 19.18 15.52 24.0264 -0.00562453 0.000413663 -0.00439369 17
4859 27 C 19.5855 16.7767 23.4487 0.00198401 0.00392359 -0.000610969 17
4860 28 C 19.1305 17.9679 24.0663 0.000590817 0.00370801 -0.00206259 17
4861 29 C 18.2609 17.9028 25.1539 0.00112798 -0.0015615 -7.22944e-05 17
4862 30 C 20.2681 16.8627 22.2036 0.0026897 -0.00115766 0.00162824 17
4863 31 C 20.7053 16.9309 21.0625 0.000883929 -0.00300311 0.0055179 17
4864 32 C 19.0751 13.7683 18.7102 -0.00440201 0.000799513 6.85103e-05 17
4865 33 C 19.2137 13.8414 17.3184 0.00526557 0.00266998 0.00165525 17
4866 34 C 19.8617 14.9301 16.6943 0.00135291 -0.00164901 0.0033657 17
4867 35 C 20.2817 15.9873 17.4697 -0.0016765 0.000107619 -0.000194722 17
4868 36 C 20.2318 15.8664 18.8926 -0.00255957 -0.0016442 0.000879196 17
4869 37 C 19.6302 14.7363 19.5102 -0.00140038 -0.00137094 0.00157823 17
4870 38 C 20.8385 17.1074 19.63 -0.00182474 0.00123259 0.00296322 17
4871 39 C 24.636 17.1277 19.0512 -0.00185278 0.00195342 -0.00212786 17
4872 40 C 24.6094 17.0996 17.6248 0.00329126 -0.00659487 -0.000531575 17
4873 41 C 23.4497 17.1034 16.8948 -0.00129621 -0.00140802 0.00164205 17
4874 42 C 22.2607 17.2574 17.6446 -0.00306112 -0.00204527 -0.00260207 17
4875 43 C 22.2359 17.2246 19.0457 0.0015119 0.00190287 -0.00259829 17
4876 44 C 23.4443 17.2005 19.7459 0.0025855 -0.00224802 -0.00138062 17
4877 45 C 18.7166 20.3144 19.1195 0.00315248 0.00447621 -0.000644527 17
4878 46 C 18.7963 20.3908 17.7153 0.00487792 -0.000543061 -0.00218764 17
4879 47 C 19.5353 19.4637 16.9946 0.00173008 -0.00496259 -0.00394389 17
4880 48 C 20.2003 18.4462 17.6883 -0.00204458 3.07921e-05 -0.00282775 17
4881 49 C 20.9238 17.2809 16.9708 -0.00307209 -0.00011178 0.00189568 17
4882 50 C 20.1156 18.3187 19.0652 0.00330605 -0.000803744 -0.00199315 17
4883 51 C 19.3266 19.2466 19.7784 -0.00405744 0.000697387 0.00249105 17
4884 52 O 23.3712 17.1912 15.5396 -0.000616372 -1.67037e-05 -0.000327341 17
4885 53 O 19.9831 14.9107 15.3344 -0.00123646 -0.000201073 0.00184119 17
4886 54 O 19.616 19.5174 15.644 0.000783765 0.00233032 0.00378903 17
4887 55 C 15.4832 17.0401 31.8533 -0.00231086 -0.00166565 -0.000629302 17
4888 56 C 16.2232 15.6998 31.4285 0.00177863 -0.000251707 -0.000448207 17
4889 57 C 24.3706 17.7495 14.703 -0.00663197 0.00199887 0.000843509 17
4890 58 C 23.864 17.9189 13.2681 0.00118714 0.00159723 -0.00208697 17
4891 59 C 22.7824 16.943 12.7797 0.00321004 0.00173861 -0.00143562 17
4892 60 C 22.3422 17.3549 11.3693 -0.00262048 0.00140129 -0.00188371 17
4893 61 C 23.1532 16.8322 10.1787 -0.00134464 0.000329067 -0.00040754 17
4894 62 C 22.829 17.6072 8.87704 0.00271923 -0.00304842 0.00432841 17
4895 63 C 23.2984 16.8536 7.60612 -0.00352161 -0.00414221 0.00108017 17
4896 64 C 23.0464 17.6312 6.34484 0.00194194 0.0022893 0.0026468 17
4897 65 C 23.1716 16.7286 5.06425 -0.00174547 0.0013953 0.00410042 17
4898 66 C 23.4808 17.5778 3.80451 0.00418539 -0.00308144 -0.000121213 17
4899 67 C 23.5715 16.793 2.52124 -0.00148833 -0.00117427 -0.00169587 17
4900 68 C 22.1805 16.4902 1.88291 -0.00142671 -4.10979e-05 -0.00222205 17
4901 69 F 19.5889 14.3291 23.4815 0.00101187 -0.00186067 -0.0011021 17
4902 70 C 21.1867 14.44 14.7175 0.00037998 -0.00141968 -7.62827e-05 17
4903 71 C 21.1551 12.8746 14.6088 -0.00244938 0.00496146 0.00278089 17
4904 72 C 22.2208 12.3056 13.6102 0.00465456 -0.00372618 0.00219955 17
4905 73 C 21.9755 12.5339 12.0864 -0.00353486 0.000727354 -0.00182089 17
4906 74 C 23.0564 11.8457 11.2152 -0.00240273 0.000753862 -0.00496856 17
4907 75 C 22.7002 11.5131 9.76664 -0.00353521 0.00114598 0.000920759 17
4908 76 C 22.9299 12.6265 8.73398 0.00478838 0.000261786 0.00464076 17
4909 77 C 22.6428 12.0184 7.3252 0.000825924 0.00384872 0.00162152 17
4910 78 C 22.9728 13.0097 6.17491 0.000286514 -0.000240021 -0.00157271 17
4911 79 C 22.5301 12.3994 4.8371 -0.00214332 0.00111009 0.0017541 17
4912 80 C 22.8174 13.3006 3.61159 0.000407308 -0.00286974 -0.000261667 17
4913 81 C 22.4022 12.6495 2.28933 0.00458874 -0.00390345 0.00351451 17
4914 82 C 18.4016 19.3491 14.933 -0.00173693 -0.000531118 -0.00309545 17
4915 83 C 18.6634 19.6336 13.4248 -5.77553e-05 0.000559131 0.00118555 17
4916 84 C 19.1799 18.4156 12.7095 -0.00127947 0.00443948 -0.00381547 17
4917 85 C 18.8271 18.3043 11.2155 -0.000953336 0.00303198 -0.000162161 17
4918 86 C 19.5038 19.2281 10.213 -0.00139923 -0.00166139 0.00385694 17
4919 87 C 18.8249 19.1332 8.83436 -0.00234348 0.00022907 -0.00119227 17
4920 88 C 19.6701 19.7631 7.70933 -0.00266686 0.00172471 0.0013821 17
4921 89 C 19.0436 19.5786 6.29835 -0.000219905 -0.00164337 0.00273207 17
4922 90 C 19.9682 20.1679 5.20622 -0.0017685 0.000320553 -0.00322829 17
4923 91 C 19.3724 20.2411 3.74466 0.00127153 -0.00461738 0.00211265 17
4924 92 C 19.3787 18.8929 2.98334 0.0012217 0.00460981 -0.0033339 17
4925 93 C 18.8993 19.0958 1.52423 0.00125391 -0.00236239 -0.00058261 17
4926 94 C 11.2142 17.2813 33.3002 0.00413155 -0.00180857 0.000601561 17
4927 95 C 11.0856 17.0146 34.7908 -0.00170181 0.0014849 0.000166696 17
4928 96 C 9.6787 17.2006 35.3158 -0.00277021 0.00241955 0.00177864 17
4929 97 C 9.56481 16.9589 36.8389 -0.001163 0.00356016 0.00157386 17
4930 98 C 10.33 17.9759 37.6812 0.00191844 0.00179637 -0.00235428 17
4931 99 C 9.88016 18.0239 39.1735 0.00062842 6.78137e-05 0.00433635 17
4932 100 C 9.69956 16.6483 39.8208 0.00358592 -0.00176857 -0.00191982 17
4933 101 C 9.54956 16.7686 41.3743 0.000560462 -0.00193169 0.00225826 17
4934 102 C 10.8683 17.2037 42.0554 0.000199115 0.000734993 -0.00308298 17
4935 103 C 10.924 16.7978 43.5167 -0.00369388 -0.0041152 -5.75728e-05 17
4936 104 C 9.93586 17.5576 44.4167 5.69432e-05 -0.000148609 4.57521e-06 17
4937 105 C 9.80947 16.9748 45.8619 -0.00373144 -0.000421779 -0.00614262 17
4938 106 C 17.5528 20.3685 34.092 0.000263653 -0.00227024 0.00281614 17
4939 107 C 16.9807 20.7579 35.4586 0.00196943 -0.00334132 0.00204135 17
4940 108 C 17.7563 21.9124 36.1102 0.000789653 -0.000370538 0.00135491 17
4941 109 C 17.4078 22.1364 37.6094 -0.000958062 0.00198091 -0.00228814 17
4942 110 C 17.8099 20.8913 38.4733 0.00157293 0.000945281 4.4196e-05 17
4943 111 C 18.2489 21.174 39.945 -0.00520094 -0.00305577 0.00452982 17
4944 112 C 17.2757 22.0576 40.7527 -0.00198494 -0.00201285 -0.00182395 17
4945 113 C 17.7544 22.3298 42.19 0.000667638 -0.00791716 0.00303256 17
4946 114 C 18.0919 21.0361 43.0057 -0.000873571 -0.000530987 0.00199565 17
4947 115 C 18.6283 21.3306 44.4118 -0.00148636 -0.00140562 -0.00346173 17
4948 116 C 17.6562 22.2001 45.2786 0.00346476 0.00207347 -0.00404176 17
4949 117 C 18.1283 22.3753 46.7578 0.000163241 -0.00173593 0.00066423 17
4950 118 C 17.2751 13.6362 34.4228 0.00123479 0.00351231 0.0018356 17
4951 119 C 16.7182 13.5719 35.8526 0.00140881 0.000868583 0.00174285 17
4952 120 C 17.607 12.7879 36.8553 0.00217098 0.00164574 0.00145137 17
4953 121 C 16.9516 12.6094 38.2394 0.000816049 8.1208e-05 -0.00202239 17
4954 122 C 17.9656 12.3862 39.358 -0.00220143 0.00135812 0.000458709 17
4955 123 C 17.2294 12.1476 40.6894 0.00280811 0.000900408 0.00357337 17
4956 124 C 18.0163 12.6552 41.8912 0.00131701 0.0028106 -0.00254426 17
4957 125 C 17.3022 12.252 43.1815 -0.00289312 -0.00154133 -0.00436004 17
4958 126 C 17.9679 12.7192 44.4398 0.00176438 0.00058286 0.00220733 17
4959 127 C 17.3553 12.0925 45.6893 0.00226213 -0.00450448 -0.0022669 17
4960 128 C 18.0827 12.5929 46.9396 -0.00271709 0.00501458 -0.000151857 17
4961 129 C 17.5731 11.8267 48.1828 0.00676313 -0.00418989 -0.0027516 17
4962 130 F 17.9349 14.3124 25.6534 -0.00082573 -0.0014669 -0.00173438 17
4963 131 H 18.0354 21.1551 31.6926 -0.015059 0.00890494 0.00300801 17
4964 132 H 18.3064 20.9364 29.3056 -0.00141459 -0.00193398 -0.00296479 17
4965 133 H 17.2078 19.1264 28.0735 0.00455886 0.00204164 0.00125923 17
4966 134 H 10.7954 16.9301 30.8516 -0.00244825 -0.00908493 -0.00356202 17
4967 135 H 11.2329 16.6758 28.4858 0.000634534 -0.0121793 0.00111048 17
4968 136 H 13.5966 16.6907 27.6097 0.00319277 0.00616926 0.00308736 17
4969 137 H 17.6665 12.6089 32.1352 0.0132287 0.00491146 0.00491304 17
4970 138 H 17.9679 12.6518 29.7286 0.00295687 0.00486986 -2.51112e-05 17
4971 139 H 17.2002 14.3999 28.4184 0.00183858 -0.0171447 -0.0013745 17
4972 140 H 19.4497 18.9364 23.6927 0.00242303 0.0022759 -0.00421071 17
4973 141 H 17.8934 18.8022 25.6393 -0.0105781 -0.00986493 0.00650403 17
4974 142 H 18.6344 12.8767 19.1464 -0.0050487 -0.00554221 -0.0134813 17
4975 143 H 18.8587 12.9847 16.7532 0.00109084 0.00456508 0.00140379 17
4976 144 H 19.5054 14.6638 20.5865 -0.00507773 -0.0160166 0.000154597 17
4977 145 H 25.5664 17.1182 19.6113 -0.00242075 -0.0133797 -0.00147529 17
4978 146 H 25.5526 17.0183 17.0927 -0.00423591 0.00472222 -0.0155819 17
4979 147 H 23.4739 17.0921 20.8261 -0.0159333 0.00536908 -0.000130866 17
4980 148 H 18.1796 21.0807 19.6707 0.0059721 0.00470671 0.00178046 17
4981 149 H 18.2623 21.2079 17.2393 -0.000955179 -0.0075522 -0.00765517 17
4982 150 H 20.9251 17.3357 15.8751 -0.00703181 0.00375716 0.00208451 17
4983 151 H 19.1587 19.2152 20.8509 0.00434209 0.0107939 0.00410709 17
4984 152 H 15.3051 17.1576 32.9294 -0.000937367 0.00670603 -0.00131173 17
4985 153 H 24.6463 18.7533 15.0493 0.000109936 0.00373852 -0.00950751 17
4986 154 H 25.3249 17.2133 14.7757 -0.00930425 -0.0045318 -0.0126943 17
4987 155 H 24.6471 17.9219 12.4999 0.007228 0.00385414 0.00411581 17
4988 156 H 23.398 18.9107 13.2164 0.00055551 0.00195304 0.0106567 17
4989 157 H 21.9493 17.0429 13.4864 0.0103252 -0.0124346 0.00898218 17
4990 158 H 23.0491 15.8791 12.7998 -0.0114571 -0.00216136 -0.0121044 17
4991 159 H 22.287 18.4498 11.3277 5.62152e-05 0.00189338 0.00755926 17
4992 160 H 21.3122 17.0233 11.1891 0.00147724 -0.00890183 -0.0063346 17
4993 161 H 22.982 15.7542 10.0688 -0.00177756 0.00149107 -0.0110438 17
4994 162 H 24.2205 16.8938 10.4247 -0.000814936 -0.0119739 0.000472005 17
4995 163 H 23.2027 18.6375 8.92256 -0.00301989 -0.000538648 -0.0052924 17
4996 164 H 21.7344 17.6792 8.86724 0.00314706 0.00378039 0.0066304 17
4997 165 H 22.7556 15.902 7.54838 -0.00907474 -0.00186151 0.0155863 17
4998 166 H 24.3802 16.6774 7.65244 -0.00199109 0.00475649 -0.00065365 17
4999 167 H 23.7884 18.4391 6.35387 -0.00466022 0.00848575 -0.0122576 17
5000 168 H 22.0439 18.0711 6.41514 0.00584019 0.0116922 -0.000686159 17
5001 169 H 22.2231 16.1913 4.94196 -0.000963954 0.00251446 -0.0068277 17
5002 170 H 23.919 15.9371 5.19941 0.00990209 0.0096127 -0.012345 17
5003 171 H 24.4349 18.0884 3.98471 0.0110758 -0.0131926 -0.00807393 17
5004 172 H 22.7767 18.4068 3.66123 -0.000542201 -0.00457525 0.014587 17
5005 173 H 24.1495 15.8862 2.7381 -0.0143581 -0.00421037 0.0199236 17
5006 174 H 24.1391 17.3599 1.77306 -0.00870715 0.0145305 0.00473229 17
5007 175 H 21.4809 16.1218 2.64339 0.0144233 0.00302049 0.0138535 17
5008 176 H 22.3386 15.7341 1.10401 -0.0019754 -0.0038043 0.00131474 17
5009 177 H 21.715 17.4046 1.49484 0.0046874 0.0058523 0.0043029 17
5010 178 H 21.1476 14.8294 13.6926 -0.0055868 -0.0167913 -0.0057037 17
5011 179 H 22.094 14.8143 15.2074 0.00251176 0.00043064 -0.00543066 17
5012 180 H 21.3127 12.5219 15.6355 0.00598528 -0.011116 -0.00408295 17
5013 181 H 20.1346 12.5445 14.3782 0.00542251 -0.0183628 0.0015768 17
5014 182 H 23.162 12.824 13.8314 0.00332979 0.00724146 -0.0178737 17
5015 183 H 22.4407 11.2619 13.8663 0.00273968 -0.00758966 -0.0120075 17
5016 184 H 20.9823 12.1345 11.8468 -0.00629724 0.00461724 0.00309314 17
5017 185 H 22.0024 13.6055 11.8532 0.0136255 -0.00263491 -0.0154007 17
5018 186 H 23.9565 12.4715 11.1759 0.000144717 -0.00244894 0.00275405 17
5019 187 H 23.2849 10.8951 11.7127 -0.0172205 -0.00115261 -0.0017723 17
5020 188 H 23.3316 10.6683 9.46502 -0.0113994 -0.000471104 -0.0110549 17
5021 189 H 21.695 11.074 9.7774 -0.00252906 -0.00112257 0.00331416 17
5022 190 H 22.2599 13.4854 8.86347 0.00747371 0.000514384 0.0166462 17
5023 191 H 23.947 13.0366 8.70734 0.00571002 -0.0027224 -0.00699581 17
5024 192 H 23.2472 11.1163 7.16935 0.00180815 0.00465957 0.000721802 17
5025 193 H 21.5767 11.7726 7.24527 0.00120231 0.00328033 -0.00165699 17
5026 194 H 22.4605 13.9686 6.32146 -0.00206006 0.000415006 -0.0140524 17
5027 195 H 24.0456 13.2389 6.17197 0.000317659 -0.000509538 -0.00950212 17
5028 196 H 23.0364 11.4453 4.64547 -0.0136008 -0.00665457 0.0101955 17
5029 197 H 21.4542 12.1856 4.82617 -0.00331153 0.00667267 0.00896653 17
5030 198 H 22.319 14.2645 3.77274 0.00462299 0.000477132 -0.00726435 17
5031 199 H 23.8897 13.5319 3.61366 0.00294585 -0.014654 -0.00305776 17
5032 200 H 22.4888 13.3393 1.44069 0.00367313 -0.0100382 -0.00157214 17
5033 201 H 23.1467 11.8712 2.08118 -0.00071076 -0.00774216 -0.0010134 17
5034 202 H 21.4014 12.2036 2.34488 0.00413888 -0.00256634 0.00615903 17
5035 203 H 18.0383 18.3209 15.0524 -0.0162208 0.00443819 -0.00431565 17
5036 204 H 17.6093 20.0053 15.3138 0.00140236 -0.00363407 0.00876717 17
5037 205 H 17.7603 20.0076 12.9269 0.00246248 0.00830931 0.0024327 17
5038 206 H 19.4554 20.3903 13.3657 -0.00492392 0.00428206 -0.0159087 17
5039 207 H 20.2633 18.3472 12.8675 -0.00288239 -0.00475543 0.00326837 17
5040 208 H 18.7859 17.5145 13.1953 2.54348e-06 0.00792873 0.00369512 17
5041 209 H 18.9527 17.2422 10.9717 0.0107169 0.00215209 0.00962821 17
5042 210 H 17.7472 18.4974 11.2037 -0.00262588 -0.00609213 0.00272579 17
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5045 213 H 18.6637 18.0816 8.56698 0.000246609 0.000528725 -0.00394332 17
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5051 219 H 20.1728 21.2166 5.45494 -0.00967859 0.000101628 0.00418367 17
5052 220 H 20.914 19.613 5.17433 -0.00189258 -0.000607726 0.00960964 17
5053 221 H 18.3355 20.5776 3.86723 0.00757507 0.0101193 0.0151435 17
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5095 263 H 18.3046 20.2145 40.4738 -0.00987553 -0.00339195 0.00442703 17
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5099 267 H 18.6571 22.9523 42.2234 -0.00142957 -0.00410599 -0.0124164 17
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5112 280 H 15.7612 13.0382 35.7999 -0.00533647 0.0138624 -0.00683956 17
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5118 286 H 18.6513 13.2389 39.437 0.00294059 -0.00235325 -0.00405631 17
5119 287 H 18.5917 11.5095 39.1512 -0.00546977 -0.00158649 0.00303169 17
5120 288 H 17.095 11.0663 40.8156 0.00847502 0.000605539 0.0071278 17
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5136 2 C 21.3842 27.1183 30.2825 -0.00235296 0.000646601 0.000656945 18
5137 3 C 20.934 26.0047 29.5759 -0.00429161 0.0015495 0.000351892 18
5138 4 C 20.2504 24.9753 30.2438 0.00167807 -0.0066607 0.00271453 18
5139 5 C 20.0628 25.1004 31.6478 -0.00114535 0.000206928 0.000512214 18
5140 6 C 20.6229 26.1904 32.3674 -0.0018711 0.00197148 0.0011111 18
5141 7 C 15.6093 23.6643 31.0169 -0.00260307 0.00206366 -0.00119668 18
5142 8 C 15.8098 23.62 29.6158 0.000473185 0.00476211 0.000638112 18
5143 9 C 17.1053 23.6373 29.1412 -1.92253e-05 -0.00244207 0.00163665 18
5144 10 C 18.1856 23.7383 30.0382 0.00173477 -0.000462864 -0.00202748 18
5145 11 C 18.0048 23.7762 31.4495 -0.000530025 0.0018471 0.000387578 18
5146 12 C 16.6493 23.7446 31.9247 0.00139475 0.00294493 -0.00037823 18
5147 13 C 21.381 20.5072 31.7372 0.00263393 -0.0015416 0.00146646 18
5148 14 C 21.5689 20.5627 30.3546 0.000962538 0.00111055 -0.00193049 18
5149 15 C 20.9639 21.5669 29.6124 0.000442142 -0.000614504 -0.00208942 18
5150 16 C 20.2952 22.6111 30.3059 -0.00107842 0.00189608 -0.00161558 18
5151 17 C 19.6107 23.7707 29.5963 -0.00494968 0.00461694 -0.00114973 18
5152 18 O 20.5293 21.3546 33.8271 -0.00327669 0.00121298 -0.0012492 18
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5155 21 C 20.6859 21.5032 32.4488 -0.00359655 0.00345935 0.00520987 18
5156 22 C 19.8758 23.7778 28.1423 0.00182203 0.000689082 0.00139997 18
5157 23 C 20.4429 23.808 27.0775 -0.000275538 -0.00176529 -0.0029778 18
5158 24 C 21.2981 23.866 25.9373 0.00457843 3.04972e-05 0.000707267 18
5159 25 C 21.5921 25.0951 25.3446 -0.0026712 0.000506703 0.00330701 18
5160 26 C 22.4806 25.1093 24.2621 0.00308858 -0.00413285 4.78013e-05 18
5161 27 C 23.0382 23.9174 23.7645 0.00115886 0.00386437 0.0025978 18
5162 28 C 22.7116 22.6781 24.367 -0.000916666 -0.000885309 0.00278577 18
5163 29 C 21.8557 22.6873 25.4816 -0.000529536 -0.00145758 0.00203508 18
5164 30 C 23.729 23.927 22.5431 0.00160862 -0.00109824 0.000737488 18
5165 31 C 24.1811 23.8619 21.4425 -0.00217995 -0.00119981 -0.0026613 18
5166 32 C 22.5858 20.7911 18.8598 -0.00367792 0.00304051 -0.00301808 18
5167 33 C 22.7142 20.9063 17.4728 -0.00208178 0.000346938 -0.00223012 18
5168 34 C 23.3111 22.0461 16.9222 2.47841e-05 0.000865941 -0.00300839 18
5169 35 C 23.889 22.9849 17.7786 -0.00067172 0.00482607 -0.00372648 18
5170 36 C 23.7123 22.8481 19.2039 0.000763742 0.00370496 0.00499753 18
5171 37 C 23.0664 21.7529 19.7358 0.000969756 -0.00106234 -0.00261776 18
5172 38 C 24.4854 23.9101 20.001 0.00309519 -0.000728757 -0.00252331 18
5173 39 C 28.3416 23.6221 19.7517 0.000297927 -0.000334621 -0.000958788 18
5174 40 C 28.457 23.68 18.341 -0.00233642 0.00210346 -0.000944095 18
5175 41 C 27.3212 23.7379 17.5568 0.00158067 0.00223727 -0.000456892 18
5176 42 C 26.0483 23.8152 18.1724 0.0036048 -0.00143476 -0.00468398 18
5177 43 C 25.908 23.7664 19.5677 0.000430455 -4.71943e-05 0.0031479 18
5178 44 C 27.0886 23.6749 20.3791 -0.00149916 -2.63154e-05 0.000427726 18
5179 45 C 22.9821 27.4562 19.2911 -0.000202166 -0.00246741 0.0016667 18
5180 46 C 23.2677 27.5834 17.9468 -0.00424843 -0.000765902 -0.00431478 18
5181 47 C 23.9367 26.548 17.2755 -0.00598406 -0.00234364 0.00309727 18
5182 48 C 24.2542 25.3784 17.9877 0.000187285 -0.00169361 0.00356517 18
5183 49 C 24.8214 24.1112 17.3887 0.00159158 0.00146164 0.001758 18
5184 50 C 24.0672 25.2575 19.3825 0.00158376 0.00216061 -0.00735431 18
5185 51 C 23.3991 26.3346 20.0193 -0.00188168 0.000736965 0.000945559 18
5186 52 O 27.4099 23.9134 16.142 0.00361 0.00131034 0.00316798 18
5187 53 O 23.3079 22.3175 15.6033 0.00172535 0.00168835 0.00159344 18
5188 54 O 24.2577 26.6045 15.9075 0.000629761 -0.000497076 0.00134685 18
5189 55 C 19.3407 23.8501 32.2468 -0.00276832 0.0047758 0.00104224 18
5190 56 C 20.1554 22.6033 31.7142 0.0018986 0.00444291 -0.00257491 18
5191 57 C 27.5998 22.7706 15.2769 0.000311609 0.00426967 -0.00248048 18
5192 58 C 26.5459 22.814 14.1412 -0.000404201 0.0010128 0.00379094 18
5193 59 C 27.1482 23.2518 12.7533 -0.00120549 0.00332462 0.00058389 18
5194 60 C 26.1624 23.2708 11.5694 0.00368434 0.00282808 -0.00134407 18
5195 61 C 26.8923 23.7048 10.3215 0.00361795 0.0052777 0.00525992 18
5196 62 C 26.0852 23.5793 9.01889 0.00321204 -0.00403306 0.00231988 18
5197 63 C 26.941 23.943 7.77405 -0.0032186 -0.00352636 0.00787122 18
5198 64 C 26.1467 23.7218 6.45355 0.0021615 0.000636048 -8.77356e-05 18
5199 65 C 27.0339 23.975 5.21546 0.00170859 0.00150984 0.00032709 18
5200 66 C 26.316 23.6493 3.8792 -0.00139823 -0.000870654 0.000721019 18
5201 67 C 27.0447 24.1264 2.64691 0.000591983 0.00206695 -0.00159312 18
5202 68 C 26.3974 23.585 1.39142 0.00435414 0.000905993 0.00450115 18
5203 69 F 22.6449 26.3055 23.6462 0.00256832 0.00234403 -0.00224724 18
5204 70 C 23.066 21.3429 14.5786 0.0019885 -0.00630024 0.00083274 18
5205 71 C 22.9645 22.1632 13.2703 -0.00516518 0.000939202 -0.00620544 18
5206 72 C 22.8532 21.3083 11.9898 0.00103654 -0.00428737 -0.00165889 18
5207 73 C 22.6979 22.1358 10.753 6.63336e-05 -0.000521634 0.00139164 18
5208 74 C 22.8923 21.3449 9.44956 0.00613304 0.0051828 -0.000165827 18
5209 75 C 22.7267 22.2132 8.19577 0.00322341 -0.000280009 0.0012303 18
5210 76 C 23.107 21.3802 6.95924 -0.00164707 -0.000896293 -0.00341446 18
5211 77 C 22.9714 22.2126 5.68063 0.000943739 0.00318144 0.00189952 18
5212 78 C 23.313 21.3666 4.44559 -0.00262935 0.000252362 0.000984582 18
5213 79 C 22.7649 21.9828 3.14718 0.00203076 0.000302533 -0.0020267 18
5214 80 C 22.6872 20.9705 1.97331 -6.66367e-05 -0.000553484 0.000892606 18
5215 81 C 24.0512 20.3754 1.65373 -0.00403008 -0.00132118 -0.000325479 18
5216 82 C 25.5752 26.8615 15.4956 -0.00137517 0.00271144 -0.00272147 18
5217 83 C 25.7748 26.4491 14.0228 -0.00186832 -0.00461994 0.00443208 18
5218 84 C 25.83 27.6845 13.1211 -0.00107527 -0.00156039 -0.00195731 18
5219 85 C 26.1634 27.3623 11.6223 -0.00103222 -0.00254517 0.00540771 18
5220 86 C 25.2509 28.1598 10.6981 0.00331563 0.00083412 0.00466743 18
5221 87 C 25.2914 27.8794 9.20341 -0.00440595 -0.00123321 -0.00170251 18
5222 88 C 26.4999 28.543 8.47984 0.00080581 0.000818068 0.00159885 18
5223 89 C 26.2362 28.7381 6.93258 0.00436439 0.000624107 -0.00176117 18
5224 90 C 25.9681 27.3849 6.20813 -0.0025536 0.0034083 -0.00114716 18
5225 91 C 25.6074 27.5785 4.71019 -0.00299428 -0.00115108 0.000646668 18
5226 92 C 26.7726 28.2538 3.92073 -0.00248748 0.00350184 0.00281718 18
5227 93 C 26.3376 28.4439 2.41799 0.00208814 -0.00096989 -0.000109728 18
5228 94 C 15.0206 23.493 33.7904 -0.000685885 -0.00467594 8.54071e-05 18
5229 95 C 14.842 23.8733 35.248 0.00222378 0.00250324 -0.00353596 18
5230 96 C 13.3709 23.7869 35.774 -0.000324596 0.00053802 0.00312705 18
5231 97 C 13.2562 23.68 37.3295 0.00403051 0.00092816 0.0011383 18
5232 98 C 14.0153 24.7442 38.1554 0.0024142 -0.00756203 -0.00107253 18
5233 99 C 14.5273 24.2609 39.5361 -0.00166156 1.28135e-05 0.00221861 18
5234 100 C 13.3435 23.8405 40.4511 -0.0022122 -0.00242041 0.00180997 18
5235 101 C 13.7479 23.6354 41.9193 0.00171924 -0.0027915 0.0019242 18
5236 102 C 14.0976 24.9272 42.6843 -0.00516365 -0.00256795 -0.000410149 18
5237 103 C 14.6011 24.6456 44.1146 0.00120641 0.00169588 0.00103054 18
5238 104 C 13.5159 23.9984 45.0164 -0.00226949 0.00300922 -0.00327927 18
5239 105 C 14.0459 23.6233 46.4178 -0.0017452 0.00360329 0.00130877 18
5240 106 C 20.5733 27.7139 34.3168 -0.00272382 0.00298515 0.00165387 18
5241 107 C 20.7272 27.7158 35.841 -0.00109423 -0.00187028 0.000655925 18
5242 108 C 21.6022 28.8634 36.4041 -0.00317988 -0.00292768 4.85279e-06 18
5243 109 C 21.425 29.0535 37.9261 0.00549093 0.00438342 0.00221168 18
5244 110 C 21.6941 27.7672 38.7585 0.00208056 -0.00133844 0.00404857 18
5245 111 C 22.2073 27.9877 40.1834 0.00167851 0.000638822 0.00249509 18
5246 112 C 21.2949 28.8172 41.0867 0.00094518 -0.00215544 -0.00342076 18
5247 113 C 21.8436 29.1016 42.4989 0.00422211 -0.00111964 0.0025707 18
5248 114 C 22.0755 27.8665 43.3486 0.000611983 0.00171942 -0.00139993 18
5249 115 C 22.5735 28.1295 44.7735 0.00353681 -0.00270095 -0.00287957 18
5250 116 C 21.4272 28.54 45.7302 -0.00101696 0.00197185 -0.00226685 18
5251 117 C 21.9609 28.8795 47.1371 -0.000599295 0.00164303 -0.00155948 18
5252 118 C 21.3033 20.3669 34.562 -0.000655022 0.00212662 0.00010056 18
5253 119 C 20.8329 20.2696 36.0625 0.00216701 0.00543293 -0.00350737 18
5254 120 C 21.7434 19.3115 36.8448 0.00334937 -0.000198714 -0.00280138 18
5255 121 C 21.3089 19.2913 38.3324 -0.000858093 -0.000579637 -0.000557119 18
5256 122 C 22.3136 18.4488 39.1163 5.71415e-05 0.00231177 -0.00298971 18
5257 123 C 21.8785 18.1039 40.5654 -0.000644733 -0.00267688 -0.000582692 18
5258 124 C 21.7871 19.3441 41.5275 -0.00113765 -0.00373392 0.00144911 18
5259 125 C 21.3757 18.8389 42.9197 -0.00524414 -0.00263008 0.00251774 18
5260 126 C 21.9232 19.6184 44.0779 -7.8719e-05 0.00261332 0.00078659 18
5261 127 C 21.8018 18.9195 45.4345 -0.000182632 0.00360429 0.00411169 18
5262 128 C 22.6066 19.7106 46.4653 0.00272328 0.00278682 9.31717e-05 18
5263 129 C 22.5829 19.0278 47.8502 -0.000307443 -0.00205346 0.00161059 18
5264 130 F 21.0133 26.2595 25.7656 -0.0019641 -0.00157545 0.00213682 18
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5266 132 H 21.9097 27.8977 29.7385 -0.00334027 -0.000169247 -0.00146608 18
5267 133 H 21.0608 26.048 28.4982 -0.00547113 -0.00757664 -0.000138557 18
5268 134 H 14.5704 23.5755 31.3205 -0.0032742 0.00606573 -0.00232702 18
5269 135 H 14.9944 23.5828 28.8995 -0.00189402 0.0134751 0.00287908 18
5270 136 H 17.2593 23.5979 28.0669 0.00175197 -0.00313999 0.00191661 18
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5272 138 H 22.0866 19.7839 29.8024 -0.00488308 -0.00795358 0.00538829 18
5273 139 H 21.0413 21.5995 28.5297 -0.00723879 0.00794124 -0.00241193 18
5274 140 H 23.0451 21.7726 23.8688 -0.0223628 -0.00417602 -0.00561971 18
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5277 143 H 22.2288 20.1936 16.8127 -0.00718816 -0.00430691 0.00656719 18
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5279 145 H 29.2557 23.6743 20.3358 -0.000490566 -0.0109213 0.00119571 18
5280 146 H 29.4189 23.8237 17.8578 -0.00116707 -0.0211434 -0.0054649 18
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5283 149 H 22.8728 28.4636 17.4481 -0.00930289 0.00121162 0.00313237 18
5284 150 H 24.9353 24.1847 16.3001 0.000662966 0.00443914 0.00186006 18
5285 151 H 23.0988 26.3128 21.0627 -0.00413444 0.0144869 0.000603106 18
5286 152 H 19.2158 23.8968 33.3356 -0.00249595 0.00754378 0.000955797 18
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5292 158 H 27.6061 24.2377 12.9005 -0.00742812 0.00628418 6.38324e-05 18
5293 159 H 25.3334 23.9435 11.8218 0.0126158 0.00583836 0.0200925 18
5294 160 H 25.7605 22.2653 11.3939 -0.00244692 0.00437583 0.00387269 18
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5297 163 H 25.1942 24.2165 9.07831 0.0139464 0.0106678 0.00564331 18
5298 164 H 25.7578 22.5345 8.95174 -0.00806675 6.45446e-05 -0.00619759 18
5299 165 H 27.8524 23.3327 7.75931 0.00268196 0.005438 0.00164994 18
5300 166 H 27.2363 24.9982 7.8278 0.0103392 -0.00743624 0.00996566 18
5301 167 H 25.3335 24.458 6.46034 0.00542021 0.0041168 0.0161407 18
5302 168 H 25.7228 22.7112 6.40664 -0.00335457 0.00234102 0.0131266 18
5303 169 H 27.9305 23.3493 5.30424 -0.000408434 -0.00114631 0.00302697 18
5304 170 H 27.3507 25.0249 5.1859 -0.00582051 0.00363925 -0.00496685 18
5305 171 H 25.328 24.1253 3.85315 -0.00122934 -0.000233114 0.00613742 18
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5307 173 H 28.0897 23.7925 2.64645 -0.0015086 -0.00449626 0.0108053 18
5308 174 H 27.0172 25.2229 2.6294 0.0130719 0.00247201 0.00459489 18
5309 175 H 25.3586 23.9041 1.24152 0.00642755 0.0102294 0.0100502 18
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5311 177 H 26.9422 23.8722 0.483632 -0.000387739 0.00936595 0.00433412 18
5312 178 H 23.9503 20.6971 14.5126 0.0162915 0.0139431 -0.00596118 18
5313 179 H 22.17 20.7189 14.6837 -0.00556788 0.00483508 0.00235317 18
5314 180 H 22.0927 22.8274 13.3178 -0.00335828 0.00327315 -0.00585927 18
5315 181 H 23.9361 22.6625 13.1706 -0.0046636 0.00199457 0.00405309 18
5316 182 H 23.7596 20.6973 11.8978 0.00140767 -0.00493395 0.0062515 18
5317 183 H 22.0105 20.6143 12.0975 0.00276979 -0.00661449 -0.00308838 18
5318 184 H 21.7329 22.6549 10.805 0.00331388 0.00524138 0.0041268 18
5319 185 H 23.4853 22.8996 10.7477 0.00275741 -0.00327171 0.00481398 18
5320 186 H 23.8783 20.8645 9.43104 -0.00757202 -0.0227828 -0.0066551 18
5321 187 H 22.1705 20.5201 9.40237 0.00628591 0.00517857 -0.00245595 18
5322 188 H 21.6951 22.5832 8.14654 0.0064741 0.0107452 0.0158866 18
5323 189 H 23.4351 23.0505 8.21703 0.00946321 -0.00532605 -0.00683855 18
5324 190 H 24.122 20.9738 7.04834 0.00664524 0.0241214 0.0160881 18
5325 191 H 22.4111 20.5324 6.93979 0.00306362 -0.00490447 0.0026406 18
5326 192 H 21.9479 22.5904 5.56601 -0.000253826 0.00276491 0.0113327 18
5327 193 H 23.5968 23.1096 5.76858 -0.0091916 0.00963512 0.0083325 18
5328 194 H 24.3994 21.2184 4.4111 -0.00388118 -0.0109681 0.00945018 18
5329 195 H 22.8789 20.3752 4.6248 -0.0100423 0.00333877 8.67773e-05 18
5330 196 H 21.7288 22.3016 3.31553 -0.000737201 -0.00267609 -0.0133403 18
5331 197 H 23.3395 22.8591 2.82267 -0.00170532 0.00501004 0.00409587 18
5332 198 H 22.0003 20.1409 2.18152 -0.0047964 0.00272837 -0.00163642 18
5333 199 H 22.2766 21.4642 1.08396 -0.0100362 -0.00300967 0.00412493 18
5334 200 H 24.4852 19.7976 2.47906 -0.000602948 0.0135698 0.00831605 18
5335 201 H 23.963 19.7377 0.765546 -0.00480219 -0.00585853 0.00301329 18
5336 202 H 24.751 21.2004 1.4717 -0.0023115 0.000518108 0.0145094 18
5337 203 H 25.7809 27.9257 15.6643 0.0121793 -0.00124846 0.00567441 18
5338 204 H 26.238 26.2687 16.138 -0.00122902 0.00307457 -0.00253661 18
5339 205 H 26.7474 25.9521 13.9203 0.000286593 0.000656952 -0.000759667 18
5340 206 H 25.0961 25.6727 13.6486 -0.00774418 -0.000675718 0.00696134 18
5341 207 H 24.9188 28.2852 13.2315 -0.00181261 -0.00171992 -0.0071636 18
5342 208 H 26.6474 28.3314 13.4629 -0.0030565 0.00153627 -0.00308196 18
5343 209 H 27.1869 27.6908 11.4033 -0.00442998 0.000927109 -0.00529722 18
5344 210 H 26.0652 26.2842 11.4449 0.000739107 -0.000946353 -0.00523078 18
5345 211 H 24.2313 27.9848 11.0632 0.00566134 -0.0132795 0.00443973 18
5346 212 H 25.4552 29.2199 10.8926 0.00538038 -0.000880612 0.0118826 18
5347 213 H 25.3328 26.7964 9.03342 -0.000976311 -0.0011197 -0.00159844 18
5348 214 H 24.3594 28.2213 8.73656 -0.00864539 -0.00634045 0.00302323 18
5349 215 H 26.6258 29.5386 8.92306 0.00831389 0.00223913 -0.00374366 18
5350 216 H 27.4396 27.9987 8.63469 -0.00447917 -0.00869523 0.000147223 18
5351 217 H 25.3728 29.3876 6.74269 7.77457e-05 -0.00151016 0.0104389 18
5352 218 H 27.1298 29.2644 6.57484 0.00443294 0.000690924 -0.00149415 18
5353 219 H 26.8704 26.7738 6.33434 -0.000921499 0.00389775 -0.0104805 18
5354 220 H 25.156 26.7955 6.65154 0.00351673 0.00123495 0.00706705 18
5355 221 H 25.3971 26.5852 4.29478 0.00296618 0.00105084 -0.00762969 18
5356 222 H 24.7402 28.2493 4.67189 -0.00509995 -0.00347562 0.00756841 18
5357 223 H 27.0218 29.2458 4.31747 0.00395954 0.00325942 -0.000620795 18
5358 224 H 27.661 27.6141 3.9917 -0.00611662 -0.0015912 0.00241527 18
5359 225 H 27.062 29.0095 1.81912 -0.00359297 0.00808045 0.00157665 18
5360 226 H 26.2239 27.4604 1.94555 0.00552372 -0.00170073 0.000585012 18
5361 227 H 25.3502 28.9162 2.34482 6.56462e-05 -0.00401484 0.00746065 18
5362 228 H 14.2776 24.0973 33.2553 0.00907904 0.015077 0.00879649 18
5363 229 H 14.8488 22.422 33.6266 -0.00130316 -0.00376004 -0.00527765 18
5364 230 H 15.4832 23.2182 35.8505 0.00560565 -0.0134118 -0.0244222 18
5365 231 H 15.206 24.895 35.4124 -0.00337129 0.00379895 0.000844071 18
5366 232 H 12.7674 24.5918 35.3364 0.00690971 -0.00213245 -0.0118347 18
5367 233 H 12.9463 22.8626 35.3631 0.00466907 -0.00259106 0.00498166 18
5368 234 H 12.2008 23.7275 37.6249 0.0011758 -0.00808543 -0.0076363 18
5369 235 H 13.5686 22.6733 37.6335 0.0144154 0.00493333 0.00367973 18
5370 236 H 14.8591 25.1321 37.5714 -0.00217168 0.0177612 0.00915938 18
5371 237 H 13.2525 25.5201 38.2958 0.0119845 -0.00237106 0.0219391 18
5372 238 H 15.207 23.4185 39.3579 -0.00880232 -0.00523207 -0.000228468 18
5373 239 H 15.1147 25.0733 39.9816 0.00588074 0.00237728 -0.0120108 18
5374 240 H 12.5423 24.5868 40.3848 0.00123558 -0.000362738 -0.0168456 18
5375 241 H 12.9456 22.886 40.085 -0.00356258 -0.00622027 0.013164 18
5376 242 H 12.9033 23.1586 42.4317 -0.00500542 -0.00605926 -0.0122256 18
5377 243 H 14.5866 22.9322 41.9935 -4.63145e-05 -0.00544012 -0.00325762 18
5378 244 H 14.8663 25.5532 42.2147 -0.010715 -0.00070434 -0.00699443 18
5379 245 H 13.2132 25.5746 42.7304 -0.00660669 -0.00563488 0.0149315 18
5380 246 H 15.4965 24.012 44.1049 -0.00537792 -0.0075759 -0.00029492 18
5381 247 H 14.9103 25.5815 44.5963 -0.00703633 0.00287556 0.0040394 18
5382 248 H 12.6988 24.7202 45.1382 -0.0101641 -0.00844828 0.0116794 18
5383 249 H 13.0699 23.0923 44.5882 -0.00607506 -0.00208958 0.0114329 18
5384 250 H 14.3585 24.5179 46.9705 -0.00107139 -0.00790745 0.019555 18
5385 251 H 13.2091 23.1687 46.9622 -0.00208574 -0.00497821 -0.00637834 18
5386 252 H 14.867 22.8972 46.3731 -0.00330328 0.00157871 0.00555898 18
5387 253 H 21.4221 28.3126 33.9639 0.000337811 -0.00108783 0.00209341 18
5388 254 H 19.6189 28.1993 34.0783 -0.00917854 -0.000282841 0.0206898 18
5389 255 H 19.7517 27.9052 36.3058 -0.0021597 -0.0110217 0.00212491 18
5390 256 H 21.09 26.7466 36.2049 -0.00919708 -0.00569654 -0.00146016 18
5391 257 H 22.6471 28.6694 36.1323 0.00271466 0.00390444 0.0179413 18
5392 258 H 21.3741 29.8129 35.9043 0.00944205 -0.000478813 -0.00109865 18
5393 259 H 22.1607 29.8045 38.2395 -0.00204083 0.00808868 0.0110056 18
5394 260 H 20.442 29.4766 38.1668 -0.00326345 -0.0142722 -0.000809774 18
5395 261 H 20.7417 27.2249 38.8057 0.000535214 0.00122569 0.00243474 18
5396 262 H 22.4162 27.1312 38.2319 -0.00100006 0.00756042 -0.0109222 18
5397 263 H 22.3566 26.9719 40.5697 -0.00255052 -0.00121408 -0.000723035 18
5398 264 H 23.1892 28.4752 40.142 0.00292802 -0.00304583 -0.0111974 18
5399 265 H 21.1289 29.7646 40.5591 -0.00577331 -0.0058493 -0.00794081 18
5400 266 H 20.337 28.2835 41.1197 -0.00401919 0.00752925 0.00844543 18
5401 267 H 22.7991 29.6153 42.3359 -0.00222563 0.0121825 0.00665856 18
5402 268 H 21.1545 29.7895 43.0043 -0.00635144 -0.00577355 -0.00549654 18
5403 269 H 21.1064 27.3556 43.4057 0.0118606 -0.0194992 -0.000776725 18
5404 270 H 22.7719 27.2015 42.823 -0.001247 0.00531468 -0.00842531 18
5405 271 H 22.9652 27.1847 45.1701 0.00224644 -0.00472749 -0.00643202 18
5406 272 H 23.3973 28.8531 44.8066 -0.0153204 0.0181041 0.0115182 18
5407 273 H 20.962 29.4506 45.3329 0.00360318 0.00433752 -0.00225183 18
5408 274 H 20.6277 27.7912 45.7898 0.00193062 -0.000779638 0.00259989 18
5409 275 H 22.3596 27.9493 47.5603 -0.00143215 0.00214502 0.000322729 18
5410 276 H 22.791 29.5967 47.1421 0.00967968 -0.0101673 -0.0100471 18
5411 277 H 21.129 29.2145 47.7689 0.0051343 -0.00115829 0.00747406 18
5412 278 H 21.2207 19.3828 34.0845 -0.00966115 0.00507657 -0.00443633 18
5413 279 H 22.3592 20.6641 34.5724 -8.42975e-05 0.000478397 -0.0126988 18
5414 280 H 19.7917 19.9356 36.1512 0.002492 0.00488791 -0.0017401 18
5415 281 H 20.7678 21.2229 36.6013 -0.00803502 0.00659393 -0.00675492 18
5416 282 H 22.7825 19.662 36.8165 0.00357999 -0.00102285 -0.00444859 18
5417 283 H 21.6888 18.3109 36.3983 -0.00419816 0.00212958 -0.00711493 18
5418 284 H 20.3164 18.8272 38.3878 -0.00704104 0.0131 0.00312672 18
5419 285 H 21.2544 20.2752 38.8146 -0.00489621 0.00117166 -0.00460261 18
5420 286 H 23.3034 18.9203 39.0791 -0.000723405 0.00372523 -0.00591625 18
5421 287 H 22.4061 17.5077 38.5604 -0.00613161 -0.00388287 0.00646365 18
5422 288 H 22.5949 17.3642 40.9436 -0.0112337 -0.00833922 0.00835176 18
5423 289 H 20.8881 17.6345 40.5196 0.000186668 -0.00574505 0.0128534 18
5424 290 H 21.0835 20.1172 41.1949 -0.00276548 -0.0072418 -0.00324505 18
5425 291 H 22.7769 19.8144 41.5774 -0.0033254 0.000671513 0.00330707 18
5426 292 H 21.6784 17.7884 43.0102 -0.000524581 -0.00184539 -0.00411244 18
5427 293 H 20.2847 18.8824 43.0262 -0.00510745 -0.00606314 0.00529966 18
5428 294 H 21.354 20.5548 44.1293 -0.00916167 -0.00397279 0.0205168 18
5429 295 H 22.9733 19.8441 43.8548 0.00139717 -0.00220205 0.00285733 18
5430 296 H 22.1993 17.9023 45.3309 -0.00248823 0.00371798 -0.00598572 18
5431 297 H 20.7536 18.8388 45.7478 -0.00379024 -0.00609022 -0.0104649 18
5432 298 H 22.1337 20.6939 46.5791 0.00826545 0.00490428 0.00481006 18
5433 299 H 23.6247 19.8881 46.0973 0.000290075 2.96489e-06 -0.00798877 18
5434 300 H 22.9978 18.0141 47.7899 0.00088056 -0.00145205 -0.00033673 18
5435 301 H 21.5884 18.974 48.3103 0.0014146 -0.00385551 0.00514176 18
5436 302 H 23.2231 19.604 48.5296 -0.00492764 0.00405851 0.000780999 18
5437 1 C 25.0725 20.602 30.7737 -0.00308246 0.00119832 0.00130578 19
5438 2 C 25.2876 20.4333 29.3987 0.00161294 0.00204997 -0.00742279 19
5439 3 C 24.8663 19.2877 28.7553 -0.00058506 -0.000883133 -0.00114954 19
5440 4 C 24.2144 18.3215 29.5109 -0.00399861 -0.00142299 0.000667737 19
5441 5 C 24.0915 18.3909 30.9185 -0.0017999 0.000943653 -0.000673874 19
5442 6 C 24.5056 19.5834 31.575 0.00484371 -0.000476541 0.000419 19
5443 7 C 19.6042 16.9039 30.6043 -0.00129258 0.00447923 -0.00064855 19
5444 8 C 19.6821 17.0095 29.2322 0.00308285 0.0020524 0.000286653 19
5445 9 C 20.9395 17.0376 28.6069 -0.00154388 0.00264376 0.000124725 19
5446 10 C 22.1049 17.083 29.3826 -0.000821212 0.00302175 0.00071986 19
5447 11 C 21.9962 17.1159 30.8098 0.00156199 -0.00617346 -0.00551159 19
5448 12 C 20.752 17.0165 31.429 -0.0006141 -0.000433041 0.0026076 19
5449 13 C 25.0248 13.6311 31.0365 -0.00246166 -0.00275323 0.0015348 19
5450 14 C 25.0971 13.677 29.6275 4.03987e-05 0.00129146 5.63219e-05 19
5451 15 C 24.647 14.7384 28.9038 0.0015233 -0.00107568 -0.00519741 19
5452 16 C 24.1614 15.865 29.5858 -0.00225537 0.00100577 0.00254207 19
5453 17 C 23.5304 17.0671 28.8592 -0.00126386 -0.00131677 -0.000688266 19
5454 18 O 24.4058 14.7383 33.1192 0.0011621 -0.00061278 -0.0014285 19
5455 19 O 20.6334 17.0741 32.8334 0.000818214 8.33407e-05 -0.00167244 19
5456 20 O 24.4718 19.7262 32.9711 0.00291971 -0.00199609 0.00543875 19
5457 21 C 24.4865 14.7348 31.7466 0.00100453 0.0034611 -0.000774249 19
5458 22 C 23.7556 17.0393 27.4035 -0.000865875 0.00136544 0.00317999 19
5459 23 C 24.1894 17.0698 26.253 -0.000410004 -0.00254681 -0.00141641 19
5460 24 C 24.9828 17.152 25.0291 0.00239004 0.0046889 -0.00327172 19
5461 25 C 25.0318 18.3931 24.3278 -0.00283535 -0.00159155 -0.000445459 19
5462 26 C 25.8691 18.5422 23.1944 -0.00308186 -0.00269769 0.00186524 19
5463 27 C 26.7719 17.5082 22.9016 0.00260478 0.00221898 -0.00301017 19
5464 28 C 26.7575 16.3026 23.6468 -0.0019852 -0.00154926 -0.00292069 19
5465 29 C 25.8476 16.1008 24.6817 -0.000469902 -0.00203402 0.00109941 19
5466 30 C 27.5519 17.5561 21.7045 -0.00149762 -0.00207613 -0.00022261 19
5467 31 C 28.0832 17.5574 20.6052 0.00231647 0.00155387 -0.00181292 19
5468 32 C 27.7247 13.6796 18.6332 0.00333838 -0.00295634 0.00403096 19
5469 33 C 28.0726 13.5771 17.273 -0.00260968 0.000925997 -0.00117107 19
5470 34 C 28.311 14.7161 16.5027 0.00111192 -0.00221269 0.00347477 19
5471 35 C 28.3397 15.9677 17.1498 -0.0033536 -9.41118e-05 0.00543244 19
5472 36 C 28.0651 16.0706 18.5394 -0.00106323 -0.00014871 0.00355799 19
5473 37 C 27.7131 14.917 19.3013 0.00157507 0.00250318 -0.00433963 19
5474 38 C 28.4579 17.4212 19.1694 -0.000429673 -0.00529131 0.000170739 19
5475 39 C 32.3443 17.2692 18.9882 0.00190466 -0.00356615 0.00385026 19
5476 40 C 32.5211 17.3302 17.5919 -0.00435321 0.000756009 -0.00160864 19
5477 41 C 31.385 17.3954 16.758 -0.00141249 -0.00185408 0.00134659 19
5478 42 C 30.1214 17.4583 17.3268 0.000816003 0.00104442 0.00151349 19
5479 43 C 29.937 17.4483 18.7595 -0.00198787 0.00290161 8.08652e-05 19
5480 44 C 31.0864 17.3172 19.5699 -0.00189325 -0.00157185 0.00331903 19
5481 45 C 26.0724 20.2874 18.1355 0.00307688 -0.00561168 0.00758751 19
5482 46 C 26.2065 20.1855 16.7495 -0.000159809 -0.00127476 -0.00127392 19
5483 47 C 27.1069 19.2882 16.1348 0.0053457 0.00234886 -0.00125442 19
5484 48 C 27.8724 18.3914 16.9463 0.00175887 0.003877 -0.000962741 19
5485 49 C 28.8319 17.2611 16.53 -0.00218588 -0.00270827 0.000223148 19
5486 50 C 27.732 18.4793 18.3546 0.000985785 -0.000977976 -0.00248679 19
5487 51 C 26.9153 19.4889 18.9285 -0.0039284 -0.00364791 -0.00371873 19
5488 52 O 31.4887 17.5079 15.3621 -0.00100481 0.000543128 -0.00296207 19
5489 53 O 28.7622 14.6013 15.2235 0.000739707 -0.00139134 -0.00181469 19
5490 54 O 27.1437 19.4676 14.752 0.0025354 0.00144971 0.00290483 19
5491 55 C 23.343 17.1678 31.5178 -0.00067552 0.00143141 0.00411649 19
5492 56 C 24.056 15.8827 31 0.00364464 -0.000452239 1.72484e-05 19
5493 57 C 31.4598 16.4394 14.4079 0.00158448 0.00162381 -2.09955e-05 19
5494 58 C 30.7151 16.9732 13.1854 0.000546332 -0.00130241 0.000828209 19
5495 59 C 31.1963 16.414 11.8227 -0.000111643 0.00211803 0.00357353 19
5496 60 C 30.3675 16.9297 10.6192 0.000995151 0.000901414 0.00213506 19
5497 61 C 30.9521 16.5057 9.23247 0.00286486 -0.0021205 0.000871928 19
5498 62 C 30.0011 17.0177 8.11582 -0.00118987 0.000287548 0.00319144 19
5499 63 C 30.3956 16.4934 6.72324 0.00332261 0.003432 -0.0032378 19
5500 64 C 31.7411 17.0039 6.15078 0.00157502 -0.00420802 -0.00130724 19
5501 65 C 32.0027 16.4913 4.72845 0.00153096 -0.00182081 -0.000516145 19
5502 66 C 31.1139 17.075 3.60734 -0.00380164 0.00143256 -0.00255989 19
5503 67 C 31.7099 16.637 2.26841 -0.00322595 0.00535658 -0.00344256 19
5504 68 C 30.779 16.7985 1.08801 0.00193825 0.00249644 -0.00100532 19
5505 69 F 25.8616 19.6996 22.4607 -0.00291349 0.000180251 0.00618954 19
5506 70 C 28.8862 13.2879 14.5829 -0.00228265 0.00144425 0.00432752 19
5507 71 C 29.4232 13.5652 13.1815 -0.000779037 -0.00120145 0.00328019 19
5508 72 C 29.3829 12.3641 12.2529 0.00384694 -3.89716e-06 -0.00096181 19
5509 73 C 29.5731 12.7277 10.7418 0.0033717 0.00364166 -0.00253533 19
5510 74 C 30.0868 11.6371 9.76582 0.00145679 0.00116446 0.00220203 19
5511 75 C 30.3204 12.2248 8.33976 0.00516392 0.000673543 -0.0012982 19
5512 76 C 30.8216 11.1163 7.41693 0.000443439 -0.000422102 0.000178372 19
5513 77 C 31.1661 11.4896 5.98108 0.000860711 -0.00512643 -0.00113885 19
5514 78 C 29.963 12.0514 5.22552 -0.00307429 -0.00382137 -0.000305018 19
5515 79 C 30.1117 11.8722 3.69576 0.00191474 -0.00046293 -0.00434364 19
5516 80 C 30.8738 13.0241 3.04681 0.00421899 -0.000883177 0.00426094 19
5517 81 C 30.8788 12.8966 1.52953 0.000334053 0.00256335 -0.00212208 19
5518 82 C 27.5901 18.6911 13.6722 0.000400526 -0.00532168 0.000634343 19
5519 83 C 27.0152 19.4552 12.4298 0.00154148 0.00321825 -0.00180405 19
5520 84 C 27.0292 18.7231 11.0537 0.000296536 -0.000340828 0.000990973 19
5521 85 C 26.0594 19.4174 10.0792 0.00291822 -0.00215565 0.00292313 19
5522 86 C 26.1867 19.0367 8.60714 0.00306738 -0.00387658 0.00115034 19
5523 87 C 27.3806 19.7272 7.8876 0.0016592 0.00781579 0.00181128 19
5524 88 C 27.7673 19.2688 6.4645 0.00126986 -0.00130012 -6.30365e-05 19
5525 89 C 26.6781 19.5992 5.46405 0.00264602 0.0020472 -0.00059712 19
5526 90 C 27.2304 19.9093 4.06884 0.000527092 -0.00142399 -0.00495148 19
5527 91 C 27.9952 18.7717 3.35728 0.00405977 -0.000927317 -0.00138566 19
5528 92 C 27.2476 18.2364 2.10499 0.00319579 -0.000422524 -0.00253379 19
5529 93 C 27.0644 19.2138 0.908849 0.00470267 -0.0023612 -0.00208845 19
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5531 95 C 19.3241 17.2553 34.9329 -0.000360993 0.0031329 -0.00420917 19
5532 96 C 17.9214 17.161 35.5451 -0.00256408 -0.00338863 0.00188853 19
5533 97 C 17.8315 17.3692 37.082 0.00268112 0.000926404 -0.00331367 19
5534 98 C 18.6026 16.3172 37.859 0.000316069 4.83745e-05 -0.0058898 19
5535 99 C 18.1547 16.069 39.334 0.00400073 0.00146296 -0.00212336 19
5536 100 C 17.9255 17.4068 40.0649 0.0037932 -0.00166671 0.001265 19
5537 101 C 18.3522 17.3656 41.5425 0.00118165 0.00282971 0.00129256 19
5538 102 C 17.4059 16.7052 42.6159 -0.00503058 0.00228993 0.0010298 19
5539 103 C 17.8551 17.2222 44.0555 0.00311142 0.000962941 0.000279614 19
5540 104 C 16.96 16.8831 45.2517 -0.00610569 -0.00195318 0.00265839 19
5541 105 C 17.4216 17.5869 46.5788 0.00357592 0.00521436 0.00239991 19
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5543 107 C 25.2952 20.6604 35.16 -0.00233929 0.00225178 0.00299929 19
5544 108 C 25.8111 22.0103 35.7229 0.00110043 0.00605594 -0.00356072 19
5545 109 C 25.8721 22.0821 37.2607 0.00105817 0.001443 -0.000449712 19
5546 110 C 24.6651 21.4562 37.934 0.00132705 0.00254324 0.00552698 19
5547 111 C 24.3555 21.9961 39.3461 -0.00303694 8.36175e-05 -0.000886439 19
5548 112 C 25.4022 21.686 40.4521 0.00295666 -3.53295e-05 -0.00300853 19
5549 113 C 24.9062 22.1577 41.8319 0.00367323 0.00124321 0.00760407 19
5550 114 C 25.7256 21.6322 42.9936 0.00165832 0.000395257 0.00259813 19
5551 115 C 25.1403 22.1041 44.3246 0.00157168 0.00236035 -0.00209508 19
5552 116 C 25.8887 21.5293 45.5346 -0.00282832 -0.00303648 -0.0053015 19
5553 117 C 25.2376 21.9154 46.8723 -0.0025017 -0.000231888 0.00198809 19
5554 118 C 24.8442 13.5267 33.826 0.00111405 0.00285859 -0.00100635 19
5555 119 C 25.1403 13.9314 35.2632 -0.0033251 -0.00104226 0.000341148 19
5556 120 C 25.2263 12.7811 36.2488 0.00260222 0.0027221 -0.000359536 19
5557 121 C 25.6905 13.2691 37.6125 0.00675196 0.00297788 -0.000930977 19
5558 122 C 25.7771 12.1959 38.7209 0.00238459 0.000637937 0.000708862 19
5559 123 C 26.2931 12.7433 40.0752 0.00316965 -0.00152599 -0.00258455 19
5560 124 C 25.6253 12.1064 41.3227 0.00161059 -0.00240686 0.00359294 19
5561 125 C 25.9903 12.8527 42.5939 0.00167497 0.000489378 0.00120434 19
5562 126 C 25.3491 12.1917 43.848 -0.00208248 0.00183609 -0.00293022 19
5563 127 C 25.9923 12.6482 45.1766 0.00157065 -0.0037956 -0.000988869 19
5564 128 C 25.4539 11.8873 46.459 0.00168796 -0.000865533 0.00218971 19
5565 129 C 26.3641 11.9957 47.6638 0.00253927 -0.00246143 -0.0011265 19
5566 130 F 24.2405 19.4247 24.7008 0.000443823 -0.000102318 9.23473e-05 19
5567 131 H 25.4269 21.5212 31.2306 -0.00104626 -0.00168278 0.00552957 19
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5573 137 H 25.3306 12.7055 31.5153 0.00545071 0.00508209 0.0116007 19
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5585 149 H 25.5586 20.8063 16.1376 0.00815537 0.00461763 -0.00407619 19
5586 150 H 28.8956 17.1816 15.4377 0.00856527 -0.00688025 0.00117553 19
5587 151 H 26.7886 19.6017 20.0012 0.00618735 4.2884e-05 -0.00292309 19
5588 152 H 23.2995 17.223 32.6125 -0.00143361 0.00616748 0.00384823 19
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5643 207 H 28.0729 18.7748 10.7197 0.000113771 -0.00999135 -0.00105662 19
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5645 209 H 25.0382 19.2073 10.4205 0.00625776 2.67041e-05 0.0142791 19
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5685 249 H 16.943 15.7966 45.4023 0.0128967 -0.00242252 0.00140433 19
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5725 289 H 27.3869 12.6856 40.137 0.00304235 -0.000833832 0.000364526 19
5726 290 H 25.9829 11.0706 41.3759 -0.00076737 -0.00342512 -0.000155452 19
5727 291 H 24.546 11.995 41.1616 0.00410624 -0.00348756 -0.0126415 19
5728 292 H 25.6814 13.9052 42.5861 -0.00533521 -0.00161959 -0.00328838 19
5729 293 H 27.0795 12.9284 42.6995 -0.00032863 -0.00121813 0.0232272 19
5730 294 H 25.5015 11.1071 43.7864 -0.0169779 -0.000244794 -0.00300344 19
5731 295 H 24.2672 12.3619 43.91 -0.00162453 0.00842302 -0.0133319 19
5732 296 H 25.7714 13.7202 45.2514 0.00367136 -0.00324552 -0.00266486 19
5733 297 H 27.0766 12.5173 45.0743 0.0014148 -0.000464111 -0.00693826 19
5734 298 H 25.2441 10.8343 46.2338 0.000839509 -9.47306e-05 -0.000629167 19
5735 299 H 24.4734 12.2849 46.7488 0.00786119 0.00269952 0.0181668 19
5736 300 H 27.3463 11.5282 47.5216 0.00229598 -0.00374571 0.00138399 19
5737 301 H 25.916 11.4572 48.5079 0.0059254 -0.00393153 -0.000263274 19
5738 302 H 26.5338 13.0433 47.9417 3.36692e-05 0.00216547 -0.017041 19
5739 1 C 29.1088 27.3318 31.4843 -0.00255464 -0.00229067 0.00449778 20
5740 2 C 29.3383 27.2591 30.0985 -0.00151106 0.00208616 0.000557792 20
5741 3 C 28.8015 26.1652 29.3805 -0.00213848 -0.00174335 0.0020211 20
5742 4 C 28.1362 25.1375 29.9997 -0.00185746 0.000338203 0.00630391 20
5743 5 C 27.9551 25.211 31.4045 -8.79337e-05 0.00254187 0.000865773 20
5744 6 C 28.4345 26.3203 32.181 0.0050268 -0.00172708 -0.00123595 20
5745 7 C 23.5206 24.0169 30.7553 0.0044772 -0.00114318 0.00414192 20
5746 8 C 23.6787 23.9198 29.3716 -0.00231569 0.00298736 0.0017058 20
5747 9 C 24.9576 23.8263 28.808 0.002584 -0.00477432 0.00025527 20
5748 10 C 26.0745 23.8719 29.677 -0.00236346 0.000362441 -0.00184316 20
5749 11 C 25.8995 23.9534 31.0938 -0.00293231 -0.00318614 0.005406 20
5750 12 C 24.5802 24.0524 31.6577 0.0010502 -0.0019427 -0.000340773 20
5751 13 C 29.0739 20.5298 31.3666 0.00299444 -0.000809736 -0.000870042 20
5752 14 C 29.1142 20.5291 29.9656 0.000119888 -0.00308294 0.00253075 20
5753 15 C 28.6345 21.6345 29.2787 0.000671328 -0.00511499 -0.00270141 20
5754 16 C 28.079 22.7237 29.9702 0.00101907 0.00108402 0.00124958 20
5755 17 C 27.5357 23.9388 29.2502 -0.00157673 0.00286633 0.00243065 20
5756 18 O 28.4421 21.4941 33.4614 0.00318753 0.00127326 -0.00243637 20
5757 19 O 24.3747 24.1088 33.028 -0.00278405 0.00277033 -0.000476164 20
5758 20 O 28.12 26.5479 33.5239 -0.00175319 -0.00295434 0.00180045 20
5759 21 C 28.4457 21.574 32.0994 -0.00458883 -5.46098e-05 0.00178803 20
5760 22 C 27.7744 23.8966 27.7817 -0.002062 0.00254669 -0.00285325 20
5761 23 C 28.2519 23.8985 26.6653 0.00217407 -0.000476841 0.000258712 20
5762 24 C 29.0294 23.9229 25.4885 0.000342946 -0.00277375 0.00589506 20
5763 25 C 30.2591 23.218 25.4731 -0.00289837 0.00283389 0.00328619 20
5764 26 C 31.0782 23.2453 24.3471 0.000972282 0.00260871 0.000167843 20
5765 27 C 30.7357 24.1189 23.2912 -0.00157482 -0.00137093 -0.00168047 20
5766 28 C 29.5123 24.8375 23.2911 -0.000977241 -0.000376608 -0.00340966 20
5767 29 C 28.6564 24.7553 24.4085 -0.00300498 0.000708859 -0.00414556 20
5768 30 C 31.5318 24.105 22.0642 0.00391589 0.00290175 -0.00363703 20
5769 31 C 32.0367 24.1076 20.9743 -0.00347189 0.00120385 -0.00598747 20
5770 32 C 30.3499 20.8881 18.5971 -0.00175623 0.00099196 0.0059862 20
5771 33 C 30.5546 20.9098 17.1791 0.00075705 -0.00245771 -0.00114753 20
5772 34 C 31.2535 21.97 16.6161 0.000413496 -0.00199894 -0.00123257 20
5773 35 C 31.8584 22.9301 17.4289 0.00140524 0.00119826 0.000110589 20
5774 36 C 31.6886 22.8955 18.8281 0.00211933 0.00045617 0.00258865 20
5775 37 C 30.9289 21.8517 19.4322 0.00252846 0.00219466 -0.0044708 20
5776 38 C 32.378 24.0615 19.5641 -0.00175155 -0.00207729 -0.00158557 20
5777 39 C 36.2249 23.9682 19.5002 -0.00153361 0.00345521 -0.00230248 20
5778 40 C 36.4617 24.0075 18.0975 -0.000374147 -0.000549674 0.00016892 20
5779 41 C 35.3662 23.9031 17.2354 -0.0017498 0.00196493 0.0031981 20
5780 42 C 34.0689 23.8617 17.762 -0.00177121 -0.000504367 0.00226983 20
5781 43 C 33.8572 23.8774 19.1452 0.00488721 0.00153487 -0.00433281 20
5782 44 C 34.9437 23.806 20.0301 -0.00105635 -0.00241211 -0.00386744 20
5783 45 C 31.2113 27.6623 18.6497 -0.00348709 -0.00207063 0.000769882 20
5784 46 C 31.6011 27.6971 17.3114 0.000174178 0.00235832 -0.00104855 20
5785 47 C 32.1249 26.5319 16.6976 -0.00401716 0.00460797 4.45169e-05 20
5786 48 C 32.1678 25.3448 17.425 0.00229204 -0.00318464 -0.0017174 20
5787 49 C 32.7838 24.022 16.9098 -0.000754549 0.00643149 0.00297971 20
5788 50 C 31.892 25.3445 18.8213 8.211e-05 0.0013646 -0.00118549 20
5789 51 C 31.3762 26.516 19.4133 0.000619712 0.00167536 -0.000430575 20
5790 52 O 35.5147 24.1921 15.88 -0.00408453 -0.00325173 0.00336004 20
5791 53 O 31.4153 22.0157 15.2411 0.000944951 -0.00193825 -0.00384155 20
5792 54 O 32.5408 26.4901 15.3942 0.00174124 -0.00445884 0.000652102 20
5793 55 C 27.1925 23.953 31.921 0.00390938 -0.00225841 -0.00206511 20
5794 56 C 27.9555 22.7083 31.3657 -0.00239641 0.00223212 0.00249971 20
5795 57 C 36.2759 23.288 15.0804 -0.0031677 0.00128234 0.00441304 20
5796 58 C 35.2679 22.3886 14.2698 -0.0058811 0.00159984 0.00195677 20
5797 59 C 35.098 22.7673 12.791 -0.00174555 0.00125198 -0.00309235 20
5798 60 C 34.0499 23.8458 12.4469 -0.0026169 0.000886506 0.00128215 20
5799 61 C 33.5761 23.7274 10.9961 0.00119445 -0.00246147 0.000583903 20
5800 62 C 34.638 23.6214 9.87032 -0.00229266 0.0049344 0.00289698 20
5801 63 C 33.923 23.5431 8.49514 0.00772506 -0.00370996 0.00130975 20
5802 64 C 34.8697 23.3859 7.32212 -0.00269951 0.000767909 -0.00402788 20
5803 65 C 34.1257 23.3195 5.96266 -0.00371356 -0.000209415 -0.00287072 20
5804 66 C 35.0754 23.2894 4.75007 -0.00217521 -0.00186942 0.00205068 20
5805 67 C 34.229 23.5533 3.47684 0.0019948 -0.00351413 -0.000652751 20
5806 68 C 35.0527 23.4586 2.17882 -0.00522891 0.00195512 -0.00143141 20
5807 69 F 32.1528 22.4211 24.3072 -0.00421976 -0.00111735 0.000692398 20
5808 70 C 30.88 20.9845 14.3741 -0.00177761 -0.00261205 0.00368299 20
5809 71 C 30.8381 21.6151 12.9943 -5.00263e-05 -0.00424045 0.00189164 20
5810 72 C 30.5548 20.6293 11.8891 -0.00141571 -0.00226316 0.00439827 20
5811 73 C 30.0857 21.3407 10.5731 0.00315414 0.00116264 0.00705542 20
5812 74 C 30.8731 20.9316 9.36119 0.00144431 0.00405322 0.0044341 20
5813 75 C 30.3974 21.6447 8.10444 -0.00244561 0.00170867 0.00281968 20
5814 76 C 31.0527 21.0462 6.86687 0.0018162 -0.00260215 0.00346818 20
5815 77 C 30.6337 21.8093 5.66816 0.0018334 0.00374301 0.00281836 20
5816 78 C 31.1751 21.2253 4.34568 -0.0021964 -0.000322876 -0.000670921 20
5817 79 C 30.8504 22.1579 3.19246 0.00123197 0.0021787 -0.000428294 20
5818 80 C 31.4085 21.7769 1.79207 9.06203e-05 -0.00229383 3.18268e-05 20
5819 81 C 30.6697 20.6249 1.16209 0.00323159 -0.00484712 -0.0011682 20
5820 82 C 32.7185 27.6598 14.6365 0.000386472 -0.00220988 -0.000873803 20
5821 83 C 33.0991 27.4045 13.1958 -0.00202714 -0.00551191 0.000815405 20
5822 84 C 33.3912 28.6925 12.3998 0.00319445 -0.00264768 -0.00304423 20
5823 85 C 33.4697 28.4787 10.8816 0.00102436 0.00126962 -0.0032826 20
5824 86 C 34.6473 27.6341 10.3071 0.00270135 -0.00138487 -0.00497505 20
5825 87 C 34.2736 26.9631 8.96687 0.00143293 -0.00137707 4.19483e-05 20
5826 88 C 34.2398 27.9227 7.74855 -0.00255459 0.00239111 0.00184874 20
5827 89 C 33.3263 27.3147 6.65057 0.00173368 0.00180779 0.000252509 20
5828 90 C 33.3871 27.8671 5.22482 -0.0020808 -0.000257315 0.000553737 20
5829 91 C 34.7098 27.3509 4.41708 0.00411638 -0.00031358 -0.00034659 20
5830 92 C 34.5633 27.2687 2.86569 -0.00195684 -0.000962581 -0.00127033 20
5831 93 C 34.6708 28.6626 2.18876 1.94371e-05 0.000247115 -0.00215438 20
5832 94 C 23.1575 23.6596 33.672 -0.00207927 -0.00464611 0.00192805 20
5833 95 C 22.9151 24.2954 35.0255 -0.0010956 0.000374654 -0.000644838 20
5834 96 C 21.9987 23.5466 35.953 0.00231575 0.00149588 -0.00147063 20
5835 97 C 22.0755 24.1177 37.3582 -0.00220585 -0.000790817 0.000146028 20
5836 98 C 21.1344 23.3477 38.3066 0.00127148 0.00240712 0.0034267 20
5837 99 C 20.8815 24.0524 39.643 0.00146852 0.0019093 -0.0012098 20
5838 100 C 21.7425 23.5306 40.8218 0.000219791 -0.00179735 -0.00257312 20
5839 101 C 21.2958 24.2229 42.158 -0.00033507 -0.000155158 0.00415314 20
5840 102 C 22.0354 23.7198 43.4088 -0.00295023 -0.00115858 -0.000585883 20
5841 103 C 21.4759 24.3492 44.6744 -0.000819202 -0.000728557 0.00179787 20
5842 104 C 22.2433 23.8684 45.8986 0.00164397 -0.00208916 -0.000150381 20
5843 105 C 21.8325 24.6196 47.1561 0.00112504 0.00336901 -0.00491494 20
5844 106 C 28.7026 27.6722 34.2971 0.00411051 -0.00109511 -0.000943517 20
5845 107 C 28.3048 27.7202 35.8236 0.00446357 -0.00168463 -0.00146683 20
5846 108 C 29.4604 28.0283 36.7821 -0.000577465 -0.00700553 -0.00364334 20
5847 109 C 29.1367 28.0047 38.2723 -0.00253177 0.00103599 7.66721e-05 20
5848 110 C 30.3905 28.3679 39.0406 -0.00220276 -0.00255532 -0.0041254 20
5849 111 C 30.4641 27.7839 40.4839 0.00078933 0.00200199 -0.000143548 20
5850 112 C 29.3926 28.3285 41.4254 0.00225944 -3.40189e-05 0.00280232 20
5851 113 C 29.3677 27.743 42.8714 0.000423734 -0.00264061 0.00316636 20
5852 114 C 30.3545 28.4152 43.8269 0.00193153 -2.32892e-05 -0.0031447 20
5853 115 C 30.213 27.8125 45.2269 0.0040516 -0.00148196 0.00143011 20
5854 116 C 30.7464 28.6323 46.4206 0.000677972 0.00102395 0.00116685 20
5855 117 C 29.968 29.9194 46.6427 -0.000314771 -0.000404586 0.00017251 20
5856 118 C 29.1202 20.3852 34.1121 0.00100519 -0.00329508 -0.00150951 20
5857 119 C 29.1093 20.4678 35.6379 0.0013035 -0.00299654 -0.00133117 20
5858 120 C 29.611 19.1429 36.2486 -0.00227448 -0.00249598 0.000811036 20
5859 121 C 30.1164 19.2911 37.7006 -0.00393596 0.00318141 -0.00249783 20
5860 122 C 29.1808 19.9455 38.7497 0.00488961 -0.00579513 0.000165843 20
5861 123 C 29.6274 19.3913 40.145 -0.00470345 0.00106678 -0.00327583 20
5862 124 C 28.7902 19.879 41.3549 0.00100485 0.00153793 -0.00530675 20
5863 125 C 29.2899 19.2204 42.6524 -0.00215728 0.00136343 0.00360231 20
5864 126 C 28.6304 19.7347 43.9457 -0.00180815 -0.00206897 0.00391754 20
5865 127 C 29.2776 19.0295 45.1373 0.00218364 -0.00406305 0.0021567 20
5866 128 C 28.8983 19.6145 46.4488 0.000950285 -0.0026503 5.4763e-05 20
5867 129 C 29.6877 19.0408 47.6273 0.00164131 -2.12703e-05 0.00355455 20
5868 130 F 30.5487 22.3898 26.4908 -0.00289255 -0.00349768 -0.00248714 20
5869 131 H 29.4669 28.2116 32.0108 -0.0021636 -0.00132982 0.00262178 20
5870 132 H 29.8688 28.0467 29.5717 0.00798156 -0.00236335 0.00346389 20
5871 133 H 28.9611 26.1223 28.3071 -0.000188445 0.0135489 0.00170671 20
5872 134 H 22.4997 24.0435 31.1249 0.00440406 -0.0117342 0.00470932 20
5873 135 H 22.7886 23.8412 28.7545 -0.00852049 0.0101361 0.00973847 20
5874 136 H 25.0698 23.7271 27.7324 -0.000106147 -0.00718753 0.000196156 20
5875 137 H 29.5045 19.6688 31.8693 -0.00426747 -0.00061829 0.00570156 20
5876 138 H 29.6029 19.71 29.4462 -0.016618 -0.0110253 -0.00065418 20
5877 139 H 28.7039 21.5602 28.1975 0.0158636 -0.00357362 -0.0018357 20
5878 140 H 29.2695 25.5103 22.4738 -0.0085267 -0.00359779 -0.00380884 20
5879 141 H 27.7272 25.3166 24.4379 0.0013175 0.00752402 0.00225247 20
5880 142 H 29.8119 20.0921 19.1034 0.00541991 -0.00673488 0.00146249 20
5881 143 H 30.0486 20.1427 16.6004 -0.0131428 0.00576371 6.57011e-05 20
5882 144 H 30.7874 21.7748 20.5062 -0.0178207 -0.00188969 -0.0074426 20
5883 145 H 37.0515 24.0226 20.2024 0.000648577 -0.00326693 -0.00435172 20
5884 146 H 37.4506 24.1789 17.6826 0.000460818 0.00123203 0.00289652 20
5885 147 H 34.8166 23.7047 21.1039 0.000885621 -0.00196651 -0.0035948 20
5886 148 H 30.791 28.5707 19.0711 -0.00690798 -0.00540865 0.00452946 20
5887 149 H 31.4679 28.6134 16.7439 0.010086 0.000357822 -0.00660967 20
5888 150 H 32.9097 24.0277 15.8201 -0.00308322 -0.0140391 0.00262486 20
5889 151 H 31.1661 26.558 20.4779 -0.00863784 0.0176765 -0.00289668 20
5890 152 H 27.0407 23.8691 33.0042 0.00205533 -0.00478219 -0.00251764 20
5891 153 H 36.9337 23.8643 14.4182 0.000814445 -0.0126609 -0.00374754 20
5892 154 H 36.931 22.6458 15.682 0.010474 -0.000926939 -0.0127308 20
5893 155 H 34.2866 22.4321 14.7581 -0.0102471 0.00409505 -0.00703325 20
5894 156 H 35.6323 21.3542 14.2456 -0.000491691 0.00355137 -0.000638722 20
5895 157 H 34.8141 21.825 12.3064 -0.00055566 -0.00255339 0.00358182 20
5896 158 H 36.054 23.0834 12.3557 -0.00499098 -0.0058069 -0.0153566 20
5897 159 H 34.4639 24.8584 12.5291 -0.0106834 0.00471726 -0.00507448 20
5898 160 H 33.1874 23.7797 13.1215 -0.00254429 6.24528e-05 0.00129471 20
5899 161 H 32.9845 24.6244 10.7752 -0.00698046 -0.0095786 -0.00650332 20
5900 162 H 32.853 22.9116 10.8733 0.000894584 -0.00131485 -0.00534885 20
5901 163 H 35.209 22.6929 9.9939 0.0102824 0.0142164 0.0144951 20
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5903 165 H 33.2903 24.4308 8.37304 0.006619 -0.00703061 -0.0168802 20
5904 166 H 33.2292 22.6937 8.51852 0.00140528 0.00119045 -0.00862404 20
5905 167 H 35.4885 22.493 7.47457 -0.0108196 -0.00448874 -0.00186725 20
5906 168 H 35.5321 24.2603 7.31767 0.00208373 -0.00284839 -0.0024909 20
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5908 170 H 33.4727 22.4391 5.92208 0.00216173 -0.00496688 0.00584604 20
5909 171 H 35.604 22.3293 4.70166 0.00255298 0.000529687 0.00597493 20
5910 172 H 35.8561 24.0432 4.91042 -0.0129866 0.0101179 -0.00183409 20
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5912 174 H 33.3881 22.8529 3.40215 3.39944e-06 -0.00127817 0.000777941 20
5913 175 H 34.4064 23.7647 1.34701 0.00232024 0.00435466 -0.00641834 20
5914 176 H 35.404 22.4506 1.92582 -0.00453429 -0.00167024 0.0140945 20
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5924 186 H 31.9236 21.2214 9.48679 0.00573594 -0.0165814 0.0158373 20
5925 187 H 30.8014 19.8465 9.21652 -0.00701878 0.00426308 0.00705173 20
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5944 206 H 32.27 26.8709 12.7149 -0.000536084 -0.00873127 0.00182168 20
5945 207 H 32.5622 29.3934 12.5579 0.00577421 0.000883212 -0.00520689 20
5946 208 H 34.3377 29.1079 12.7672 -0.000233171 -0.00629031 0.00991144 20
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5948 210 H 33.5065 29.4549 10.3825 0.00851944 0.00504558 0.00466526 20
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5950 212 H 34.8235 26.8251 11.0267 -0.00612191 0.0181736 0.0192129 20
5951 213 H 35.0224 26.1822 8.78583 -0.00129164 -0.00718678 0.0137384 20
5952 214 H 33.2936 26.4788 9.05872 0.00428066 -0.00504384 0.010968 20
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6042 2 C 33.2147 20.1708 29.1343 0.00135759 -0.00292566 0.00213255 21
6043 3 C 32.6265 19.0797 28.5207 0.00441447 -0.00203336 -0.000762096 21
6044 4 C 31.9242 18.1254 29.27 0.00234897 -0.00105495 -0.000400481 21
6045 5 C 31.7893 18.2833 30.6774 0.00124646 0.0018861 0.0013482 21
6046 6 C 32.4035 19.367 31.34 0.00184099 -0.00046399 -0.00121662 21
6047 7 C 27.2464 17.1163 30.2683 0.00484818 -0.00144775 0.00202162 21
6048 8 C 27.3758 17.0485 28.8811 -0.000242986 -0.00346673 0.00219135 21
6049 9 C 28.6661 17.0225 28.3334 -0.00111459 -0.00301771 0.00142937 21
6050 10 C 29.7863 17.0276 29.1728 -0.00194816 -0.0016766 0.00136447 21
6051 11 C 29.6231 17.1538 30.5794 0.001384 8.54509e-05 0.000105458 21
6052 12 C 28.3586 17.1564 31.1464 -0.000275485 0.00276538 -0.000891327 21
6053 13 C 32.7684 13.7321 31.1088 0.00197537 -0.000309065 0.00361055 21
6054 14 C 32.938 13.6732 29.72 -0.00241346 -0.00215631 0.000533863 21
6055 15 C 32.3877 14.6771 28.8705 -0.00128223 0.00276275 0.00082538 21
6056 16 C 31.724 15.7706 29.4414 -0.00055152 0.000201167 -0.00121854 21
6057 17 C 31.2006 16.9139 28.6649 -0.00119806 -0.000826762 -0.000266041 21
6058 18 O 31.9761 14.9004 33.0718 -1.948e-05 0.00251569 0.00147842 21
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6060 20 O 32.3097 19.5379 32.731 -0.00131925 -0.00391596 -0.000606569 21
6061 21 C 32.134 14.8504 31.6902 -0.000646599 -0.00243888 0.000713732 21
6062 22 C 31.3926 16.7999 27.2232 0.00237352 -0.000429007 0.00112042 21
6063 23 C 31.768 16.7652 26.0649 -0.000710686 0.00375085 0.000497003 21
6064 24 C 32.574 16.8388 24.9308 -0.00171241 0.00141217 0.001773 21
6065 25 C 33.4177 15.742 24.6323 0.00143096 -0.00228553 0.0027473 21
6066 26 C 34.481 15.8963 23.7284 -0.00302416 0.00324558 0.00371531 21
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6069 29 C 32.8293 18.1297 24.401 -0.00173474 -0.000675136 0.00113392 21
6070 30 C 35.5568 17.2695 22.0423 -0.00361498 0.00117479 -0.00403164 21
6071 31 C 36.1117 17.2974 20.9687 0.00363467 0.000713065 0.00160044 21
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6078 38 C 36.3826 17.2172 19.5218 -0.00211501 -0.00327345 0.00230713 21
6079 39 C 40.224 17.2158 19.1692 0.00209272 0.00144688 0.00195921 21
6080 40 C 40.3223 17.3209 17.7607 2.70671e-05 0.00247378 0.000472505 21
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6082 42 C 37.9424 17.2541 17.6181 -0.000280123 0.0014845 -0.000515672 21
6083 43 C 37.8479 17.2196 19.0308 -0.000629204 0.000512725 -0.000322643 21
6084 44 C 39.0024 17.1383 19.8231 0.000228733 -0.00296244 -0.00297898 21
6085 45 C 34.4234 20.4495 18.6044 0.00395453 0.000577688 0.00376021 21
6086 46 C 34.5854 20.4297 17.2335 0.00110268 -0.00127425 0.00112081 21
6087 47 C 35.2978 19.4013 16.6248 0.000164003 -0.00294586 0.000520153 21
6088 48 C 35.8335 18.3661 17.4225 0.000835355 -0.00122746 -0.00230639 21
6089 49 C 36.626 17.1541 16.8915 -0.00553159 0.00369147 0.00290511 21
6090 50 C 35.7037 18.3916 18.8159 0.00107483 0.00320412 0.00097897 21
6091 51 C 35.0271 19.4637 19.4223 -0.00139809 -0.0026523 0.0050107 21
6092 52 O 39.2647 17.6942 15.6318 -0.00281029 -0.000366693 0.000294487 21
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6094 54 O 35.2987 19.3047 15.2423 -0.00241273 0.000715006 0.00216618 21
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6099 59 C 39.1861 17.5036 12.3039 -0.000557391 0.000365434 -0.00235269 21
6100 60 C 38.489 17.4192 10.9475 0.00740812 0.00144351 -0.00321424 21
6101 61 C 38.1949 15.9669 10.4811 3.75291e-05 -0.000553338 -0.00019699 21
6102 62 C 37.5166 15.7885 9.10411 -7.47695e-05 0.00440612 -0.00509841 21
6103 63 C 38.2808 16.4791 7.92145 -0.000438078 0.00359342 0.00323469 21
6104 64 C 37.6575 16.1247 6.54169 0.00357097 6.50198e-05 0.000968496 21
6105 65 C 38.2399 16.9594 5.34929 0.00237137 0.00352113 -0.000379686 21
6106 66 C 37.7509 16.3905 3.98772 -0.00290948 -0.000503272 0.00487022 21
6107 67 C 38.4567 17.1236 2.81575 -0.000557216 0.00205924 0.00402723 21
6108 68 C 38.0173 16.6483 1.42456 0.00227421 0.00174819 -0.0056617 21
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6110 70 C 36.6943 13.7335 14.9168 -0.00121055 0.00340835 -0.0024178 21
6111 71 C 36.5058 13.5088 13.4153 -0.00153481 0.00327146 0.00268164 21
6112 72 C 37.6959 12.8474 12.7487 0.0020824 -0.00368316 -0.00439934 21
6113 73 C 37.456 12.5533 11.2418 0.00106848 -0.00247 0.00454962 21
6114 74 C 38.4824 11.6065 10.6554 -0.000255122 -0.00516708 -0.00385553 21
6115 75 C 38.1287 10.9384 9.28797 -0.00173947 -0.00079284 -0.00362601 21
6116 76 C 38.2239 11.9232 8.07081 0.00225158 -0.00256327 -0.00294176 21
6117 77 C 38.084 11.2106 6.71611 0.000106201 0.00333343 -0.00102139 21
6118 78 C 38.4019 12.0886 5.54207 0.00167345 0.00460665 0.00338344 21
6119 79 C 38.2305 11.4128 4.15288 -0.000558991 0.0033633 -0.000241501 21
6120 80 C 38.9304 12.2578 3.08651 -0.00127369 -6.35824e-05 0.000919251 21
6121 81 C 38.8808 11.6569 1.68928 -0.00329543 -0.000861633 0.00145066 21
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6123 83 C 33.9679 18.8882 13.2407 1.20308e-05 0.00259429 -0.000292851 21
6124 84 C 35.0449 18.1844 12.3355 -0.00154051 0.00214606 -0.00105336 21
6125 85 C 34.6921 18.1567 10.8419 -0.00139268 0.00155313 -0.00316314 21
6126 86 C 34.3692 19.5307 10.2508 -0.000915985 -0.000805849 0.00426171 21
6127 87 C 33.8785 19.56 8.79836 -0.00543492 -0.00203994 0.000852133 21
6128 88 C 34.7418 18.8464 7.73084 -0.00210406 -0.00208081 -0.00377059 21
6129 89 C 34.4184 19.5014 6.36282 -0.00389915 -0.000706004 0.00276816 21
6130 90 C 35.0691 18.8315 5.12191 0.00128998 0.0022728 0.00544163 21
6131 91 C 34.4081 19.3667 3.81935 0.000828421 0.00306837 0.00165045 21
6132 92 C 35.053 18.7034 2.55815 -0.00232907 0.000173529 -0.000764004 21
6133 93 C 34.4527 19.2113 1.28759 0.00251163 0.00170174 0.00328246 21
6134 94 C 26.7571 17.1536 33.0704 -0.00426462 0.00532036 -9.79202e-05 21
6135 95 C 26.7272 17.2842 34.5827 -0.00207709 0.00173019 -0.00190832 21
6136 96 C 25.3192 17.2778 35.2108 0.00111327 -0.000519839 -0.00175562 21
6137 97 C 25.2226 17.1811 36.7964 -0.00201677 0.000371607 -0.00202197 21
6138 98 C 26.4694 17.6436 37.65 -0.000449155 0.00344698 -0.00250752 21
6139 99 C 26.2584 17.7767 39.1921 -0.00211283 -0.000620498 -0.000182234 21
6140 100 C 25.3625 16.7091 39.8442 -0.00154265 0.00356855 -0.00186063 21
6141 101 C 25.4829 16.5375 41.3558 0.00029179 0.00103302 0.00623444 21
6142 102 C 25.4213 17.846 42.2038 2.32892e-05 -0.00256616 0.000704316 21
6143 103 C 24.8266 17.6459 43.6294 -0.00106481 0.00254012 -0.00111937 21
6144 104 C 25.6999 16.8229 44.6395 0.00200587 0.000525371 0.00509954 21
6145 105 C 25.1243 16.8759 46.0645 -0.00407001 0.000862455 0.00380373 21
6146 106 C 33.1384 20.5449 33.3099 0.00523752 0.000531008 -0.00678579 21
6147 107 C 32.9422 20.6262 34.8204 -0.00109378 0.000130374 0.000691947 21
6148 108 C 33.4357 21.9955 35.4176 0.0024096 0.00236831 0.000151486 21
6149 109 C 32.8481 22.2196 36.8522 5.55643e-05 -0.000485314 -0.00198398 21
6150 110 C 33.5075 21.4596 38.0241 0.000332935 0.000293336 0.00369616 21
6151 111 C 32.7442 21.7484 39.3348 0.00146514 -0.00141814 0.000799609 21
6152 112 C 33.5716 21.3032 40.5531 0.000862144 -0.00312407 0.00054021 21
6153 113 C 32.7473 21.5534 41.8476 -0.00161011 -0.00300442 0.00226582 21
6154 114 C 33.5279 21.2489 43.1977 -0.000645427 0.00335429 -0.00355577 21
6155 115 C 32.6946 21.6401 44.4415 -0.00560083 0.00103961 -0.00247405 21
6156 116 C 33.5186 21.8285 45.742 0.000396591 0.000798445 0.000168843 21
6157 117 C 33.7171 20.5358 46.5442 -0.00406534 -0.00247535 -0.000406066 21
6158 118 C 32.0579 13.8017 33.9892 0.000827118 0.00495521 -0.000649855 21
6159 119 C 33.4924 13.3478 34.336 -0.00217214 -0.000362719 0.00187291 21
6160 120 C 33.7477 12.5998 35.651 -0.00085156 -0.003513 -0.00119432 21
6161 121 C 33.043 13.1803 36.8802 -0.000327043 0.00104654 -0.000212327 21
6162 122 C 33.7075 12.6607 38.1881 -0.00403758 8.05636e-06 -0.00184035 21
6163 123 C 32.9167 13.1444 39.4109 0.00266691 -0.000426411 0.00323429 21
6164 124 C 33.5363 12.7177 40.7542 -0.000584667 -0.000905363 -0.000781215 21
6165 125 C 32.5724 12.94 41.9312 -0.00430429 -0.00490538 0.000161366 21
6166 126 C 33.3525 12.7628 43.2652 0.000753163 -0.00117821 -0.000216039 21
6167 127 C 32.5257 13.023 44.5704 0.00136129 -0.00455243 0.00408111 21
6168 128 C 33.2001 12.5818 45.8864 -0.00505805 -0.000477483 -0.000213672 21
6169 129 C 32.2639 12.6941 47.1234 0.00631651 0.00198795 -0.000157002 21
6170 130 F 33.2366 14.5548 25.2471 -0.000543382 -0.000746828 0.00147484 21
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6180 140 H 34.0909 19.2727 23.0941 0.00470967 0.000267746 0.00361707 21
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6182 142 H 34.4623 12.9162 19.3825 -0.00188627 0.00481335 0.00577795 21
6183 143 H 34.6829 12.8183 16.8779 0.00125257 0.00507959 -0.0119647 21
6184 144 H 35.1851 14.8648 20.6489 -0.00346649 -0.00515141 0.00136722 21
6185 145 H 41.1409 17.2387 19.7507 -0.000618957 0.00540528 0.00607464 21
6186 146 H 41.2863 17.4381 17.2746 0.000179613 -0.00199055 -0.000293901 21
6187 147 H 38.9357 17.056 20.9039 -0.0101821 0.00385394 -0.00309725 21
6188 148 H 33.7875 21.1946 19.0735 -0.00477327 -0.000787347 -0.00589181 21
6189 149 H 34.1326 21.2182 16.6397 -0.000901419 -0.00137027 0.00252306 21
6190 150 H 36.6825 17.1336 15.7962 0.0239025 -0.00227324 0.00456088 21
6191 151 H 34.9716 19.566 20.502 0.0107657 -0.0122616 0.00655382 21
6192 152 H 30.8687 17.2138 32.4266 -0.0087766 -0.00449051 0.000293437 21
6193 153 H 40.0797 16.2987 14.2782 -0.0019818 -0.00343236 -0.00671078 21
6194 154 H 38.5745 15.8083 15.1048 -0.0043729 -0.00925996 -0.0214322 21
6195 155 H 37.6221 17.9735 13.7622 0.0173028 0.00898888 0.00857706 21
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6197 157 H 40.0905 16.8832 12.2819 -0.00121388 -0.000774851 0.00271404 21
6198 158 H 39.5468 18.5292 12.4501 -0.00282392 0.00209476 -0.00886701 21
6199 159 H 39.1129 17.9124 10.192 0.00964922 -0.00296018 -0.00423456 21
6200 160 H 37.5651 18.0095 10.9855 0.00335844 -0.00506573 -0.000826537 21
6201 161 H 37.5046 15.4897 11.1876 0.0147745 -0.00619896 0.0103829 21
6202 162 H 39.0809 15.3207 10.5112 0.00224929 0.00332431 0.0179619 21
6203 163 H 36.4719 16.1125 9.18853 -0.000935552 0.00388966 -0.0138649 21
6204 164 H 37.4284 14.7343 8.81385 0.0095588 0.0051748 -0.0108439 21
6205 165 H 39.3364 16.1831 7.88268 -0.00131968 0.000662991 0.00153737 21
6206 166 H 38.2726 17.5635 8.08684 0.00360568 0.00559352 -0.00972037 21
6207 167 H 36.5808 16.328 6.59317 0.00463952 0.00444167 0.00609844 21
6208 168 H 37.7617 15.0419 6.39992 0.00347041 -0.00124275 0.0107876 21
6209 169 H 39.3368 16.9539 5.33617 0.00229689 -0.0022534 -0.00473191 21
6210 170 H 37.8927 17.9969 5.4306 -0.0281274 -0.00711539 0.00591807 21
6211 171 H 36.6622 16.4514 3.86792 -0.00241631 0.011752 0.00671299 21
6212 172 H 37.9987 15.3236 3.92568 -0.00435569 -0.000945334 0.00670778 21
6213 173 H 39.5517 17.0926 2.87545 0.000820499 0.00551313 -0.0189896 21
6214 174 H 38.2054 18.1895 2.88047 -0.00364488 0.00204056 -0.00759323 21
6215 175 H 36.9837 16.9278 1.18567 -0.00620259 -0.0112605 0.0159823 21
6216 176 H 38.1661 15.5705 1.28514 0.00488219 0.00318338 -0.0140254 21
6217 177 H 38.6353 17.1602 0.67655 -0.00797458 0.000641942 -0.0148922 21
6218 178 H 37.7263 14.0792 15.0548 0.00185861 -0.00811283 0.00363614 21
6219 179 H 36.6449 12.7754 15.4487 0.0160041 0.00137139 -0.00444325 21
6220 180 H 35.673 12.7954 13.3857 0.00822991 -0.00796065 -0.00128917 21
6221 181 H 36.215 14.4396 12.9128 -0.0115369 0.00141396 0.00501494 21
6222 182 H 38.4748 13.6198 12.7487 0.00327027 -0.00487102 -0.0121929 21
6223 183 H 38.0075 11.9423 13.2844 0.00990387 -0.00166821 -0.00554596 21
6224 184 H 36.5069 12.0102 11.1543 0.00494082 -0.00750358 -0.00627379 21
6225 185 H 37.3097 13.4368 10.6082 -0.00242053 -0.00721525 -0.00128161 21
6226 186 H 39.4773 12.0618 10.5753 -0.00667172 0.00737598 -0.0120031 21
6227 187 H 38.607 10.7833 11.3697 0.0158049 0.0132765 0.0145869 21
6228 188 H 38.8522 10.1345 9.10418 -0.00908391 -0.00601629 -0.00966481 21
6229 189 H 37.1492 10.4697 9.44382 -0.00303539 0.00810256 0.0153134 21
6230 190 H 37.4348 12.6826 8.13504 -0.00670729 -0.0116654 -0.00508852 21
6231 191 H 39.2245 12.3724 8.08834 0.00219321 -0.00256718 0.000388533 21
6232 192 H 38.7262 10.3228 6.66293 -0.0210421 -0.0132696 0.0206492 21
6233 193 H 37.0746 10.8067 6.56971 0.00126068 -0.000196588 0.000736777 21
6234 194 H 37.8998 13.0568 5.66036 -0.0080696 0.00197808 -0.0169941 21
6235 195 H 39.4652 12.3527 5.59747 0.00193268 0.00199716 0.0105923 21
6236 196 H 38.6379 10.3943 4.14251 -0.000135029 0.00359658 -0.00677699 21
6237 197 H 37.1662 11.3317 3.89948 -0.00177114 -0.0178463 0.011681 21
6238 198 H 38.4484 13.2382 2.98678 -0.0113337 -0.00497642 0.00112381 21
6239 199 H 39.9827 12.3585 3.37964 0.000584998 -0.00775614 -0.00307333 21
6240 200 H 37.8781 11.2985 1.4256 -0.000349499 -0.0127015 0.00634039 21
6241 201 H 39.1734 12.4354 0.973879 -0.00710048 0.00545504 0.00676215 21
6242 202 H 39.6074 10.8364 1.63997 -0.00181926 0.00140773 -0.0143027 21
6243 203 H 34.3263 17.5282 14.9159 -0.0121771 -0.00231267 -0.00398938 21
6244 204 H 33.2633 18.9561 15.2506 -0.00245652 0.00283695 -0.00687758 21
6245 205 H 32.9706 18.5367 12.9489 0.00644092 -0.00678021 -0.0109891 21
6246 206 H 33.9708 19.9761 13.0999 0.000499145 0.00369161 0.00818268 21
6247 207 H 36.0023 18.6819 12.5336 0.00339925 -0.00785075 0.000215339 21
6248 208 H 35.2019 17.1316 12.6006 0.00329014 0.00391235 0.00308513 21
6249 209 H 35.5278 17.6751 10.3194 0.00302857 -0.00748011 0.0121769 21
6250 210 H 33.8852 17.4313 10.6806 0.00889519 -0.0131315 0.0110666 21
6251 211 H 33.5918 20.0292 10.8429 -0.00459296 -0.00124238 -0.000193163 21
6252 212 H 35.2511 20.182 10.2884 0.00535553 -0.00927075 0.00368206 21
6253 213 H 32.9061 19.0667 8.67818 -0.00750907 0.00389022 -0.00682393 21
6254 214 H 33.7193 20.6033 8.4991 -0.0207676 -0.00467033 -0.000233376 21
6255 215 H 35.8058 19.006 7.9451 -0.00343207 0.00927735 -0.00560176 21
6256 216 H 34.5757 17.762 7.73302 -0.0191515 0.000536287 -0.0063267 21
6257 217 H 33.3304 19.5135 6.22336 -0.00391954 -0.00443082 0.00262319 21
6258 218 H 34.7148 20.5576 6.35523 0.0116688 -0.0051129 -0.00239559 21
6259 219 H 36.1417 19.0607 5.09912 0.00436897 -0.0129447 -0.00316988 21
6260 220 H 34.9852 17.7385 5.08119 -0.00668101 0.0032594 -0.00526761 21
6261 221 H 33.3346 19.1449 3.7771 -0.000752603 0.0090769 0.01047 21
6262 222 H 34.4097 20.462 3.75797 0.00583201 0.00290029 -0.0010264 21
6263 223 H 36.0982 19.0366 2.54753 -4.69136e-05 -0.00707228 -0.00137554 21
6264 224 H 34.9621 17.6106 2.58584 0.00952909 -0.00132596 -0.0213731 21
6265 225 H 34.8741 20.2115 1.12804 -0.000777019 0.00324394 0.00429908 21
6266 226 H 34.8075 18.6034 0.44622 0.00582598 -0.009399 0.012711 21
6267 227 H 33.3574 19.2677 1.26129 0.00273849 0.000396496 -0.00968648 21
6268 228 H 26.1435 17.9261 32.5905 0.0040923 0.00943041 -0.00418785 21
6269 229 H 26.3459 16.188 32.7512 0.0187104 -0.00663 0.00647306 21
6270 230 H 27.4001 16.5324 35.0133 -0.00129226 -0.000859998 -0.0076666 21
6271 231 H 27.2244 18.2287 34.8359 -0.0113607 0.0103399 -0.0158981 21
6272 232 H 24.7368 18.1485 34.8849 0.000276824 -0.0113457 -0.0292184 21
6273 233 H 24.6374 16.5241 34.7979 0.0146599 -0.00723913 -0.0117191 21
6274 234 H 24.3317 17.7121 37.1537 -0.00267624 -0.00382673 0.00260759 21
6275 235 H 24.9358 16.1545 37.0555 -0.00136441 0.00511077 0.0174503 21
6276 236 H 27.2153 16.8606 37.4655 -0.00188913 0.000403268 0.0045945 21
6277 237 H 26.8617 18.584 37.2436 -0.00755917 0.00615418 -0.00310779 21
6278 238 H 27.224 17.7025 39.7073 -0.00248696 -0.000605966 0.00052303 21
6279 239 H 25.8263 18.7544 39.4387 -0.00465545 0.000691318 -0.00987635 21
6280 240 H 24.33 16.9626 39.5739 0.00135839 0.00740932 -0.00938272 21
6281 241 H 25.5241 15.7197 39.3988 0.00267798 0.00116083 0.00501685 21
6282 242 H 24.6381 15.9084 41.6622 0.00438934 -0.00273969 0.00974558 21
6283 243 H 26.445 16.0386 41.5257 -0.00352221 -0.0140226 -0.0162262 21
6284 244 H 26.4492 18.2123 42.3166 0.00349321 -0.00975682 -0.00750332 21
6285 245 H 24.8804 18.5783 41.5918 -0.00315606 -0.000653591 0.00583659 21
6286 246 H 24.7986 18.6139 44.1448 0.00516779 0.00108178 0.00200033 21
6287 247 H 23.8067 17.2454 43.5772 -0.00131754 0.00333927 -0.00231005 21
6288 248 H 25.7206 15.7868 44.2794 -0.0151438 -0.00214509 0.0117708 21
6289 249 H 26.7354 17.1768 44.7151 -0.00071332 0.00753332 0.00951361 21
6290 250 H 25.0451 17.905 46.4363 -0.0029158 -0.00548426 0.0215967 21
6291 251 H 24.1544 16.3665 46.1215 -0.00607618 0.00305101 -0.0108929 21
6292 252 H 25.8018 16.2915 46.6992 0.00270827 -0.00352388 -0.00743751 21
6293 253 H 34.1791 20.3188 33.0468 0.00710204 -0.00257351 0.00328875 21
6294 254 H 32.8396 21.5133 32.8899 0.00286782 0.00717993 0.0102203 21
6295 255 H 31.8782 20.5094 35.0604 -0.000940148 0.00395094 0.00325625 21
6296 256 H 33.5621 19.8776 35.329 0.000792072 0.00133552 0.000176915 21
6297 257 H 34.5318 22.0377 35.4051 0.00255594 -0.000526003 0.00302567 21
6298 258 H 33.1592 22.8095 34.7361 0.00650744 -0.00113856 -0.00571247 21
6299 259 H 32.8639 23.29 37.0921 -0.00158335 -0.00219487 0.00577837 21
6300 260 H 31.7913 21.9261 36.8695 0.00190056 -0.00741695 -0.00715432 21
6301 261 H 33.4544 20.3817 37.8272 0.00152476 0.00177958 -0.0047638 21
6302 262 H 34.5721 21.7223 38.0579 -0.0012285 0.0069855 0.000791703 21
6303 263 H 32.5263 22.8232 39.3617 0.00237521 -0.000804595 -0.0151939 21
6304 264 H 31.816 21.1642 39.359 0.00215453 -0.00227209 0.00702802 21
6305 265 H 33.9053 20.2668 40.4187 -0.00213565 -0.00344774 -0.00444953 21
6306 266 H 34.4575 21.9501 40.5641 -0.00466417 0.00457474 -0.00549054 21
6307 267 H 32.389 22.5898 41.8775 0.00273205 -0.00159334 0.00529007 21
6308 268 H 31.8013 20.9985 41.825 0.00012223 -0.00545373 -0.00960143 21
6309 269 H 33.797 20.1855 43.213 -0.00714244 0.00165892 -0.00657712 21
6310 270 H 34.4525 21.8391 43.1914 0.00198305 -0.000791148 -0.00559724 21
6311 271 H 32.1984 22.5841 44.1846 -0.00524962 0.0035573 0.00613251 21
6312 272 H 31.8995 20.9207 44.6735 -0.0117318 0.0129756 0.0136722 21
6313 273 H 34.4962 22.245 45.4692 0.000208223 0.00546785 0.006688 21
6314 274 H 32.9259 22.5324 46.3392 0.000623244 -0.00413734 0.00620008 21
6315 275 H 34.2904 19.7761 45.9987 0.00947048 0.00458902 0.00393984 21
6316 276 H 34.2976 20.743 47.4516 -0.00896112 0.00216587 0.00166356 21
6317 277 H 32.7528 20.1311 46.8755 -0.00189349 -0.00659893 0.000882502 21
6318 278 H 31.6193 14.1304 34.9395 -0.00543005 -0.00474221 -0.000201297 21
6319 279 H 31.5527 12.9457 33.5251 0.0212184 -0.00831223 0.00151758 21
6320 280 H 34.1363 14.2261 34.2038 0.000490673 -0.00386831 -0.00851239 21
6321 281 H 33.7641 12.6291 33.553 0.00368629 0.00170656 0.00202238 21
6322 282 H 34.8199 12.4755 35.8468 -1.65585e-05 0.00120916 -0.00279382 21
6323 283 H 33.4379 11.5561 35.5168 0.00538411 -0.00463867 -0.00689655 21
6324 284 H 31.9745 12.9403 36.8156 0.000507306 -0.003558 0.00321414 21
6325 285 H 33.1129 14.2747 36.8547 -0.00762671 0.00161589 0.00418073 21
6326 286 H 34.7573 12.9697 38.264 -0.00214727 -0.00649518 -0.00154364 21
6327 287 H 33.6305 11.567 38.2236 -0.00125946 -3.2548e-05 0.00287937 21
6328 288 H 31.9039 12.739 39.2951 0.00236914 -0.00120861 0.0086439 21
6329 289 H 32.8172 14.2368 39.3976 0.0110589 0.00040065 0.00832129 21
6330 290 H 34.4947 13.2296 40.9051 0.000782826 -0.00291214 -0.00262798 21
6331 291 H 33.8178 11.6576 40.7352 0.00853736 0.00167703 -0.00996103 21
6332 292 H 31.7539 12.214 41.8513 -0.00243513 -0.00728001 0.00257581 21
6333 293 H 32.1664 13.9591 41.9244 0.0159777 0.00320363 0.00287003 21
6334 294 H 34.2464 13.3985 43.2506 0.00429811 -0.00643946 -0.0130241 21
6335 295 H 33.7376 11.7359 43.289 -0.00427081 -0.00310362 -0.00190359 21
6336 296 H 31.5555 12.5165 44.4958 -0.00404921 0.00514162 0.0087031 21
6337 297 H 32.3576 14.0975 44.7139 0.0081761 -0.00212818 -0.00617288 21
6338 298 H 34.1246 13.1489 46.0511 -0.00346794 -0.00251792 -0.00210263 21
6339 299 H 33.5171 11.5319 45.8635 -0.00258549 0.000163766 0.00415808 21
6340 300 H 32.7119 12.1393 47.9569 0.0229873 0.000118644 -0.0103418 21
6341 301 H 31.2687 12.2694 46.9427 0.00715075 -0.00503715 0.0117572 21
6342 302 H 32.0832 13.7341 47.422 -0.00490236 0.0017389 -0.00602293 21
6343 1 C 36.8942 27.0036 31.0414 -0.00337726 -0.00155121 0.000562371 22
6344 2 C 37.1231 26.8639 29.6597 0.00396563 -0.000810117 -0.000770636 22
6345 3 C 36.6388 25.7228 28.9867 0.000164873 -0.00114673 0.001313 22
6346 4 C 35.9304 24.702 29.7123 -0.00352413 -0.00690429 0.00374794 22
6347 5 C 35.7528 24.8515 31.1272 -0.00301048 0.00209326 0.00188022 22
6348 6 C 36.1978 26.0449 31.7753 -0.00365862 0.00151824 -0.00163361 22
6349 7 C 31.3458 24.0668 30.4703 0.00095927 0.00266224 -0.00191298 22
6350 8 C 31.533 23.9601 29.1086 -0.00068614 0.00140618 -0.0014948 22
6351 9 C 32.8086 23.689 28.626 -0.00147568 0.000864726 -0.000551499 22
6352 10 C 33.8716 23.5634 29.5133 -0.000732305 0.00267534 0.00180922 22
6353 11 C 33.6749 23.7158 30.9185 -0.000533784 -0.00196893 -0.00115242 22
6354 12 C 32.3985 23.9316 31.3895 8.04356e-05 0.00200292 -0.00224623 22
6355 13 C 37.0741 20.4142 31.5939 0.00241965 0.00502346 0.00272263 22
6356 14 C 37.165 20.2744 30.2112 0.00325911 0.000266169 -0.000509496 22
6357 15 C 36.5608 21.1978 29.3747 -0.00198951 -0.0018798 -0.000960003 22
6358 16 C 35.8646 22.2549 29.9559 -0.00220939 0.00185298 0.00466727 22
6359 17 C 35.3202 23.4211 29.1153 0.0038099 -0.000441785 -0.00559052 22
6360 18 O 36.3039 21.4691 33.6347 0.00619193 0.00299972 0.00170093 22
6361 19 O 32.1748 23.9308 32.7812 -0.000446847 -0.000772343 -0.000896329 22
6362 20 O 35.8365 26.2427 33.0777 -0.00283456 -0.00310044 0.00110962 22
6363 21 C 36.3258 21.4112 32.2262 -0.000988571 -3.47105e-05 0.00676639 22
6364 22 C 35.6157 23.3389 27.6991 0.00209114 -0.00280947 -0.00194722 22
6365 23 C 36.1556 23.3407 26.6141 -0.00121884 0.00173573 0.00052052 22
6366 24 C 36.9316 23.3587 25.4132 1.3434e-05 0.00171743 -0.0023592 22
6367 25 C 37.9331 22.3995 25.1597 0.00329135 -0.00140833 -0.00193464 22
6368 26 C 38.7646 22.5131 24.036 -0.000472111 -0.00132146 0.000789284 22
6369 27 C 38.6713 23.6291 23.213 -0.00319101 -0.0026168 -0.000868948 22
6370 28 C 37.7213 24.6512 23.5144 -0.00288217 0.0014954 0.00196443 22
6371 29 C 36.838 24.4968 24.5994 0.00293294 -0.00339339 -0.00149669 22
6372 30 C 39.4752 23.7382 22.0446 0.00143069 -0.00106883 -0.00297409 22
6373 31 C 39.9539 23.7784 20.9268 -0.000459501 0.00383664 0.00107235 22
6374 32 C 38.284 20.6469 18.4376 -0.00296418 -0.000640665 0.000940266 22
6375 33 C 38.4754 20.7396 17.0558 0.000481209 0.000276033 -0.00499226 22
6376 34 C 39.1833 21.8141 16.4841 0.00220811 -0.00530891 0.0035844 22
6377 35 C 39.744 22.7699 17.3488 0.00177142 -0.000723382 -0.00202539 22
6378 36 C 39.5329 22.7 18.7413 0.00547816 -0.00380448 0.00311153 22
6379 37 C 38.8394 21.6148 19.2915 -0.000151949 -0.00144759 0.00378174 22
6380 38 C 40.2353 23.8656 19.4899 -0.00429635 -0.00212331 -0.00196852 22
6381 39 C 44.1209 23.8479 19.3543 -0.000376482 0.00624916 0.000582858 22
6382 40 C 44.2747 23.9591 17.9589 0.000566052 0.00116236 6.13794e-05 22
6383 41 C 43.1625 23.9287 17.1223 0.00381915 0.00177074 0.00223055 22
6384 42 C 41.8813 23.8097 17.653 0.000106257 0.00213317 0.000299484 22
6385 43 C 41.7283 23.7544 19.0778 -0.000228307 -0.000138056 -0.00174132 22
6386 44 C 42.8541 23.7857 19.9149 -0.00327781 -0.000712288 -0.00148595 22
6387 45 C 38.5734 27.2608 18.7895 -0.000481464 0.00180869 -0.00169509 22
6388 46 C 38.7484 27.3491 17.4288 -0.00127852 -0.00150591 0.00118642 22
6389 47 C 39.4367 26.3549 16.7381 0.000492898 0.000185797 0.0017022 22
6390 48 C 39.8833 25.2006 17.3922 -0.00169162 -0.00129391 -0.00111055 22
6391 49 C 40.5326 23.9181 16.8513 -0.00213921 -0.00148163 0.00644103 22
6392 50 C 39.7181 25.1695 18.8169 0.00166415 0.00284881 0.000191611 22
6393 51 C 39.137 26.2298 19.5467 0.00116235 -0.00560758 0.0016797 22
6394 52 O 43.3579 24.1679 15.8111 -0.00186371 0.00730127 0.00252399 22
6395 53 O 39.3085 21.8756 15.121 0.00135115 0.00298738 0.0039765 22
6396 54 O 39.5761 26.6344 15.3878 -0.00220175 0.00129971 -0.00212272 22
6397 55 C 34.947 23.6984 31.7445 0.000986263 -0.00207189 -0.000844926 22
6398 56 C 35.7139 22.398 31.3919 -0.00479301 -0.00200898 0.00328278 22
6399 57 C 43.8317 23.2073 14.8723 0.000422678 -0.00340109 -0.00549279 22
6400 58 C 42.7048 23.0952 13.8049 0.000774028 0.00100526 -0.00333033 22
6401 59 C 43.1662 22.6578 12.4015 -0.00403175 -0.0016618 -0.00188235 22
6402 60 C 42.0893 23.003 11.3408 -0.00451378 0.000436246 0.00343169 22
6403 61 C 42.4224 22.7158 9.87108 0.000646474 -0.00172621 0.00264517 22
6404 62 C 43.1674 23.8699 9.20818 -0.000290808 -0.000824624 -0.000779025 22
6405 63 C 42.5805 24.4493 7.88324 0.000271677 0.0015801 0.00450479 22
6406 64 C 42.7568 23.4026 6.75536 -0.00217898 0.00175184 -0.00495787 22
6407 65 C 42.5587 24.0575 5.34089 -9.04354e-07 0.00292678 -0.00117863 22
6408 66 C 42.6528 23.0514 4.19284 -0.00107995 -0.00180888 -0.000104822 22
6409 67 C 42.3974 23.6435 2.80091 -0.000346772 0.000175206 0.000460107 22
6410 68 C 43.3416 24.8087 2.44296 -0.000716519 0.00101168 -0.00167325 22
6411 69 F 39.6576 21.5356 23.7982 0.000915572 0.0044567 0.000369934 22
6412 70 C 38.6781 20.9665 14.1962 0.000221205 0.0028441 0.00187605 22
6413 71 C 39.1218 21.3456 12.7915 -0.000826338 -0.00318713 -0.000339687 22
6414 72 C 38.1566 20.8651 11.6822 -0.00210062 0.0013559 -0.00225508 22
6415 73 C 38.8159 20.8598 10.3037 0.00498295 -0.000365704 -0.0014197 22
6416 74 C 37.8114 20.4443 9.24298 0.000870395 -0.00161592 -0.00771888 22
6417 75 C 38.412 20.2718 7.85725 -0.000715272 -0.00336635 -0.00196274 22
6418 76 C 38.5263 21.5852 6.99529 -0.000601482 0.00120124 0.000181987 22
6419 77 C 38.4772 21.3005 5.49654 0.00342357 0.00253087 -7.18248e-05 22
6420 78 C 38.6046 22.5714 4.62624 -0.000232497 0.00190322 -0.000353043 22
6421 79 C 38.3936 22.2633 3.12357 -0.00173627 -0.00293868 -0.0018308 22
6422 80 C 39.3034 21.2127 2.52508 0.000370224 -0.00171114 -0.00220037 22
6423 81 C 38.9089 20.8418 1.08482 0.000676655 0.00125987 -0.00272788 22
6424 82 C 40.5874 26.1105 14.4944 0.00633777 -0.00346777 0.000733571 22
6425 83 C 40.8069 27.2128 13.4211 -0.0024542 0.00478963 -0.000461461 22
6426 84 C 41.3499 26.7312 12.0786 0.00352096 -0.00297677 0.000179473 22
6427 85 C 41.4478 27.92 11.1102 0.00228693 0.000577833 0.00187689 22
6428 86 C 41.8919 27.5621 9.70002 0.00194092 -4.77896e-06 -0.000982647 22
6429 87 C 42.3698 28.7802 8.87021 0.00372574 -0.00331488 -0.00286171 22
6430 88 C 42.8355 28.4376 7.45092 -5.85174e-05 0.00286446 -0.00050671 22
6431 89 C 41.8161 27.7654 6.47943 -0.00133589 -0.00365553 -0.000920906 22
6432 90 C 42.3245 27.5839 5.0014 -0.00318967 -0.000989784 0.000648048 22
6433 91 C 42.3857 28.8869 4.15889 0.00125951 0.00665523 -0.000971189 22
6434 92 C 42.7614 28.7402 2.67424 0.000273099 -0.000855113 -0.000286828 22
6435 93 C 41.7038 28.0312 1.85801 -0.0013994 0.00316303 -0.000478255 22
6436 94 C 30.7985 23.8948 33.1953 -0.000776186 -0.00238876 -0.0105047 22
6437 95 C 30.6512 23.7038 34.7323 0.00241886 -0.00184204 -0.000951239 22
6438 96 C 29.388 24.423 35.2735 0.00204652 -0.00286818 -0.00052648 22
6439 97 C 28.8133 23.9306 36.5983 0.00144773 0.00164292 -0.000812743 22
6440 98 C 29.6768 24.0841 37.822 0.00116105 -0.00350325 0.00419531 22
6441 99 C 28.8749 23.8712 39.1233 -0.000967313 -0.000323387 0.00057511 22
6442 100 C 29.7465 23.6022 40.339 0.00292889 -0.00519278 0.00189893 22
6443 101 C 28.9913 23.8269 41.6731 0.00291006 0.00426764 0.00117377 22
6444 102 C 29.8673 23.5813 42.9052 -0.00110706 0.000494153 0.000791249 22
6445 103 C 29.1307 23.9264 44.2143 0.000760158 0.00220399 0.00204401 22
6446 104 C 30.0168 23.7126 45.4352 -0.00161997 -0.00320957 -0.00019751 22
6447 105 C 29.3537 24.181 46.7193 -0.000741858 0.00271983 0.0042081 22
6448 106 C 35.7418 27.5332 33.7519 -0.00376734 -0.000223747 -9.04417e-05 22
6449 107 C 37.1075 28.0542 34.1561 -0.00310498 -0.0019994 0.00116652 22
6450 108 C 37.272 28.984 35.4089 -0.00114474 -0.0049479 -0.000993034 22
6451 109 C 36.8002 28.3368 36.7065 0.00154112 0.0015144 0.00166362 22
6452 110 C 37.4418 28.8088 38.0357 -0.00127304 -5.97894e-05 0.00346742 22
6453 111 C 36.9897 28.0066 39.2941 0.00256335 2.20437e-05 -0.00323493 22
6454 112 C 37.9487 28.2048 40.4394 0.00519457 -0.00213823 0.00178745 22
6455 113 C 37.5145 27.4956 41.7572 -0.000616147 -0.00129034 0.000449158 22
6456 114 C 36.516 28.3301 42.5858 0.00154213 -0.00126684 -0.0015122 22
6457 115 C 36.6419 28.0142 44.0952 -0.00207644 0.0061962 0.00325834 22
6458 116 C 37.9616 28.4993 44.6268 0.00300233 -0.00032438 0.00119284 22
6459 117 C 37.9341 28.4111 46.1877 -0.0025686 -0.00301697 0.000496872 22
6460 118 C 36.8337 20.3803 34.4126 -0.00263956 -0.00247956 -0.00256252 22
6461 119 C 36.7005 20.5365 35.9616 -0.000469009 0.00192514 -0.00178188 22
6462 120 C 37.3021 19.2966 36.712 -0.00124424 0.00311437 -0.00462904 22
6463 121 C 37.8998 19.6107 38.1187 -0.00191051 -0.00377352 0.000575688 22
6464 122 C 36.8505 19.6216 39.2369 0.00158341 -0.00136581 -0.000518279 22
6465 123 C 37.5572 19.6949 40.6212 0.00500291 0.00323074 0.000392534 22
6466 124 C 36.6252 19.4322 41.8395 0.00357052 0.005549 0.000154429 22
6467 125 C 37.4051 19.3694 43.1694 0.00219505 -0.00607353 0.000987905 22
6468 126 C 36.4822 19.1923 44.3581 0.00229467 -0.000228836 0.00396599 22
6469 127 C 37.2315 18.9615 45.7055 -0.000633818 -0.00281226 0.000458567 22
6470 128 C 37.8439 20.2146 46.3574 0.000450473 0.00200194 0.00208176 22
6471 129 C 38.5275 19.7996 47.6805 -0.00258025 0.00203922 0.00292136 22
6472 130 F 38.0861 21.2952 25.9161 -0.000542934 -0.000347975 0.000259128 22
6473 131 H 37.2518 27.9086 31.5235 0.0140228 -0.00694109 -0.00221774 22
6474 132 H 37.603 27.6872 29.1389 0.00800434 -0.0034308 -0.00117839 22
6475 133 H 36.7916 25.6053 27.918 0.00360709 -0.000546751 0.00174294 22
6476 134 H 30.3402 24.2776 30.8221 0.00103508 -0.0175851 0.0104428 22
6477 135 H 30.6851 24.0818 28.4411 -0.00308273 0.0108255 0.00326778 22
6478 136 H 33.0441 23.6915 27.5658 -0.00363785 -0.00441676 -0.00103287 22
6479 137 H 37.6256 19.6823 32.1766 0.00287879 0.0103813 0.00902193 22
6480 138 H 37.7017 19.4409 29.7679 -0.00374109 -0.00429546 -0.000422452 22
6481 139 H 36.686 21.0282 28.3093 -0.0168785 0.0183585 -0.00586938 22
6482 140 H 37.6537 25.5132 22.8574 -0.0113604 -0.00242966 -0.00232226 22
6483 141 H 36.2072 25.3201 24.9213 0.00908573 0.000459884 0.000754556 22
6484 142 H 37.7911 19.784 18.8755 0.00646725 -0.0096567 -0.00617822 22
6485 143 H 38.0352 19.95 16.4541 -0.00249398 0.0032035 -0.0066558 22
6486 144 H 38.668 21.5198 20.3597 0.00570862 0.00432409 0.00522927 22
6487 145 H 44.9738 23.9387 20.0203 -0.0133339 0.00220913 0.017746 22
6488 146 H 45.2595 24.0925 17.521 0.00374807 -0.00151844 0.00638585 22
6489 147 H 42.759 23.8622 20.994 -9.11387e-05 -0.00258264 -0.00107256 22
6490 148 H 38.0759 28.0376 19.3626 -0.00656098 -0.00915339 0.00793586 22
6491 149 H 38.3719 28.1675 16.8224 -0.00840026 -0.0078563 -0.00298512 22
6492 150 H 40.7621 23.8379 15.7815 0.004292 -0.000183891 0.00770534 22
6493 151 H 39.0149 26.2261 20.6258 -0.00526237 -0.00408993 0.000961929 22
6494 152 H 34.7861 23.7914 32.8256 0.00215698 0.00326896 -0.00113284 22
6495 153 H 44.7525 23.5963 14.4204 -0.00697003 0.0190932 -0.00114837 22
6496 154 H 44.12 22.2307 15.2804 -0.00179587 -0.00294418 -0.00285588 22
6497 155 H 42.2857 24.1013 13.6803 -0.00739754 -0.000866866 0.00913497 22
6498 156 H 41.9014 22.4371 14.1582 0.00114321 0.00029681 -0.00380984 22
6499 157 H 43.3463 21.5765 12.4418 -0.00968829 -0.00308006 -0.0148468 22
6500 158 H 44.1022 23.1298 12.078 -0.00884365 0.00815165 -0.00148496 22
6501 159 H 41.6684 24.0102 11.45 -0.00522799 0.00157121 -0.00980423 22
6502 160 H 41.1712 22.45 11.5745 -0.00583495 -0.0032928 -0.0106202 22
6503 161 H 41.4987 22.4888 9.3247 0.000180116 -0.00634196 0.00534121 22
6504 162 H 43.018 21.7987 9.78339 -0.0112651 -0.00911063 -0.00118153 22
6505 163 H 44.2095 23.5599 9.06199 0.00324149 0.00552121 0.0109382 22
6506 164 H 43.1703 24.7004 9.92481 0.00666669 -0.00371579 0.00253342 22
6507 165 H 43.1618 25.3425 7.62325 0.000718072 0.000309542 0.00113278 22
6508 166 H 41.5295 24.7451 7.98964 0.00332575 0.0147618 -0.00197921 22
6509 167 H 42.0589 22.5782 6.94671 0.00787873 -0.00911193 -0.0150999 22
6510 168 H 43.7728 22.9935 6.81728 -0.00111124 0.00580756 0.00441107 22
6511 169 H 43.3302 24.8251 5.2036 0.00129293 0.00250615 0.00374052 22
6512 170 H 41.5789 24.5469 5.27931 0.00015446 0.00335663 -0.000224637 22
6513 171 H 41.9136 22.2579 4.35816 0.00426115 -0.00605343 0.00343159 22
6514 172 H 43.6193 22.5326 4.20463 -0.00647013 -0.0120103 -0.0058626 22
6515 173 H 41.3416 23.909 2.66567 -0.00214803 -0.00209584 0.0100666 22
6516 174 H 42.6052 22.8179 2.10914 -0.00468857 -0.0129007 0.0147329 22
6517 175 H 44.4047 24.5448 2.503 0.000276989 0.00282755 -0.0110843 22
6518 176 H 43.2087 25.6914 3.08063 0.00484609 0.00598881 -0.00738093 22
6519 177 H 43.1951 25.1633 1.41524 0.00888091 0.0021672 -0.00265402 22
6520 178 H 38.9635 19.9318 14.423 -0.0089556 -0.000951571 -0.00389688 22
6521 179 H 37.5863 21.035 14.2779 0.000562142 0.00350736 0.0058843 22
6522 180 H 39.2295 22.4323 12.6868 -0.000204369 -0.0037024 -0.00511098 22
6523 181 H 40.1076 20.8852 12.6516 0.00443699 0.0112852 -0.0108364 22
6524 182 H 37.75 19.8717 11.9084 0.00478374 -0.00745438 -0.0284964 22
6525 183 H 37.2939 21.5425 11.6963 -0.0108876 -0.0101294 0.0131215 22
6526 184 H 39.2369 21.8533 10.1058 0.0077166 0.000444775 0.00839889 22
6527 185 H 39.6618 20.1649 10.3746 -0.00946604 -0.0171678 0.00632622 22
6528 186 H 37.2313 19.5553 9.51971 -0.00827239 0.00997144 0.0103853 22
6529 187 H 37.079 21.2535 9.13263 0.00349552 0.00130167 -0.00372172 22
6530 188 H 39.4011 19.8 7.90698 0.00499273 0.0100363 0.0116852 22
6531 189 H 37.7573 19.5652 7.33219 0.00691412 -0.0136291 0.00232654 22
6532 190 H 37.7037 22.2495 7.28758 -0.00186908 -0.000876637 0.00135211 22
6533 191 H 39.4639 22.0925 7.25399 -0.00935467 0.0183757 -0.00181682 22
6534 192 H 39.3055 20.6048 5.31449 -0.000352241 -0.00207974 0.000378454 22
6535 193 H 37.5348 20.8201 5.20574 0.0121766 -0.00739405 -0.0120605 22
6536 194 H 37.895 23.3386 4.95986 0.0132571 0.0170365 -0.00642089 22
6537 195 H 39.592 23.0282 4.76633 -0.00380701 0.00673935 0.00908856 22
6538 196 H 37.3517 21.9405 3.00653 -0.00305801 0.00154885 -0.00243538 22
6539 197 H 38.5575 23.1955 2.56899 -0.001049 -0.00655827 -0.00769801 22
6540 198 H 40.3509 21.5368 2.55762 -0.00101147 0.0036989 -0.0121116 22
6541 199 H 39.2998 20.3286 3.17452 -0.00742619 -0.0047294 -0.00638553 22
6542 200 H 39.573 20.0513 0.714025 -0.00414496 -0.00728919 0.00689791 22
6543 201 H 37.8602 20.5224 1.04363 0.00282851 -0.00694227 0.00623835 22
6544 202 H 39.0313 21.6871 0.396439 0.00232923 0.00718721 0.00485691 22
6545 203 H 41.4934 25.8134 15.037 0.0153171 -0.0033248 -0.0142222 22
6546 204 H 40.1641 25.2297 13.996 0.00278352 -0.00468751 0.00590538 22
6547 205 H 39.8426 27.6945 13.2176 -0.003325 0.00756586 0.0102187 22
6548 206 H 41.4415 28.034 13.7766 0.0091184 -0.00661672 0.0051752 22
6549 207 H 42.3606 26.3271 12.2148 0.0117025 0.0148353 -0.00756332 22
6550 208 H 40.7362 25.8956 11.7202 -0.00514642 0.00586383 -0.00552468 22
6551 209 H 40.4638 28.3973 11.025 0.00863547 0.014403 0.0060816 22
6552 210 H 42.1194 28.6611 11.561 0.00633043 -0.000863909 -0.00179225 22
6553 211 H 42.7117 26.8355 9.75931 0.0138979 0.0129471 -0.00754596 22
6554 212 H 41.0711 27.0783 9.1563 -0.00634227 0.00785835 0.00453963 22
6555 213 H 41.5766 29.5265 8.73923 0.00224656 -0.00717126 -0.0162038 22
6556 214 H 43.2584 29.1331 9.40802 0.0110987 -0.0123697 -0.00903149 22
6557 215 H 43.1213 29.3776 6.9629 0.00407083 0.00223453 0.000711404 22
6558 216 H 43.7298 27.8308 7.63908 -0.0010962 0.0053185 0.0125546 22
6559 217 H 41.4263 26.8331 6.90649 0.00933664 -0.00139166 0.0137751 22
6560 218 H 40.96 28.4505 6.44547 0.000831331 -0.000981796 -0.0017106 22
6561 219 H 43.3289 27.1485 5.0723 -0.0105519 -0.0162366 0.011392 22
6562 220 H 41.646 26.8555 4.54037 0.00336902 -0.00693415 0.000396544 22
6563 221 H 41.3915 29.3491 4.19689 0.00317642 0.0100762 0.00738303 22
6564 222 H 43.0977 29.5446 4.67268 -0.0125926 0.0140532 0.00877198 22
6565 223 H 42.8905 29.7274 2.21352 -0.00389011 0.0042398 0.00947976 22
6566 224 H 43.711 28.1972 2.59241 -0.00169645 -0.00380739 -0.00353489 22
6567 225 H 40.738 28.5442 1.94439 -0.00132213 0.00280264 0.00254811 22
6568 226 H 42.0011 28.0427 0.802114 0.00567129 0.00977372 0.00156772 22
6569 227 H 41.5671 27.0158 2.24995 -0.0014361 6.34601e-05 -0.00856611 22
6570 228 H 30.2808 24.8356 32.9712 0.000722861 -0.000209925 -0.00487276 22
6571 229 H 30.3175 23.0762 32.6458 0.000447896 -0.00150819 -0.0128942 22
6572 230 H 30.5975 22.6188 34.8851 -0.00571632 3.4787e-05 0.00953345 22
6573 231 H 31.5097 24.0834 35.3 -0.00176759 0.00181575 0.00294444 22
6574 232 H 29.6728 25.4763 35.3865 0.00058296 -0.00253599 6.12123e-05 22
6575 233 H 28.5937 24.3629 34.5192 -0.00439582 0.0106187 0.00518554 22
6576 234 H 27.9249 24.5569 36.7466 -0.00350761 -0.00762708 0.0085478 22
6577 235 H 28.4622 22.8918 36.5646 0.000791631 0.00172244 0.00340088 22
6578 236 H 30.4456 23.302 37.796 0.00205925 -0.00182059 -0.0191943 22
6579 237 H 30.136 25.0804 37.8254 -0.011024 0.00210551 0.00762967 22
6580 238 H 28.2364 24.7471 39.2922 0.00208878 0.00339255 -0.00715411 22
6581 239 H 28.216 23.0014 39.011 -0.0088625 0.00709439 -0.0104585 22
6582 240 H 30.0816 22.5619 40.2447 0.00136703 -0.00584509 0.00355335 22
6583 241 H 30.618 24.2611 40.2397 -0.00515914 0.00527077 0.000263165 22
6584 242 H 28.5691 24.8391 41.6967 -0.0109251 -0.00170466 0.0104597 22
6585 243 H 28.1231 23.1568 41.7004 0.0097476 -0.0047064 -0.00172001 22
6586 244 H 30.1752 22.53 42.9633 0.0137698 0.00478703 -0.000192738 22
6587 245 H 30.8006 24.1555 42.8528 0.000823964 -0.00175839 0.0101749 22
6588 246 H 28.836 24.972 44.0619 0.00322016 0.00189972 -0.00499441 22
6589 247 H 28.248 23.2776 44.2715 -0.00343906 0.00803501 0.00320237 22
6590 248 H 30.3303 22.6646 45.5175 0.00244881 -0.00230047 -0.00399343 22
6591 249 H 30.9784 24.2384 45.3877 -0.00519171 0.00241251 -0.00964101 22
6592 250 H 28.4118 23.6662 46.9455 -0.000682996 -0.00492384 -0.0130331 22
6593 251 H 30.0622 24.0074 47.5386 0.0076887 -0.014503 -0.00669365 22
6594 252 H 29.1508 25.252 46.5956 -0.000832752 -0.00063336 -0.0251325 22
6595 253 H 35.1577 28.2756 33.1942 0.00459912 0.010104 0.00489188 22
6596 254 H 35.2183 27.2952 34.6861 -0.00657581 -0.00412656 -0.00265313 22
6597 255 H 37.7242 27.1555 34.2802 -0.00924699 -0.00599792 0.0028505 22
6598 256 H 37.5201 28.636 33.3226 0.00764543 0.00423876 0.0108462 22
6599 257 H 38.3145 29.2962 35.5475 -0.002187 -0.00088461 -0.00227185 22
6600 258 H 36.8284 29.9664 35.2052 0.00764729 -0.00290871 -0.0104273 22
6601 259 H 35.7118 28.4671 36.7501 0.00244043 0.00297954 0.0193943 22
6602 260 H 36.9586 27.2559 36.6063 -0.00689016 -0.000512366 0.0102063 22
6603 261 H 38.5317 28.7098 37.9606 -0.000567777 0.00894498 0.00190831 22
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6605 263 H 35.9678 28.2896 39.5752 0.00520201 -0.0200196 0.0264691 22
6606 264 H 36.9748 26.9361 39.055 -0.020519 0.000134909 -0.0022767 22
6607 265 H 38.9005 27.7568 40.1284 0.010888 0.00801225 0.00465232 22
6608 266 H 38.0877 29.273 40.647 -0.0105225 0.00348094 -0.016623 22
6609 267 H 37.081 26.5075 41.5593 -0.00122918 8.24748e-05 -0.00506757 22
6610 268 H 38.4416 27.3443 42.3238 -0.00398151 -0.00113187 0.00599804 22
6611 269 H 36.658 29.3998 42.388 0.0113926 -0.00545417 -0.017165 22
6612 270 H 35.5062 28.0629 42.2507 -0.00138016 0.0017165 0.00492237 22
6613 271 H 35.8142 28.4445 44.6723 -0.00906118 -0.00859669 0.00431074 22
6614 272 H 36.5555 26.9374 44.2865 0.00771883 0.00219628 -0.0150105 22
6615 273 H 38.7934 27.8516 44.3236 0.00854539 0.00535661 0.00425439 22
6616 274 H 38.1489 29.541 44.3382 0.0142753 -0.00132727 0.00488596 22
6617 275 H 37.9526 27.3426 46.4354 0.00796445 -0.00113126 0.00777916 22
6618 276 H 38.8447 28.8845 46.575 -0.000415141 -0.00269581 -0.00493576 22
6619 277 H 37.0437 28.8371 46.6665 0.0108814 0.00689679 0.0166913 22
6620 278 H 36.3003 19.4713 34.1082 0.0174782 -0.0144392 -0.00207411 22
6621 279 H 37.891 20.2244 34.1653 -0.00212267 -0.010616 0.00476498 22
6622 280 H 35.6822 20.6791 36.344 0.000855125 0.00293983 0.00137652 22
6623 281 H 37.3063 21.4034 36.2529 0.00349372 0.0026204 -0.0120839 22
6624 282 H 38.1537 18.8614 36.1746 0.00110977 0.0157197 -0.0110783 22
6625 283 H 36.5481 18.5086 36.8298 0.00684569 -0.0057019 -0.011883 22
6626 284 H 38.4503 20.5586 38.077 -0.0210887 0.00762231 0.00678657 22
6627 285 H 38.6487 18.8522 38.3778 0.0082451 0.00972669 0.0107937 22
6628 286 H 36.2399 18.7142 39.1527 -0.0079164 0.0051032 -0.00142657 22
6629 287 H 36.1493 20.4601 39.1441 0.00741136 0.00285826 -0.00630532 22
6630 288 H 38.0961 20.6422 40.7462 0.00186509 0.00712465 -0.0157086 22
6631 289 H 38.3425 18.9296 40.6536 -0.00480514 -0.00756171 -0.017087 22
6632 290 H 36.1064 18.4805 41.6707 -0.00417211 0.00911926 0.00385531 22
6633 291 H 35.8512 20.2067 41.9064 0.00971678 0.0119254 -0.00261471 22
6634 292 H 37.9142 20.3334 43.2914 -0.00427489 -0.00260163 0.000636728 22
6635 293 H 38.1381 18.5609 43.0574 -0.0050371 -0.0154512 0.0217985 22
6636 294 H 35.8319 18.3296 44.1674 -0.0110035 0.00979037 0.00397544 22
6637 295 H 35.8377 20.0746 44.4562 0.00333109 -0.000562533 0.0138519 22
6638 296 H 38.0185 18.2223 45.5116 0.00170394 -0.000750963 0.00211309 22
6639 297 H 36.5316 18.5702 46.4542 0.00112079 -0.00336374 0.0018112 22
6640 298 H 37.0493 20.9448 46.5542 -0.0161701 -0.0149422 -0.00211856 22
6641 299 H 38.5621 20.6888 45.6771 0.00130938 0.0126441 0.0103924 22
6642 300 H 38.851 20.705 48.2087 0.00587349 -0.000733259 0.00245421 22
6643 301 H 39.328 19.0771 47.4791 0.00342132 0.00806253 0.00523127 22
6644 302 H 37.795 19.3801 48.381 -0.00131656 0.0043078 0.00561056 22
6645 1 C 40.8993 20.3372 31.0596 0.00361107 0.00165972 0.00341369 23
6646 2 C 41.1169 20.2131 29.6753 0.000157762 -0.00227365 0.00382615 23
6647 3 C 40.6223 19.1219 29.0166 0.00373104 -0.00408286 -0.00103576 23
6648 4 C 39.932 18.1266 29.683 -0.00218081 -0.00421399 0.00241153 23
6649 5 C 39.7485 18.2284 31.0779 -0.00206578 -0.00360083 -0.00250786 23
6650 6 C 40.2078 19.3463 31.8086 -5.14998e-05 0.00114954 -0.000792213 23
6651 7 C 35.2702 17.1322 30.489 -0.00128576 0.00325999 -0.0023475 23
6652 8 C 35.4692 17.0044 29.0989 -0.00107963 0.000292162 -0.000156038 23
6653 9 C 36.7564 16.9513 28.5715 0.00173454 0.00283771 -0.00126156 23
6654 10 C 37.8545 16.896 29.4421 0.00321479 0.00385796 0.00325281 23
6655 11 C 37.6748 16.9771 30.8581 -0.00256976 -0.000447229 -0.00210914 23
6656 12 C 36.3546 17.1367 31.3989 -0.000128129 0.00203771 -0.00256389 23
6657 13 C 40.9873 13.6441 31.2849 -0.00370229 -0.00180805 0.00198298 23
6658 14 C 41.0958 13.6266 29.8967 -0.00226915 -0.00452978 -0.000918573 23
6659 15 C 40.5821 14.6436 29.1391 -0.00118121 -0.000466149 0.00120816 23
6660 16 C 39.9347 15.6991 29.8 -0.00080373 0.00302004 -0.00371321 23
6661 17 C 39.3203 16.887 29.015 -0.000783703 -0.000739219 -5.49648e-05 23
6662 18 O 40.1718 14.6274 33.352 0.00189794 0.00139344 0.00229609 23
6663 19 O 36.11 17.3001 32.7463 -0.00112511 0.000527422 0.00113703 23
6664 20 O 40.0309 19.5478 33.1889 0.000560048 -0.00301457 0.00190287 23
6665 21 C 40.332 14.7048 31.9905 -0.000594268 0.00271374 -0.000997076 23
6666 22 C 39.5718 16.8578 27.5618 -0.00108242 0.00137856 -0.00136561 23
6667 23 C 40.0036 16.8441 26.4377 0.00142466 0.0036935 0.00379142 23
6668 24 C 40.7839 16.9205 25.2496 0.00108121 0.00706227 -0.00283593 23
6669 25 C 40.4218 17.7694 24.1874 0.000624682 -0.000689501 0.00209305 23
6670 26 C 41.3042 17.9062 23.1078 -0.00199233 -0.000932196 -0.00130218 23
6671 27 C 42.5035 17.2188 23.0587 0.000229319 0.00263909 0.00406584 23
6672 28 C 42.8625 16.3131 24.0998 0.00238599 0.000268983 -0.00137378 23
6673 29 C 42.0066 16.2684 25.2208 0.00246391 0.00253512 -0.00132936 23
6674 30 C 43.2611 17.3143 21.8605 -0.00223624 0.00499473 -0.000839101 23
6675 31 C 43.721 17.3217 20.7396 0.00353581 -0.000516215 0.00171903 23
6676 32 C 42.5664 13.7533 18.6331 0.00597819 0.00142608 -0.00107221 23
6677 33 C 42.7508 13.6852 17.2377 0.000331233 -0.00373012 -0.00321841 23
6678 34 C 43.3809 14.7315 16.553 0.00196391 3.59669e-05 -0.00498156 23
6679 35 C 43.7113 15.8882 17.2702 0.002554 -0.000102761 -0.00319521 23
6680 36 C 43.4578 15.9687 18.6676 0.00206151 3.06315e-05 -0.0016476 23
6681 37 C 42.8564 14.9085 19.3427 -1.76309e-05 -0.000655509 0.00115942 23
6682 38 C 44.0334 17.2254 19.3075 -0.00162188 -0.00279145 -0.00198025 23
6683 39 C 47.9009 17.0629 19.3209 0.000810183 0.00231687 -0.00266335 23
6684 40 C 48.1327 17.1166 17.9434 0.00266506 0.00125091 -0.00218175 23
6685 41 C 47.0672 17.1759 17.0704 0.000497441 -0.00226023 -0.00188638 23
6686 42 C 45.7702 17.1623 17.552 0.00131588 0.000965128 -0.00558788 23
6687 43 C 45.5449 17.1488 18.9541 -0.00120739 0.00403736 0.00570063 23
6688 44 C 46.6 17.1701 19.8378 -0.00211321 -0.00102334 -0.000360638 23
6689 45 C 42.1333 20.386 18.127 0.00177304 -0.00903662 -0.00169595 23
6690 46 C 42.3001 20.2385 16.7301 0.00269015 -0.000216485 0.00495924 23
6691 47 C 43.0599 19.164 16.2114 -0.00150604 -0.000878208 -0.00152188 23
6692 48 C 43.6895 18.2542 17.1106 0.00189378 0.0038727 0.00268015 23
6693 49 C 44.5253 17.0314 16.7026 -0.00124886 0.000297546 8.6674e-05 23
6694 50 C 43.4562 18.3726 18.4978 -0.000591316 -0.00164567 -0.00381097 23
6695 51 C 42.7214 19.4419 18.982 0.00205985 0.00328175 0.00477448 23
6696 52 O 47.2436 17.3575 15.7238 -0.000769203 0.00232844 0.00275376 23
6697 53 O 43.7112 14.5497 15.245 -0.000879413 0.000258273 -0.0036523 23
6698 54 O 43.3187 19.0003 14.864 -0.00165324 -0.00188776 -0.000106658 23
6699 55 C 38.9692 17.0043 31.6692 0.00211954 0.00129944 -0.00183025 23
6700 56 C 39.7686 15.748 31.2037 -0.0063158 0.0010595 0.00280854 23
6701 57 C 47.7199 16.3623 14.8689 0.00449864 -0.000450882 0.000606188 23
6702 58 C 47.4997 16.821 13.4424 0.000496492 -0.00141217 0.00511627 23
6703 59 C 46.0264 17.0855 13.0835 -2.88373e-05 -0.00383004 -0.0029068 23
6704 60 C 45.8033 17.2116 11.5641 -0.00072866 0.00214581 0.00130012 23
6705 61 C 46.5646 16.1549 10.7561 -0.00414126 0.00204683 -0.000948664 23
6706 62 C 45.9101 15.6877 9.46968 -0.000791924 -0.00824248 0.000141829 23
6707 63 C 45.9443 16.7239 8.31847 0.00339313 0.00120111 0.000116075 23
6708 64 C 45.9677 15.9489 6.97009 -0.000217537 0.00226679 0.000976111 23
6709 65 C 46.2078 16.9115 5.75748 -3.85737e-05 -0.00317961 -0.00218757 23
6710 66 C 46.3349 16.1618 4.41795 0.0015179 0.00111234 0.00250869 23
6711 67 C 46.3989 17.1321 3.23329 -0.00590292 0.00284816 0.000563352 23
6712 68 C 46.5057 16.4631 1.83538 0.00257492 0.000273638 -2.98913e-05 23
6713 69 F 40.9111 18.7004 22.0519 0.00325376 0.00311184 0.00030578 23
6714 70 C 44.1371 13.2199 14.8156 0.00124332 0.00242011 0.000636174 23
6715 71 C 45.1276 13.3309 13.6517 -0.00440056 0.00333597 -0.00220991 23
6716 72 C 44.5672 13.2881 12.2167 -0.00153418 0.0017909 -0.00218165 23
6717 73 C 45.5824 12.6004 11.2608 0.000947905 -0.0012882 -0.000665088 23
6718 74 C 44.929 12.1822 9.96246 0.00121374 0.00142243 -0.000792196 23
6719 75 C 45.8127 11.2373 9.1276 0.000557156 -0.00247943 -0.00470791 23
6720 76 C 46.5977 11.9073 7.99523 9.50541e-05 -0.000475515 -0.00289137 23
6721 77 C 45.7818 12.1405 6.70363 0.00319164 0.00189745 0.0011257 23
6722 78 C 46.6186 12.4188 5.45639 -0.00276084 0.000771033 0.000642571 23
6723 79 C 45.7864 12.3824 4.13674 -0.00154408 -0.00118768 0.00343471 23
6724 80 C 46.5962 12.6642 2.88291 0.000806535 0.00140945 0.00434634 23
6725 81 C 45.8096 12.5235 1.57619 8.09031e-05 0.00120115 0.005664 23
6726 82 C 42.2541 19.1148 13.9376 0.00038033 -0.000425821 0.000367215 23
6727 83 C 42.9357 18.6721 12.5962 -0.00373027 -0.000873853 0.00263485 23
6728 84 C 42.1613 19.1255 11.3468 -0.00124793 -0.000505707 -0.00204373 23
6729 85 C 42.9987 19.0021 10.0258 0.00232929 0.00541671 -0.00411873 23
6730 86 C 42.1356 19.3175 8.81746 2.79246e-05 -6.17397e-05 0.00342857 23
6731 87 C 43.0001 19.6839 7.62481 -0.00227682 0.000298781 -0.00425787 23
6732 88 C 42.1525 19.9756 6.36957 -0.00206646 -0.00166168 0.000858237 23
6733 89 C 41.7803 18.7119 5.56399 -0.00135487 0.000702497 -0.000487828 23
6734 90 C 42.7546 18.4657 4.38806 -0.00379399 -0.000944355 0.00240801 23
6735 91 C 42.3382 19.2281 3.13889 0.00359649 -0.000581692 -0.00300564 23
6736 92 C 43.1895 18.9941 1.91182 2.15888e-05 -0.000425687 0.0058889 23
6737 93 C 43.2818 17.5143 1.50281 1.6563e-05 -9.41316e-05 0.00360046 23
6738 94 C 34.7911 17.1455 33.3178 -0.000244342 0.000150467 0.00229157 23
6739 95 C 34.634 17.2378 34.8511 0.0013372 0.000545636 0.00258559 23
6740 96 C 33.2088 16.9039 35.2686 0.00238527 0.00467533 -0.00211738 23
6741 97 C 32.6454 17.3969 36.619 -0.00200015 0.000388399 0.00324018 23
6742 98 C 33.4677 17.0717 37.892 0.00243369 0.00236498 0.00376411 23
6743 99 C 32.7069 17.4838 39.1619 -0.00420454 0.00257977 -0.00144106 23
6744 100 C 33.3934 17.0596 40.4513 0.00346193 -0.000889409 -0.0017278 23
6745 101 C 32.6257 17.5431 41.6601 3.91405e-05 0.000137856 -0.00239585 23
6746 102 C 33.3225 16.9948 42.925 -0.00243983 0.001947 0.00180535 23
6747 103 C 32.714 17.4355 44.2631 0.00556757 -0.0011566 0.00557237 23
6748 104 C 33.5085 16.7969 45.4733 -0.00181304 0.00329541 0.000327015 23
6749 105 C 32.8202 16.9125 46.8555 -0.00183594 -0.00435512 0.00266146 23
6750 106 C 40.664 20.6814 33.8841 -0.00238225 0.00197536 0.0026318 23
6751 107 C 40.6197 20.7661 35.4223 0.00452622 -0.00253722 0.00373355 23
6752 108 C 41.2834 22.0896 35.9012 -0.00144087 0.00239988 0.00034686 23
6753 109 C 40.9591 22.4952 37.3869 -0.00468045 0.00311516 -0.00208728 23
6754 110 C 42.1114 22.1868 38.3394 0.00207907 -0.000589295 0.00158448 23
6755 111 C 42.0927 20.7348 38.8613 -0.00153526 0.00132571 -0.00526439 23
6756 112 C 41.0111 20.5417 39.9221 -0.000662185 3.49814e-05 0.00307569 23
6757 113 C 41.5046 20.9795 41.3157 0.00275758 -0.00156724 -0.000525016 23
6758 114 C 40.5026 20.6561 42.462 -0.000428273 -0.00089183 -0.000623882 23
6759 115 C 41.1691 20.5475 43.8651 -0.00386962 0.000465478 -0.00491547 23
6760 116 C 41.8322 21.856 44.358 0.00121158 0.00696513 -0.00297254 23
6761 117 C 42.2294 21.8057 45.8252 0.000566157 -0.00100601 0.000202937 23
6762 118 C 41.05 13.7383 34.1107 -0.000524038 -0.00166094 -0.00383482 23
6763 119 C 40.746 13.7083 35.6018 0.000688137 -0.000518583 -0.000710276 23
6764 120 C 41.5416 12.5972 36.3348 0.000282012 0.0045431 0.00116355 23
6765 121 C 41.9018 12.9217 37.8105 -0.00169114 0.00247118 -0.00215253 23
6766 122 C 40.9072 12.5247 38.9341 0.00110403 0.00067748 -0.00210145 23
6767 123 C 41.4718 12.7053 40.3532 0.000901552 -0.000102052 0.00166096 23
6768 124 C 40.5123 12.675 41.5454 -0.0020242 -0.000726985 -0.00321547 23
6769 125 C 41.1957 12.8844 42.91 0.000199744 0.000293554 -0.00453247 23
6770 126 C 40.2124 12.6768 44.0955 -0.000660671 -0.00235868 0.0026431 23
6771 127 C 40.6458 13.42 45.3939 0.00240987 0.00313282 -0.00220988 23
6772 128 C 41.8174 12.7175 46.094 -0.002339 0.000744416 0.00166446 23
6773 129 C 41.3706 11.4897 46.8726 0.00189851 0.00522189 0.000781893 23
6774 130 F 39.2289 18.4249 24.209 -0.000806475 0.000928835 -0.00344163 23
6775 131 H 41.3094 21.2092 31.5605 0.00887664 -0.00783552 0.01567 23
6776 132 H 41.6916 20.9681 29.1469 -0.00994765 -0.00192171 -0.00662981 23
6777 133 H 40.7931 19.0959 27.9444 -0.00100659 0.0118861 -0.00219092 23
6778 134 H 34.2612 17.3289 30.8394 0.00142254 0.00056102 0.00696713 23
6779 135 H 34.6293 17.086 28.4153 0.0025652 0.02954 -0.00119758 23
6780 136 H 36.8957 16.8799 27.4969 -0.0084661 -0.0057013 -0.00202208 23
6781 137 H 41.4738 12.8359 31.823 0.00187378 -0.00127345 -0.00225049 23
6782 138 H 41.5628 12.7973 29.3738 -0.0095266 -0.00532291 -0.00616436 23
6783 139 H 40.7546 14.6134 28.0673 -0.00110138 -0.00449201 0.00133411 23
6784 140 H 43.7975 15.7608 24.1066 -0.00352337 -0.00978286 -0.00718814 23
6785 141 H 42.3054 15.6324 26.0489 -0.00157541 0.00811728 0.00439985 23
6786 142 H 42.0539 12.9473 19.1499 0.000776523 -0.00314195 -0.0133336 23
6787 143 H 42.5121 12.7762 16.6935 -0.00532067 -0.00873854 0.00766634 23
6788 144 H 42.6594 14.8948 20.4106 -0.000560987 -0.000469987 0.00106145 23
6789 145 H 48.7524 17.1354 19.991 -0.0052284 0.000259371 0.00521891 23
6790 146 H 49.1314 17.1875 17.5226 0.000796588 0.0161114 -0.00414533 23
6791 147 H 46.475 17.1725 20.9165 -0.00536153 0.0038977 -0.000757816 23
6792 148 H 41.5907 21.2185 18.5652 0.0138617 -0.000320781 -0.00329139 23
6793 149 H 41.9191 20.9732 16.0269 -0.00591956 -0.010279 -0.000892875 23
6794 150 H 44.7067 16.9368 15.6248 -0.0126897 0.00968234 -0.00266692 23
6795 151 H 42.7062 19.6436 20.049 0.000796608 -0.00948444 0.00714871 23
6796 152 H 38.8334 17.096 32.7539 0.0110579 -0.00502488 -0.00017743 23
6797 153 H 48.7707 16.1362 15.0882 0.00203087 -0.00555198 0.00720273 23
6798 154 H 47.1106 15.4596 15.0002 -0.00509678 0.0061031 0.00121926 23
6799 155 H 48.0228 16.1039 12.7978 -0.00105106 0.00631052 -0.00474485 23
6800 156 H 48.0879 17.7291 13.2611 -0.00247469 0.00304965 0.0179117 23
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6806 162 H 47.6059 16.4086 10.5218 0.00105134 -0.011159 0.00773812 23
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6812 168 H 46.7918 15.2261 6.92821 -0.000626204 0.00219066 -0.00608407 23
6813 169 H 47.1102 17.496 5.97543 0.00347262 -0.0105794 0.00310576 23
6814 170 H 45.3768 17.6274 5.73831 0.000946255 -0.00216407 -0.00667045 23
6815 171 H 45.4661 15.5063 4.28031 -0.000537139 0.00188224 0.0118136 23
6816 172 H 47.2799 15.6048 4.43604 -0.00721902 -0.0138546 -0.00408749 23
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6822 178 H 44.7095 12.7852 15.6444 0.00172635 0.00196838 6.53386e-05 23
6823 179 H 43.3111 12.5276 14.611 0.00823798 -0.00481282 -0.00317575 23
6824 180 H 45.7246 14.2441 13.7656 0.00358258 -0.00278128 0.00491366 23
6825 181 H 45.8227 12.4877 13.7472 -0.00254481 0.00703197 0.0169429 23
6826 182 H 43.6243 12.7301 12.272 -0.000434394 0.000533861 0.00396999 23
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6829 185 H 45.944 11.7103 11.7902 0.00273031 0.00579001 0.0100788 23
6830 186 H 43.9883 11.6448 10.1349 0.00323207 0.00350931 0.016509 23
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6834 190 H 46.9788 12.8993 8.26716 0.00955465 -0.0113806 0.0233141 23
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6837 193 H 45.0655 12.9639 6.8147 0.00403734 0.00391573 -0.00826152 23
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6845 201 H 45.5513 11.4669 1.43403 0.0164129 -0.0020813 0.000251842 23
6846 202 H 44.9199 13.1647 1.60464 0.00575663 0.00924252 0.0024016 23
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6848 204 H 41.8813 20.1445 13.8739 -0.0101414 -0.00407093 0.00317783 23
6849 205 H 43.9476 19.0799 12.4808 -0.00054788 -0.0101672 -0.00242193 23
6850 206 H 43.0222 17.5787 12.6162 -0.0126231 -0.00172029 -0.00528587 23
6851 207 H 41.2828 18.4695 11.3116 0.000879408 -0.00439943 0.0159064 23
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6853 209 H 43.8243 19.7225 10.0791 0.00262907 0.00507739 -0.00419236 23
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6855 211 H 41.475 18.4574 8.65234 0.00142901 -9.06173e-05 -0.00197439 23
6856 212 H 41.5377 20.2115 9.03349 -0.00839866 -0.00555219 0.0027449 23
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6858 214 H 43.7425 18.9087 7.39815 -0.0041287 -0.00149289 -0.00419544 23
6859 215 H 41.2326 20.5331 6.58506 -0.00423715 0.000179044 -0.0130617 23
6860 216 H 42.757 20.6115 5.71118 0.00309252 -0.0167571 -0.00901282 23
6861 217 H 41.8755 17.8592 6.24749 -0.0112784 0.000636632 0.000810305 23
6862 218 H 40.7194 18.6956 5.28545 -0.00309077 0.000727054 0.00607594 23
6863 219 H 43.7706 18.766 4.6726 -0.0027893 0.00321514 -0.00555548 23
6864 220 H 42.7684 17.3948 4.15054 0.00938186 -0.00225074 0.00911437 23
6865 221 H 41.2857 18.9898 2.9419 0.005922 0.00109723 -0.0173643 23
6866 222 H 42.3437 20.3151 3.28667 0.00791607 -0.00258252 0.0113406 23
6867 223 H 42.7228 19.4999 1.05752 -0.00491874 -0.0110361 0.00227095 23
6868 224 H 44.2175 19.3424 2.071 0.003151 -0.0027496 -0.00919304 23
6869 225 H 43.7062 16.8633 2.27713 0.0165847 0.0126277 0.00521441 23
6870 226 H 42.2729 17.1476 1.27656 -0.00424362 0.00914658 0.00760585 23
6871 227 H 43.9181 17.3745 0.620247 0.00169047 -0.00822153 0.00609027 23
6872 228 H 34.2092 17.9621 32.8731 -0.00263059 0.0037806 0.0121003 23
6873 229 H 34.3564 16.1893 33.0014 0.000188992 -0.000984264 0.00512192 23
6874 230 H 35.278 16.4561 35.2725 0.00106927 0.00131768 0.00441597 23
6875 231 H 34.9152 18.2573 35.1425 0.00818912 -0.00217019 0.00542884 23
6876 232 H 32.6044 17.2978 34.4422 0.00109258 -0.00108581 -0.003918 23
6877 233 H 33.0845 15.8142 35.245 0.00181979 0.00444203 0.0119295 23
6878 234 H 32.4839 18.4745 36.492 -0.00236304 0.000127571 0.00145071 23
6879 235 H 31.6477 16.9525 36.7213 -0.0087426 0.0187181 0.0171051 23
6880 236 H 33.6381 15.9895 37.9481 0.00713096 0.00361455 0.0135062 23
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6882 238 H 32.6496 18.5793 39.1647 0.00461423 0.00303989 0.00328546 23
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6884 240 H 33.4752 15.9675 40.5144 -0.00226197 -0.0005591 0.011433 23
6885 241 H 34.4322 17.4103 40.4158 -0.00145466 0.0150478 0.0133297 23
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6887 243 H 31.5606 17.2839 41.6186 -0.000364381 0.000889987 0.00315337 23
6888 244 H 33.2744 15.8992 42.8966 0.00222531 0.001786 0.000260645 23
6889 245 H 34.3769 17.2906 42.8609 -0.00327039 0.0032529 -0.00604859 23
6890 246 H 32.6937 18.5228 44.4068 0.00594849 0.000567424 -0.00760469 23
6891 247 H 31.6705 17.0971 44.2746 0.00313457 0.00572716 -0.0123526 23
6892 248 H 33.6856 15.7253 45.3196 -0.00088143 0.0029376 0.00388171 23
6893 249 H 34.474 17.3151 45.5265 -0.00994562 0.0186115 -0.000664793 23
6894 250 H 31.8311 16.4392 46.8234 -0.00493268 0.00265256 -0.00489122 23
6895 251 H 33.4169 16.357 47.5895 -0.0057135 9.67155e-05 0.00917514 23
6896 252 H 32.8008 17.9627 47.1718 0.00357839 -0.00197755 -0.00485111 23
6897 253 H 41.7084 20.7189 33.5505 -0.00361735 0.00261168 -0.00117987 23
6898 254 H 40.1477 21.5856 33.5388 0.00775308 0.0106198 0.0101141 23
6899 255 H 39.5655 20.7646 35.7257 0.00191049 -0.00528332 -0.00534833 23
6900 256 H 41.1838 19.9365 35.8662 0.00335004 0.00358446 0.0166546 23
6901 257 H 42.3646 22.0663 35.7174 -0.00172836 0.0142807 -0.0028936 23
6902 258 H 40.9595 22.8404 35.1699 -0.00904411 -0.00245861 -0.00128803 23
6903 259 H 40.8148 23.5826 37.3761 -0.00309151 0.00330394 -0.00480294 23
6904 260 H 40.0198 22.0118 37.6824 -0.00395336 0.00429734 0.00213199 23
6905 261 H 43.0598 22.3618 37.8165 -0.00341115 0.00391301 -0.00686925 23
6906 262 H 42.101 22.8877 39.1832 -0.00542763 0.00552422 -0.00358726 23
6907 263 H 41.9618 20.0739 37.9956 0.0181927 -0.00532935 -0.00316128 23
6908 264 H 43.1038 20.5907 39.2615 -0.00525653 0.00444737 0.00523928 23
6909 265 H 40.1285 21.1324 39.6474 0.00044867 0.0032187 0.00634498 23
6910 266 H 40.7638 19.4733 39.8956 0.00240034 -0.000718871 0.00479317 23
6911 267 H 42.4365 20.4225 41.4727 0.00395289 -0.000946979 -0.005382 23
6912 268 H 41.7931 22.0376 41.3376 -0.000549449 -0.00051119 -0.0082429 23
6913 269 H 39.7404 21.4442 42.424 0.00111402 0.000346338 -0.00618116 23
6914 270 H 40.0786 19.6783 42.202 0.00894953 -0.00527066 0.000471632 23
6915 271 H 40.3919 20.2467 44.5785 0.00230298 0.00627465 0.00424439 23
6916 272 H 41.8806 19.7127 43.8449 -0.020051 -0.0134876 -0.000165311 23
6917 273 H 42.689 22.1528 43.7405 0.00378975 -0.00267281 -0.00401269 23
6918 274 H 41.0782 22.6506 44.2973 -0.00733358 -0.00137129 -0.00600003 23
6919 275 H 42.8622 22.6361 46.162 -0.0133743 0.00770692 0.00497412 23
6920 276 H 41.3515 21.8803 46.4787 0.00291733 0.00313284 0.0029046 23
6921 277 H 42.7652 20.8712 46.0324 -0.00342354 -0.00192937 0.00633714 23
6922 278 H 41.0282 12.6918 33.7822 -0.00494648 -0.00555285 0.00879191 23
6923 279 H 42.0698 14.1213 33.9822 -0.00576252 0.0151858 0.00465529 23
6924 280 H 39.6776 13.4955 35.7312 -0.000283511 0.00915669 0.00720098 23
6925 281 H 40.8955 14.6698 36.1083 0.0118351 -0.00016217 -0.00472169 23
6926 282 H 42.4728 12.4274 35.7803 -0.00780931 0.00394758 -0.0122355 23
6927 283 H 40.9849 11.6524 36.3061 -0.0122684 0.012307 -0.0108911 23
6928 284 H 42.1863 13.9811 37.8038 -0.00704039 0.00395115 0.0115075 23
6929 285 H 42.8267 12.3971 38.0803 -0.00224526 0.00463696 0.0039876 23
6930 286 H 40.5978 11.4777 38.8275 0.00669736 -0.00149985 0.0031067 23
6931 287 H 39.9699 13.0826 38.8169 0.0130219 0.0195245 -0.00735741 23
6932 288 H 41.9568 13.6886 40.3875 0.00393807 -0.001787 0.00715142 23
6933 289 H 42.2663 11.9755 40.5523 -0.00234755 -0.00104706 0.0112168 23
6934 290 H 39.9804 11.7157 41.5269 0.0041215 -0.00421403 0.00160162 23
6935 291 H 39.7258 13.4179 41.3635 0.00498593 0.0074766 8.3246e-05 23
6936 292 H 41.6217 13.8953 42.911 0.00211287 -0.00052749 0.00232092 23
6937 293 H 42.0336 12.1809 42.9908 0.00012326 -0.000398333 -0.00971496 23
6938 294 H 40.0005 11.6176 44.2868 -0.00766856 -0.00122903 0.0011951 23
6939 295 H 39.2328 13.0665 43.7922 0.00422691 0.00615189 -0.00216138 23
6940 296 H 39.8124 13.5383 46.0974 0.0023635 -0.0119593 0.000259982 23
6941 297 H 40.9271 14.4388 45.0998 0.00156327 0.00416096 0.000550739 23
6942 298 H 42.2976 13.4025 46.8036 0.00206354 0.000291524 -0.00087776 23
6943 299 H 42.5654 12.4745 45.3292 -0.0173207 7.03039e-05 -0.0127939 23
6944 300 H 40.9659 10.721 46.2027 0.0159092 -0.00626018 0.00546032 23
6945 301 H 40.5561 11.6581 47.5879 -0.00667046 -0.00718904 -0.00599287 23
6946 302 H 42.2259 11.02 47.3739 -0.00783985 0.00113524 0.0135535 23
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6948 2 C 44.8515 27.1217 29.8502 -0.00177908 -0.00186475 -0.00278651 24
6949 3 C 44.388 25.9989 29.1883 0.00368872 0.00270148 0.00316453 24
6950 4 C 43.7878 24.9586 29.924 -0.00138261 0.00276952 -0.00292695 24
6951 5 C 43.585 25.0512 31.3331 0.0022255 0.00237451 -0.00478563 24
6952 6 C 44.0623 26.203 32.0025 -0.00253713 0.000476666 -0.00125125 24
6953 7 C 39.1819 23.7367 30.4929 0.00237827 0.00131142 0.000262542 24
6954 8 C 39.5006 23.6664 29.1175 0.00254208 -0.00348411 0.000709736 24
6955 9 C 40.8202 23.6039 28.654 1.97339e-05 -0.00179055 0.00257988 24
6956 10 C 41.8384 23.6375 29.6322 -0.000359162 0.00139587 0.000600999 24
6957 11 C 41.5268 23.7433 31.0441 -0.00538652 0.00222696 -0.00035609 24
6958 12 C 40.1689 23.8069 31.4855 -0.00278748 0.00217548 -0.00329696 24
6959 13 C 44.88 20.6435 31.8896 0.00256059 0.00235065 0.00018785 24
6960 14 C 45.1467 20.5032 30.5301 -0.00121715 -0.00463426 0.00434673 24
6961 15 C 44.6543 21.4508 29.6488 0.00254551 0.0028467 0.0011531 24
6962 16 C 43.8728 22.509 30.1636 0.00111583 -0.000493145 0.00277534 24
6963 17 C 43.3474 23.6542 29.284 0.00293914 0.00105535 -0.00386224 24
6964 18 O 43.8215 21.7196 33.7393 0.00374893 -0.00242375 -0.000501346 24
6965 19 O 39.8808 23.8456 32.8443 -0.0019209 0.00275057 0.0016327 24
6966 20 O 43.9249 26.371 33.3746 -0.00426888 -0.000770515 0.00127048 24
6967 21 C 44.0595 21.6335 32.3959 0.00019435 -0.000278533 -0.00246965 24
6968 22 C 43.727 23.55 27.8637 -0.000158068 0.000360178 0.000797195 24
6969 23 C 44.2333 23.4782 26.7549 -0.000550607 0.00150496 0.000463866 24
6970 24 C 44.9411 23.4582 25.4969 0.00221339 0.00101107 -0.00204156 24
6971 25 C 46.1507 22.7374 25.39 -0.000186784 -0.00055353 0.00062326 24
6972 26 C 46.963 22.8461 24.2241 -0.00055751 0.00221942 -0.00199217 24
6973 27 C 46.5113 23.6184 23.162 0.00259667 0.00106571 0.00339533 24
6974 28 C 45.2761 24.2513 23.2341 0.000722972 -0.00119385 1.96173e-05 24
6975 29 C 44.4517 24.1578 24.3663 -0.000132183 0.0038066 0.000654499 24
6976 30 C 47.2789 23.7643 21.9455 -0.00318512 -0.00433336 1.73858e-07 24
6977 31 C 47.6895 23.8638 20.8195 -0.00422795 0.00402655 -0.00185291 24
6978 32 C 46.2856 20.5337 18.5534 7.53444e-05 0.000228222 -0.00175054 24
6979 33 C 46.4029 20.5583 17.1695 0.00063158 -0.00273576 -0.00233874 24
6980 34 C 46.8905 21.6996 16.5065 0.00147725 -0.00259738 -0.00196816 24
6981 35 C 47.3758 22.7432 17.283 -0.00254435 -0.00579397 0.00382634 24
6982 36 C 47.2902 22.7153 18.6738 0.00106803 -0.00113085 0.00364395 24
6983 37 C 46.7194 21.5999 19.3409 0.00204433 -0.0024727 -0.000476443 24
6984 38 C 47.9712 23.9053 19.3572 0.00234775 0.000622978 0.00388592 24
6985 39 C 51.8688 23.8185 19.0057 -0.000472596 -0.00200206 -0.00376558 24
6986 40 C 51.9247 23.7326 17.5682 0.000493422 -0.000743062 0.000327838 24
6987 41 C 50.7545 23.7595 16.8037 0.000377694 -0.00491295 0.00149703 24
6988 42 C 49.5201 23.8844 17.4235 0.00404564 -0.000594188 -0.0016587 24
6989 43 C 49.4359 23.9176 18.8473 0.00022926 -0.00116529 -0.00276381 24
6990 44 C 50.6145 23.8646 19.6214 0.00209433 -0.000632703 -0.00175225 24
6991 45 C 46.5403 27.4039 18.6722 0.0044606 -0.0014511 -0.00163586 24
6992 46 C 46.5999 27.3943 17.2486 0.00393098 -0.00113508 0.00154496 24
6993 47 C 47.1192 26.2822 16.5734 0.00591735 -0.00019067 -0.00582605 24
6994 48 C 47.4548 25.156 17.2936 -0.000936823 0.00183036 -0.00351624 24
6995 49 C 48.1323 23.9364 16.6955 0.000686072 -0.00428613 -0.00600094 24
6996 50 C 47.3663 25.1532 18.6935 0.00252515 0.000459723 0.00436065 24
6997 51 C 46.9278 26.2864 19.4029 0.00388144 -0.000496158 -0.00152742 24
6998 52 O 50.6915 23.5635 15.4648 -0.000718452 0.000305333 -0.00141201 24
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7000 54 O 47.3811 26.3988 15.2531 0.00212726 -0.000632468 -0.0024696 24
7001 55 C 42.7693 23.8713 31.9158 0.00209735 0.000328602 2.32232e-05 24
7002 56 C 43.5907 22.609 31.5301 -0.00192722 -0.000503879 0.00255026 24
7003 57 C 51.5896 22.6991 14.7387 -0.00164025 -0.00157338 -0.0001466 24
7004 58 C 50.8251 22.1711 13.4944 -0.000545885 0.000132533 -0.00321888 24
7005 59 C 50.3385 23.2287 12.4214 -0.000703256 0.00399836 0.000658577 24
7006 60 C 50.7356 22.8218 11.0011 0.00198805 -0.00110694 -0.00708593 24
7007 61 C 49.9889 23.5273 9.83199 -0.00368119 0.000912192 -0.0021588 24
7008 62 C 50.501 22.9845 8.50129 0.000878185 0.00192275 -0.00256077 24
7009 63 C 49.8062 23.5015 7.25425 0.00591279 -0.00173829 0.000162371 24
7010 64 C 50.4957 23.0036 5.96889 0.00070542 0.000192736 -7.31349e-05 24
7011 65 C 49.7662 23.4756 4.72201 0.00153471 0.00149971 0.000226374 24
7012 66 C 50.2709 22.8408 3.40205 -0.00195889 0.00469693 0.00105916 24
7013 67 C 49.7958 23.5696 2.12774 5.29514e-05 0.00135268 -0.0032421 24
7014 68 C 50.3095 22.8451 0.872388 -0.0014659 -6.15307e-05 0.00533832 24
7015 69 F 48.1323 22.1476 24.1442 0.00338753 -6.68184e-05 0.00297782 24
7016 70 C 46.6056 20.6399 14.3033 -0.0021571 -0.00413117 -0.00176934 24
7017 71 C 47.2255 20.7523 12.911 0.00384408 -0.00665817 0.0014095 24
7018 72 C 46.3276 21.3083 11.8293 0.00265343 -0.00120043 -0.000892568 24
7019 73 C 46.9753 21.0557 10.4505 -0.00104508 0.00484184 -0.00165612 24
7020 74 C 46.2419 21.583 9.23952 0.00167644 -0.00360618 -0.00365475 24
7021 75 C 46.8141 20.9218 8.00188 0.00183993 0.0029937 0.00533797 24
7022 76 C 46.1773 21.3458 6.65436 0.00440086 -0.00435278 -0.00467884 24
7023 77 C 46.8363 20.5835 5.4999 0.00226559 -0.000230489 -0.00671722 24
7024 78 C 46.1207 20.6673 4.11962 0.00340637 0.000144856 0.00449548 24
7025 79 C 46.3281 21.9756 3.34837 0.00154784 8.8961e-05 0.00286203 24
7026 80 C 45.7826 22.0044 1.93242 0.00031213 0.000289452 -0.00269948 24
7027 81 C 46.5546 21.1465 0.926657 0.00175129 0.00423498 0.000409826 24
7028 82 C 48.6055 26.9329 14.7134 -0.000453447 -0.00157896 0.000954694 24
7029 83 C 48.5567 26.8531 13.1754 -0.00099191 -0.000770491 -0.00213874 24
7030 84 C 49.4627 27.8565 12.423 0.00103629 0.000199719 -0.00255857 24
7031 85 C 49.2558 27.7875 10.8882 -0.00163428 -0.00107757 0.000295541 24
7032 86 C 50.3182 28.6397 10.1117 -0.00354795 -0.00236655 0.000395609 24
7033 87 C 50.0447 28.7539 8.57139 0.00155513 0.00521886 -0.00165709 24
7034 88 C 49.8351 27.3804 7.8381 0.00154372 -0.00175175 0.000660675 24
7035 89 C 49.6416 27.4411 6.2919 0.00170424 -0.00068907 -0.00173168 24
7036 90 C 50.8521 27.9675 5.53701 0.000593741 0.00283847 -0.000761148 24
7037 91 C 50.8197 27.4858 4.07662 0.0012335 -0.000596991 -0.000225359 24
7038 92 C 49.7458 28.2666 3.27969 0.000511805 0.00111428 -0.00400699 24
7039 93 C 49.9657 28.0438 1.77483 0.00103141 -0.000141099 0.00294626 24
7040 94 C 38.5339 24.0657 33.2943 -0.00236118 0.00573186 -0.00398632 24
7041 95 C 38.4582 23.9358 34.851 -0.00238045 -0.00267835 0.000887787 24
7042 96 C 37.0332 24.3911 35.2544 -0.00115833 -0.00113322 0.00213628 24
7043 97 C 36.4974 24.0521 36.6508 -0.00238645 -0.000542538 -0.00168082 24
7044 98 C 37.5148 24.1761 37.8091 -0.000692434 0.00396104 -0.00163957 24
7045 99 C 36.9056 23.6289 39.1472 2.15048e-05 0.00201783 -0.00146101 24
7046 100 C 37.8054 23.9018 40.3798 0.00060824 -0.00518038 0.00126516 24
7047 101 C 37.0866 23.4782 41.6803 -0.00101171 0.00135728 0.00428456 24
7048 102 C 37.8624 23.79 42.9728 0.000770137 -0.000504314 -0.00125159 24
7049 103 C 37.0627 23.3612 44.2351 -4.92174e-05 -0.000898598 0.00745434 24
7050 104 C 37.4792 24.0523 45.5533 0.000191496 -0.00307561 -0.00251642 24
7051 105 C 38.8856 23.7398 46.1158 -0.00159297 0.0027953 -0.000918653 24
7052 106 C 44.1729 27.6294 34.0942 -0.0061163 0.00172756 0.000700825 24
7053 107 C 44.7024 27.3723 35.481 0.00353817 0.00402506 -0.00120402 24
7054 108 C 44.7706 28.6159 36.4098 -0.00147288 -0.0037677 0.00228654 24
7055 109 C 45.7969 28.4084 37.537 0.00138464 0.00192108 0.00070883 24
7056 110 C 45.6161 29.3822 38.7165 0.00477137 0.000703727 0.000759979 24
7057 111 C 44.5218 28.9847 39.7129 -0.00321882 0.00176972 0.00386769 24
7058 112 C 45.0361 28.1491 40.8847 -0.00176405 0.00123147 0.00155306 24
7059 113 C 45.9276 28.939 41.884 0.00108507 0.000176089 -0.001983 24
7060 114 C 45.2682 29.2962 43.2385 0.000119923 0.00203584 -0.00215456 24
7061 115 C 45.362 28.1033 44.2291 0.00410279 0.00672715 -0.000134266 24
7062 116 C 44.7762 28.4324 45.6509 -0.00223618 0.00143696 0.00118478 24
7063 117 C 45.2158 27.5131 46.8439 0.000591578 3.83112e-05 0.00183129 24
7064 118 C 44.6792 21.1844 34.7854 0.00344725 0.000825514 -0.00114703 24
7065 119 C 44.2948 19.7722 35.1182 -0.000521193 0.000361106 -0.00060753 24
7066 120 C 45.2628 19.0441 36.081 -0.00319756 0.000957209 -0.000776813 24
7067 121 C 45.1224 19.4793 37.546 0.000618394 -0.00015557 -6.78652e-05 24
7068 122 C 46.4152 19.3304 38.4277 0.000620736 -0.000796323 -0.00150576 24
7069 123 C 46.1363 19.8783 39.8657 0.00477157 -0.00293835 0.00226645 24
7070 124 C 45.378 18.8839 40.7609 -0.000252748 0.00295146 -0.00402951 24
7071 125 C 44.8766 19.4859 42.0456 0.00594913 0.00351082 0.00173874 24
7072 126 C 45.7448 19.2859 43.3124 0.00135133 0.00193859 -0.00102669 24
7073 127 C 44.9876 19.8068 44.5471 0.00142489 0.00493986 -0.000803539 24
7074 128 C 45.7583 19.5718 45.8711 -0.000758276 0.000699839 0.00220959 24
7075 129 C 44.9641 20.0026 47.0919 9.43929e-05 -0.000927935 0.00252862 24
7076 130 F 46.6227 21.9344 26.3848 -0.00149123 0.00134013 0.00164657 24
7077 131 H 45.0277 28.1572 31.6819 -0.0249818 0.0147021 -0.0129506 24
7078 132 H 45.2577 27.9587 29.29 -0.00240306 -0.00275536 -0.00456856 24
7079 133 H 44.3846 25.9337 28.1042 -0.000953355 -0.00573543 0.00365593 24
7080 134 H 38.1444 23.6861 30.81 0.00149008 -0.0216599 -0.00630301 24
7081 135 H 38.6746 23.6274 28.4136 0.00256228 0.00924056 -1.97593e-05 24
7082 136 H 41.0741 23.5577 27.5991 -0.000553465 0.00561629 0.00211691 24
7083 137 H 45.2405 19.8429 32.5287 -0.011841 -0.000238479 0.00510084 24
7084 138 H 45.7668 19.7275 30.0906 0.0105055 0.0130876 -0.0105243 24
7085 139 H 44.9194 21.424 28.596 0.0127565 -0.00783052 0.0040209 24
7086 140 H 44.9355 24.7644 22.3396 0.00960132 -0.000388955 -0.00290904 24
7087 141 H 43.4833 24.6482 24.3978 0.00129136 0.00704988 -0.00618757 24
7088 142 H 45.8309 19.6705 19.0303 -0.00656364 0.0100482 0.0096845 24
7089 143 H 46.0841 19.6953 16.5925 0.00281654 -0.00647362 0.00205212 24
7090 144 H 46.6384 21.5171 20.4207 -0.00768239 -0.00539234 -0.00142743 24
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7250 2 C 2.01402 33.927 29.8333 0.00513706 -0.0032688 -0.00156831 25
7251 3 C 1.43179 32.909 29.0826 -0.00438388 -0.00216615 0.00135275 25
7252 4 C 0.77529 31.8744 29.7289 -0.00286295 -0.00229908 -0.000509528 25
7253 5 C 0.52173 31.9784 31.1043 -0.00121855 -0.00327442 -0.00153473 25
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7255 7 C -3.91342 30.673 30.4049 -0.00080175 0.000899386 0.00186073 25
7256 8 C -3.68817 30.6266 28.9889 0.00150886 -0.00142197 -0.00157156 25
7257 9 C -2.37369 30.6553 28.5281 0.000537508 0.00251376 -0.000223348 25
7258 10 C -1.32681 30.5882 29.4366 0.000513297 0.000451101 0.00113407 25
7259 11 C -1.53685 30.6235 30.8562 -0.00347072 0.000387719 -0.00213871 25
7260 12 C -2.85225 30.6978 31.3684 0.00293961 0.00246901 -0.00428017 25
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7262 14 C 1.99455 27.3479 30.1182 -0.000778092 -0.00075397 6.16709e-05 25
7263 15 C 1.5073 28.3832 29.3218 -0.00142737 -0.0026667 -0.0023612 25
7264 16 C 0.745321 29.4432 29.8528 0.00118491 -0.00109697 0.00317314 25
7265 17 C 0.165951 30.6263 29.0638 0.00115342 0.00234756 -0.000354701 25
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7268 20 O 0.690896 33.1604 33.2094 0.00175096 0.00127728 -0.00186727 25
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7270 22 C 0.563078 30.5546 27.6546 -0.00193468 0.00434994 0.000847237 25
7271 23 C 1.06454 30.6047 26.5491 -0.00187974 0.000215031 0.00176028 25
7272 24 C 1.87629 30.6956 25.3965 0.00338649 0.00268942 0.00197918 25
7273 25 C 1.57311 31.6354 24.4083 -0.0024266 -0.000357177 -1.29634e-05 25
7274 26 C 2.43778 31.7271 23.3115 -0.00273689 -0.000497235 0.000978887 25
7275 27 C 3.52896 30.8105 23.216 -0.00113719 -0.00145835 0.00220844 25
7276 28 C 3.76542 29.8389 24.1999 0.000370567 -0.00151756 -0.00017031 25
7277 29 C 2.93935 29.7871 25.3133 0.00124912 0.00504766 0.00210315 25
7278 30 C 4.25919 30.8121 22.0036 0.00298178 0.000524141 -0.00158402 25
7279 31 C 4.72309 30.8225 20.888 -0.00206815 0.00222835 -0.00336381 25
7280 32 C 3.28499 27.4015 18.8344 0.00081522 0.00396625 0.000529323 25
7281 33 C 3.56034 27.2736 17.4595 -0.00594354 0.000492879 0.00537486 25
7282 34 C 4.14505 28.3214 16.7207 0.000271638 -0.00171115 0.00102986 25
7283 35 C 4.5428 29.5089 17.3878 -0.00272616 -0.000125755 -0.00213053 25
7284 36 C 4.3354 29.5881 18.7983 -0.000613039 0.00406782 -0.00688736 25
7285 37 C 3.66394 28.5412 19.5013 -0.00358167 -0.00139534 0.000430812 25
7286 38 C 4.96653 30.8506 19.4171 0.00210444 0.000219251 0.00092091 25
7287 39 C 8.88333 30.7123 19.0708 -0.00124156 0.000177852 0.00188262 25
7288 40 C 8.96106 30.9331 17.6694 -0.00356963 0.00321897 0.00584906 25
7289 41 C 7.78976 31.0777 16.9051 -0.00174315 0.000272705 -0.00488827 25
7290 42 C 6.54971 30.8963 17.531 0.0048709 0.000281098 -0.00376306 25
7291 43 C 6.44175 30.8178 18.9099 -0.00393158 0.00297409 -0.00357121 25
7292 44 C 7.62885 30.7324 19.7062 -0.0039934 -0.00073057 0.00405991 25
7293 45 C 3.11456 34.0844 18.4049 0.00413627 -0.00210913 0.00182962 25
7294 46 C 3.17137 33.9682 17.0208 0.00192579 0.000136894 -0.00296834 25
7295 47 C 3.84411 32.884 16.4601 0.000578688 -0.00240988 0.000357905 25
7296 48 C 4.41646 31.9316 17.2827 -0.00246366 -0.00239338 -0.000258221 25
7297 49 C 5.22853 30.7584 16.7943 0.00106752 -0.000404914 0.00251292 25
7298 50 C 4.33267 32.033 18.6788 -0.00329748 0.000812086 0.00192052 25
7299 51 C 3.68498 33.1378 19.2559 -0.00220617 -0.00633056 0.000203598 25
7300 52 O 7.81055 31.2882 15.5498 -0.00268442 -0.0027289 0.00328069 25
7301 53 O 4.43083 28.1158 15.3888 0.000752744 -0.00191104 -0.00199647 25
7302 54 O 4.02461 32.8271 15.1096 -0.00192572 -0.00281631 -0.00184173 25
7303 55 C -0.273171 30.7305 31.672 0.000611675 0.00628942 0.00224323 25
7304 56 C 0.490379 29.4636 31.22 0.000484829 0.000698609 0.00363423 25
7305 57 C 8.14963 30.1699 14.6991 -0.00198791 -0.0040852 -0.00132653 25
7306 58 C 7.101 30.0269 13.5648 -0.00314328 -0.00230455 0.000728385 25
7307 59 C 7.04901 31.1817 12.5459 0.00287636 0.00133798 0.0016329 25
7308 60 C 6.51861 30.7743 11.1673 0.00306717 -0.0027629 0.00412952 25
7309 61 C 7.39965 29.76 10.416 0.00151252 0.000818134 -0.00115679 25
7310 62 C 6.86498 29.4928 8.97575 -0.00131385 0.00146772 -0.00134507 25
7311 63 C 6.86002 30.7181 8.09689 -0.000284412 -0.0009828 -0.00125526 25
7312 64 C 6.37017 30.3747 6.64861 0.000520597 0.00467907 0.00292818 25
7313 65 C 7.36538 29.5575 5.80016 0.00195772 -0.000985071 0.00262988 25
7314 66 C 7.54415 30.0994 4.34913 0.00309449 -0.00220623 0.00437905 25
7315 67 C 6.59139 29.5537 3.24442 0.00101818 0.00191187 -0.00208957 25
7316 68 C 6.87905 30.1744 1.85698 -0.00247464 0.000208646 -0.00479213 25
7317 69 F 2.13616 32.5468 22.2685 0.00418924 0.00219145 0.00077435 25
7318 70 C 5.56315 27.2381 15.1857 -0.00313698 0.000498316 0.00214267 25
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7555 5 C 4.60236 38.6586 30.8929 0.00348286 0.00188507 0.00159859 26
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8202 48 C 16.256 38.8819 17.5262 0.000342627 0.00159005 0.00763675 28
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8204 50 C 16.0954 38.829 18.917 -0.00260377 0.00167258 0.00313336 28
8205 51 C 15.5515 39.9082 19.642 0.000325087 -0.00138421 0.00317334 28
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8210 56 C 12.3043 36.1009 31.4514 0.00293163 -0.00399187 0.000276153 28
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8214 60 C 19.0406 36.1324 11.4289 -0.000739081 0.00125175 0.00459118 28
8215 61 C 18.8321 37.1984 10.3339 -0.00213794 0.000595857 0.00154706 28
8216 62 C 18.8429 36.6296 8.86266 -0.00518779 -0.00100443 -0.00373469 28
8217 63 C 18.6495 37.7294 7.77608 -6.67329e-05 0.00237661 0.000314164 28
8218 64 C 18.7873 37.079 6.36982 -0.000867169 0.00135329 0.00274755 28
8219 65 C 18.4769 38.0185 5.17148 0.00378332 -0.000933509 -0.00245554 28
8220 66 C 18.6078 37.2992 3.82796 -0.001738 -0.00103762 0.00111867 28
8221 67 C 18.2208 38.2548 2.67325 -0.00149076 -0.00229772 0.000208233 28
8222 68 C 18.3119 37.4481 1.34644 0.000564857 -0.00115256 -0.000501046 28
8223 69 F 15.6411 39.7843 23.7131 -0.00198118 -0.00066977 -6.0437e-05 28
8224 70 C 15.4933 34.7948 14.2057 -0.0011697 0.000611095 0.000866204 28
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8452 298 H 14.9083 34.9626 46.4595 0.00824466 0.00530092 -0.00565343 28
8453 299 H 15.6232 33.4814 45.8718 -0.00855386 -0.0106366 -0.0126264 28
8454 300 H 12.6746 33.7734 46.6808 0.00600067 0.0119008 -0.0037811 28
8455 301 H 13.9938 32.8747 47.5326 0.000807262 -0.00351139 -0.00206332 28
8456 302 H 13.3842 32.2869 46.0155 -0.0024753 0.0013467 0.000353241 28
8457 1 C 17.3947 33.9339 31.2225 -0.00160153 -0.0020098 0.00158364 29
8458 2 C 17.5609 33.8154 29.8581 -0.002418 0.00275179 0.000374779 29
8459 3 C 16.9778 32.7345 29.2056 -0.00252177 0.000342657 -0.00091772 29
8460 4 C 16.3683 31.7012 29.9652 -0.00587473 -0.00263952 -0.00335522 29
8461 5 C 16.2229 31.7943 31.4008 0.00334883 -0.00715593 -0.00195783 29
8462 6 C 16.7156 32.9558 32.0212 -0.000113807 0.00315212 0.00365325 29
8463 7 C 11.7642 30.2974 30.8319 0.00418654 -0.000421699 0.00135484 29
8464 8 C 11.9613 30.2748 29.4547 0.00456328 0.00337073 0.000279662 29
8465 9 C 13.2171 30.3851 28.9047 -0.00214936 -0.00676115 0.000238067 29
8466 10 C 14.2951 30.4618 29.7862 -0.00043163 0.00254691 0.00251581 29
8467 11 C 14.1629 30.5069 31.2148 0.000951718 0.000415261 0.0041329 29
8468 12 C 12.861 30.4022 31.7409 0.00103791 0.00107803 -0.00151523 29
8469 13 C 17.3846 27.1128 31.5156 0.00155619 0.00201432 0.00238801 29
8470 14 C 17.5446 27.138 30.1237 0.000699812 -0.0011137 0.00162164 29
8471 15 C 17.0727 28.2095 29.404 -0.00338596 -0.00186206 0.00213869 29
8472 16 C 16.4269 29.2583 30.0811 0.0067066 -0.000253119 -2.87119e-05 29
8473 17 C 15.7374 30.4315 29.3421 -0.00353729 -0.00186914 0.00120484 29
8474 18 O 16.6699 28.0744 33.6105 -0.000212825 -0.0014673 0.00319101 29
8475 19 O 12.6421 30.4454 33.0997 -0.000121958 0.000819821 -0.00527045 29
8476 20 O 16.6435 33.1322 33.3962 0.000965017 0.00114372 0.00241699 29
8477 21 C 16.7926 28.1922 32.2194 0.00225931 -0.00193374 -0.00158188 29
8478 22 C 15.9449 30.3648 27.9002 -0.000373305 0.00218727 0.00209708 29
8479 23 C 16.383 30.3823 26.7917 -0.00160042 0.00388385 -0.00139818 29
8480 24 C 17.2051 30.4881 25.6147 -0.000366915 -4.99899e-05 0.00289713 29
8481 25 C 17.1957 31.6969 24.9118 -0.00405887 -0.00154049 0.000520249 29
8482 26 C 18.1216 31.9472 23.9154 0.000119561 -0.00184076 -0.000332315 29
8483 27 C 19.0021 30.9167 23.5224 0.00128293 0.000869496 -0.00227588 29
8484 28 C 19.016 29.6854 24.1557 -0.00175667 -0.00226614 0.000192842 29
8485 29 C 18.115 29.4658 25.2246 -0.00248659 -0.00144615 0.00163846 29
8486 30 C 19.782 31.0941 22.3476 -0.00463192 -0.0059363 0.00332065 29
8487 31 C 20.2682 31.1414 21.2536 0.000563258 0.00244425 -0.00193592 29
8488 32 C 19.1371 27.544 19.1284 -0.000810848 0.00160222 0.00103382 29
8489 33 C 19.4642 27.4222 17.7778 0.00666663 0.00139194 -0.00432934 29
8490 34 C 20.0726 28.4938 17.1015 -0.00038821 0.00570553 0.000563616 29
8491 35 C 20.3084 29.6991 17.7734 0.00108178 -0.00037416 -0.00224477 29
8492 36 C 20.0755 29.7761 19.1551 0.00255252 -0.000123787 -0.000885692 29
8493 37 C 19.4794 28.6978 19.8413 9.75693e-05 0.00189569 -0.000819497 29
8494 38 C 20.635 31.0615 19.8302 0.000109273 0.00127817 0.00234028 29
8495 39 C 24.4915 30.8082 19.7857 -0.00253812 -0.0025659 0.00349584 29
8496 40 C 24.7085 30.8128 18.3784 0.00056298 0.00132152 -0.00271334 29
8497 41 C 23.6717 30.9176 17.4867 -0.00340173 -0.000546168 0.00335299 29
8498 42 C 22.3618 30.9553 18.0222 -0.00355183 0.00458464 -0.0005629 29
8499 43 C 22.1222 30.957 19.4121 0.00175018 0.000293041 0.000106508 29
8500 44 C 23.1955 30.8722 20.3243 0.00233453 0.000450584 0.00208388 29
8501 45 C 18.8147 34.2439 18.7035 0.000139984 -0.00280993 -0.000994166 29
8502 46 C 19.0653 34.1846 17.3273 0.000226535 -0.0016728 -0.00045871 29
8503 47 C 19.8211 33.157 16.7674 -0.00176108 -0.00492655 0.00163935 29
8504 48 C 20.2674 32.1179 17.6054 0.00311815 0.00421436 -0.00167043 29
8505 49 C 21.0724 30.9123 17.1942 0.000806264 -0.00379079 0.0044075 29
8506 50 C 20.0228 32.169 19.011 0.00112968 -0.00115392 3.60281e-06 29
8507 51 C 19.2955 33.2437 19.5305 0.00168293 0.00332211 -0.000550633 29
8508 52 O 23.923 31.1439 16.1468 -0.00126983 0.000702448 0.00378842 29
8509 53 O 20.469 28.3064 15.7557 -6.08478e-05 0.00327381 -0.00138448 29
8510 54 O 19.9727 33.0001 15.4047 -0.0024052 0.00383787 -0.000679507 29
8511 55 C 15.4907 30.5778 31.9822 -3.97963e-05 -0.00345588 0.00564522 29
8512 56 C 16.2615 29.3118 31.4928 0.00110838 -0.00019303 0.00505478 29
8513 57 C 23.5228 30.172 15.1627 0.000542228 -0.00199729 -0.00364479 29
8514 58 C 23.097 30.958 13.9104 -0.0029524 -0.000696085 0.000367839 29
8515 59 C 22.566 30.0751 12.7654 -0.00265225 -9.18976e-06 -0.000724477 29
8516 60 C 22.4328 30.8645 11.436 0.000816174 -0.000600222 0.00165595 29
8517 61 C 21.9137 30.0508 10.2501 -0.00602371 0.000723793 0.00198591 29
8518 62 C 21.8406 30.9754 9.00401 -0.000413044 0.00187386 -0.00520027 29
8519 63 C 21.5207 30.3451 7.64468 0.00014482 -0.00256064 -0.00182612 29
8520 64 C 22.8001 29.9907 6.85979 -0.00144022 -0.00672998 0.000429536 29
8521 65 C 22.8047 30.4659 5.40078 0.000782233 0.00219297 -0.00146176 29
8522 66 C 21.615 29.9685 4.53455 -0.000527065 -0.000948501 0.0021504 29
8523 67 C 21.9114 30.2976 3.04088 0.00501667 0.00231389 0.00065467 29
8524 68 C 20.8008 29.8133 2.1108 0.000719848 -0.0039146 -0.0013234 29
8525 69 F 18.2531 33.1597 23.3529 -0.000847063 -0.000425551 0.000187472 29
8526 70 C 21.0177 27.0493 15.3646 0.00237911 0.00493575 0.00453129 29
8527 71 C 21.7545 27.1086 14.017 -8.49045e-05 0.00538003 -0.00138778 29
8528 72 C 22.0827 25.668 13.559 -0.000437588 0.00176515 0.00326448 29
8529 73 C 22.6418 25.62 12.1153 0.000425306 -0.001955 -0.00160076 29
8530 74 C 21.7858 26.1805 10.9711 -1.76296e-05 0.00307317 0.00251346 29
8531 75 C 22.249 25.6017 9.64599 -0.007636 0.000486376 -0.00121354 29
8532 76 C 21.7454 26.3134 8.36713 1.44566e-05 0.0023539 0.00172759 29
8533 77 C 22.356 25.5995 7.13133 0.000774557 -0.00377559 0.00355475 29
8534 78 C 21.9592 26.251 5.81932 0.00182716 0.00160758 -0.00400835 29
8535 79 C 22.5572 25.5675 4.55853 0.000375188 -0.0017665 0.00683208 29
8536 80 C 22.5058 26.4867 3.28043 -0.000578224 0.000568737 0.00206492 29
8537 81 C 23.2933 25.9629 2.05612 -0.00151299 0.000761658 0.00125619 29
8538 82 C 18.9262 32.2751 14.791 -0.00309785 0.00205734 -0.00365071 29
8539 83 C 19.3761 31.8207 13.3999 -0.00183535 0.000888832 -0.00435388 29
8540 84 C 18.9399 32.778 12.2411 -0.00301227 -0.00273128 -0.00113875 29
8541 85 C 18.6172 32.0757 10.9054 0.00277551 -0.00181658 -0.00105697 29
8542 86 C 18.6051 33.0541 9.68701 0.00168899 -0.00102692 0.00227661 29
8543 87 C 18.3333 32.4117 8.32187 0.00492294 -0.00306457 0.000349609 29
8544 88 C 18.5023 33.5093 7.2254 -0.000636188 0.000629199 -0.0039216 29
8545 89 C 18.877 33.0528 5.7619 0.00176314 -0.000861445 -0.00213613 29
8546 90 C 17.7939 32.3112 4.86386 0.000748928 0.000531428 -0.00433225 29
8547 91 C 18.2381 32.4595 3.40861 -0.00122947 -0.00498225 -0.00119112 29
8548 92 C 17.4934 31.5294 2.42746 0.0032679 -0.00344249 -0.00660483 29
8549 93 C 16.1138 32.0569 2.06258 0.00201289 0.000568428 0.00191588 29
8550 94 C 11.2463 30.2641 33.5748 0.00167397 -0.00167575 0.00260513 29
8551 95 C 11.0877 30.3051 35.1237 -0.00403024 -0.00262889 0.00113168 29
8552 96 C 9.72242 30.9005 35.5155 -0.00109281 -0.0018854 -0.00210203 29
8553 97 C 9.62451 31.4891 36.9348 -0.00197844 -0.00224917 -0.00320589 29
8554 98 C 9.91939 30.5899 38.1473 0.000640287 -0.000865997 -0.00129255 29
8555 99 C 10.1523 31.3407 39.4682 0.00384896 3.43853e-05 -0.000466824 29
8556 100 C 10.2508 30.5348 40.7562 0.000413818 -0.000167928 -0.00225911 29
8557 101 C 10.3349 31.4147 42.0327 0.00382158 -0.00316117 0.00101979 29
8558 102 C 10.5273 30.6438 43.3358 -0.00164725 0.00143325 -0.00213012 29
8559 103 C 10.4328 31.5774 44.5864 -0.00269709 0.000932525 0.000913695 29
8560 104 C 10.4592 30.846 45.9395 0.000797572 0.000916401 0.00189779 29
8561 105 C 10.126 31.7882 47.124 0.00178999 0.00104464 0.00101698 29
8562 106 C 17.2551 34.2873 34.0057 -0.00235874 -0.000853081 -0.000298075 29
8563 107 C 17.1235 34.3832 35.5314 0.00423615 0.0036872 -0.00122344 29
8564 108 C 17.9871 35.4412 36.2083 -0.0024041 0.00404781 0.000517647 29
8565 109 C 17.6038 35.5408 37.7193 0.00106964 0.00125915 0.000846345 29
8566 110 C 18.7212 36.1782 38.5349 0.00248443 -8.04806e-05 -0.00193441 29
8567 111 C 18.2274 36.509 39.9671 0.000344523 0.00294286 0.00319419 29
8568 112 C 18.0826 35.3151 40.9032 -0.00279388 0.0020163 0.00371005 29
8569 113 C 17.9523 35.7862 42.3672 -0.00154998 -0.00522027 0.000697743 29
8570 114 C 18.1725 34.6482 43.3313 0.0016421 -0.00296269 -0.00793159 29
8571 115 C 18.3056 35.0651 44.7906 0.00230696 -0.00256067 -0.00089207 29
8572 116 C 18.6191 33.901 45.6969 -0.00188296 0.0039338 0.000627677 29
8573 117 C 18.8736 34.3317 47.1041 0.00284191 -0.00307636 0.00134809 29
8574 118 C 17.1245 26.8554 34.2793 -6.46506e-05 0.00293621 -0.00241114 29
8575 119 C 17.1171 26.9574 35.7988 0.00144667 -0.00540513 -0.00101759 29
8576 120 C 17.8631 25.8495 36.5324 0.00370685 -0.00152719 -0.00339961 29
8577 121 C 17.711 25.8257 38.0809 -0.00238962 0.00214167 -0.00106136 29
8578 122 C 17.6687 27.1645 38.8315 -9.07827e-05 0.000843433 0.000743322 29
8579 123 C 17.3875 27.0707 40.3668 0.0051122 -0.00412477 -0.00124007 29
8580 124 C 18.2929 26.1344 41.1335 0.00200923 0.0043904 -0.00340868 29
8581 125 C 18.6476 26.6342 42.5847 0.00155598 8.32891e-05 0.00104274 29
8582 126 C 17.6466 26.2432 43.6928 -0.00265486 0.0029195 0.00248862 29
8583 127 C 18.2638 26.413 45.1104 -0.000960072 0.00369807 -0.00322117 29
8584 128 C 17.4655 25.7983 46.316 -0.00439305 0.00133289 0.00270848 29
8585 129 C 16.4329 26.722 46.8161 0.00465367 -0.00478781 -0.00067735 29
8586 130 F 16.3558 32.6751 25.3163 -0.0033733 -0.00408383 0.00455653 29
8587 131 H 17.8431 34.8224 31.6572 0.0060624 -0.00601323 0.00186497 29
8588 132 H 18.0832 34.5833 29.2951 -0.000315055 0.00699177 0.00810775 29
8589 133 H 17.0361 32.729 28.1212 -0.0115931 -0.00288746 -0.00138463 29
8590 134 H 10.7413 30.1966 31.1824 0.0071771 -0.00715992 0.00816064 29
8591 135 H 11.1107 30.1822 28.7858 0.00514938 -0.00893255 0.00123644 29
8592 136 H 13.2969 30.4101 27.822 0.00258756 -0.00997414 0.000523645 29
8593 137 H 17.6992 26.1915 31.9969 0.00333316 0.00176883 0.000759052 29
8594 138 H 18.0677 26.3654 29.5681 -0.00679832 -0.00738267 0.00330807 29
8595 139 H 17.203 28.2381 28.3262 -0.0117575 0.00741645 0.0013547 29
8596 140 H 19.652 28.8783 23.8043 0.00861871 0.00667574 -0.00152335 29
8597 141 H 18.0742 28.5095 25.7378 -0.00166897 8.20704e-05 0.00454983 29
8598 142 H 18.654 26.7257 19.654 -0.00521198 -0.00111504 -0.00725029 29
8599 143 H 19.192 26.5216 17.2353 -0.00425201 -0.0106217 0.021167 29
8600 144 H 19.3373 28.7328 20.9174 0.00428051 -0.00599417 -9.9113e-06 29
8601 145 H 25.3569 30.7508 20.4392 0.00194722 -0.0148461 -0.00351577 29
8602 146 H 25.6858 30.7513 17.9089 0.00120812 0.000472706 -0.00125029 29
8603 147 H 23.0443 30.783 21.3961 0.000622652 -0.00373554 0.00149876 29
8604 148 H 18.1889 35.0355 19.1049 0.00325612 0.00154831 -0.00472089 29
8605 149 H 18.6467 34.9384 16.667 0.000438122 0.00317083 0.00494272 29
8606 150 H 21.192 30.8289 16.1069 -0.0051183 -0.00406295 0.00377416 29
8607 151 H 18.9969 33.3289 20.5712 -0.00147893 -0.00881618 -0.000474218 29
8608 152 H 15.3798 30.683 33.0685 -0.00823054 -0.00745261 0.00518766 29
8609 153 H 24.3655 29.5049 14.9431 0.000812545 -0.000947543 -0.00578642 29
8610 154 H 22.7444 29.4893 15.5251 -0.00633284 0.00241319 -0.0101508 29
8611 155 H 23.9094 31.5818 13.5175 0.00246017 -0.0102662 -0.00361054 29
8612 156 H 22.2979 31.6743 14.1378 -0.00170793 -0.0026337 0.0107205 29
8613 157 H 21.5826 29.6843 13.0545 -0.00322076 0.00311226 0.00156337 29
8614 158 H 23.2443 29.2299 12.5951 0.0005212 -0.00222791 0.0229078 29
8615 159 H 23.3723 31.336 11.1222 -0.00597141 0.00872425 -0.00470135 29
8616 160 H 21.6595 31.632 11.5645 -0.0164045 -0.0195276 0.011559 29
8617 161 H 20.9311 29.6041 10.4463 -0.00751111 0.0104738 0.0166448 29
8618 162 H 22.62 29.2265 10.0916 0.00676582 0.0110197 0.00539617 29
8619 163 H 22.7283 31.6186 8.9617 -0.00160125 0.00571169 0.0270991 29
8620 164 H 21.066 31.7332 9.1747 0.00585101 0.00371924 0.0151498 29
8621 165 H 20.938 31.0347 7.02151 0.00191114 0.00657861 0.00665767 29
8622 166 H 20.9416 29.4303 7.82187 0.0101149 -0.00959309 -0.00547388 29
8623 167 H 22.8946 28.9004 6.93556 -0.00978305 -0.0067117 0.0114597 29
8624 168 H 23.6684 30.4325 7.36397 -0.00633791 -0.0116596 0.0131925 29
8625 169 H 23.7456 30.1621 4.92563 -0.00152443 -0.00690797 -0.000214507 29
8626 170 H 22.7486 31.5612 5.37457 -0.00345181 0.00220354 0.00817402 29
8627 171 H 20.7068 30.5036 4.83831 0.00961294 0.0140802 0.00604569 29
8628 172 H 21.4188 28.8942 4.63821 0.000274614 -0.00212099 -0.00839595 29
8629 173 H 22.7685 29.7272 2.66217 0.00530836 0.00628213 -0.00466735 29
8630 174 H 22.0897 31.3727 2.91493 0.00481113 0.00179152 -0.00408368 29
8631 175 H 19.874 30.1964 2.55535 0.00637887 -0.00627704 0.0125472 29
8632 176 H 20.7621 28.7192 2.04147 0.0138028 -0.00507702 0.00969117 29
8633 177 H 20.8623 30.2793 1.11961 -9.7149e-05 0.0146319 0.00731448 29
8634 178 H 21.7786 26.8137 16.1188 -0.00491398 -0.00557494 0.0085447 29
8635 179 H 20.2205 26.2968 15.3255 0.00420664 0.00333824 -0.00199145 29
8636 180 H 21.1029 27.6596 13.3276 -0.0158618 -0.00981269 0.00141411 29
8637 181 H 22.7081 27.6474 14.0796 0.00277944 0.000969016 -0.0068891 29
8638 182 H 22.8693 25.2242 14.1816 0.0104732 -0.0109496 -0.0194894 29
8639 183 H 21.189 25.0329 13.5967 -0.00267466 0.00484857 0.00222922 29
8640 184 H 23.6408 26.0665 12.0376 -8.28074e-05 -0.000724586 -0.0010375 29
8641 185 H 22.8419 24.5527 11.9598 -0.000243746 -0.00141207 -0.0061355 29
8642 186 H 20.7201 25.9482 11.0883 0.00191105 -0.00539072 0.0032587 29
8643 187 H 21.897 27.2718 10.9631 0.014646 0.00158657 0.00292208 29
8644 188 H 23.3409 25.6156 9.54125 -0.0069348 -0.0180935 0.00385652 29
8645 189 H 21.9143 24.5612 9.55254 -0.00170894 -0.00149936 -0.000273047 29
8646 190 H 20.656 26.1921 8.41055 -0.000813906 0.00401966 -0.0155076 29
8647 191 H 22.0305 27.3708 8.43024 0.00969054 5.69611e-05 -0.00350613 29
8648 192 H 23.448 25.546 7.22028 0.000958901 0.00166047 0.00457772 29
8649 193 H 21.9488 24.5836 7.05659 -0.011928 0.000571769 0.0136247 29
8650 194 H 20.8676 26.2379 5.71158 0.000739035 -0.00192408 0.00747845 29
8651 195 H 22.3211 27.2857 5.86274 -0.00158748 0.00265837 -0.000602106 29
8652 196 H 23.601 25.2905 4.75126 -0.00558094 -0.0316603 -0.00392833 29
8653 197 H 21.9759 24.6505 4.40175 0.00938993 -0.00769666 0.00815627 29
8654 198 H 21.4389 26.5869 3.04591 0.001268 -0.00118953 -0.00702253 29
8655 199 H 22.9127 27.469 3.55047 -0.00539135 0.000433613 0.00982656 29
8656 200 H 23.2855 26.6687 1.21634 -0.00284735 -0.00358742 -0.00238349 29
8657 201 H 24.3573 25.8814 2.31038 -0.00161372 -0.00463489 -6.46304e-05 29
8658 202 H 22.9601 24.9714 1.72551 0.0127677 -0.0065799 0.00882594 29
8659 203 H 18.6876 31.3698 15.3628 0.00787145 0.00401554 0.00402138 29
8660 204 H 18.0788 32.9695 14.734 -0.0111228 -0.00821271 -0.00893178 29
8661 205 H 20.453 31.6663 13.2585 -0.00265629 0.00347266 -0.013683 29
8662 206 H 18.9636 30.8165 13.2427 -0.00396992 -0.00214095 0.0206289 29
8663 207 H 18.073 33.363 12.5722 0.000522782 0.00170591 0.000282842 29
8664 208 H 19.7463 33.5002 12.0635 -0.00377284 -0.000295084 0.00531787 29
8665 209 H 19.334 31.2607 10.7464 0.00649796 0.00294556 -0.00860752 29
8666 210 H 17.6282 31.6086 10.9907 0.00598218 -0.0104709 -0.011372 29
8667 211 H 17.7809 33.7277 9.95225 0.0139358 0.0134834 0.00334584 29
8668 212 H 19.5421 33.6245 9.67688 0.0114263 -0.017066 -0.00075009 29
8669 213 H 19.0995 31.6436 8.15947 -0.00693685 -0.0148019 4.72697e-05 29
8670 214 H 17.3587 31.9082 8.33493 -0.000510105 0.00737511 -0.00371146 29
8671 215 H 17.6328 34.1755 7.16616 -0.00876124 -0.00956775 0.000841329 29
8672 216 H 19.3551 34.1275 7.532 -0.00112714 -0.00758608 0.0140241 29
8673 217 H 19.0825 33.9774 5.20838 -0.00163259 0.000520643 -0.00109294 29
8674 218 H 19.831 32.5132 5.80799 -0.000415353 -0.00376878 0.00914692 29
8675 219 H 17.7785 31.247 5.12979 0.00560543 0.00204928 0.00204838 29
8676 220 H 16.8006 32.7664 4.96091 -0.00255102 -0.00631856 -0.00606668 29
8677 221 H 18.1533 33.4967 3.06159 0.00639093 -0.00367724 0.000862552 29
8678 222 H 19.2977 32.1762 3.38668 0.00222141 0.00811399 -0.00296147 29
8679 223 H 18.0976 31.4789 1.51323 0.0122269 0.00630077 -0.00124047 29
8680 224 H 17.385 30.5274 2.8606 -0.00226523 0.00573651 0.0132794 29
8681 225 H 15.478 32.1296 2.95357 0.00953576 0.0027449 0.00713729 29
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8683 227 H 15.7662 31.4139 1.24455 -0.00197078 -0.0107079 0.012477 29
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8685 229 H 10.8412 29.3106 33.2141 0.00521562 -0.00246239 0.000711199 29
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8687 231 H 11.8402 30.9856 35.5407 -0.0158123 0.00786658 0.0053491 29
8688 232 H 9.49941 31.7346 34.8387 0.0160597 0.00098339 -0.00420876 29
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8690 234 H 10.3762 32.2877 36.9577 -0.00169396 -0.0030554 0.0156204 29
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8692 236 H 9.0346 29.9463 38.2273 0.00706494 -0.00890689 0.00487865 29
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8696 240 H 9.36102 29.8952 40.8079 -0.0015987 0.00372804 0.0111678 29
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8698 242 H 11.1418 32.1552 41.9706 -0.00457845 0.00698979 0.0123964 29
8699 243 H 9.45983 32.0743 42.0822 0.0108457 0.00602293 0.00311653 29
8700 244 H 9.7058 29.9304 43.476 -0.00594616 0.00703046 0.00127708 29
8701 245 H 11.4642 30.0732 43.3397 0.00119508 0.00611484 0.00198596 29
8702 246 H 11.2602 32.2961 44.5378 0.00535493 -0.00729778 0.0166057 29
8703 247 H 9.52528 32.1921 44.5407 -0.00721656 -0.00512071 0.00935366 29
8704 248 H 9.74683 30.0118 45.9544 0.00645459 -0.00386843 0.00454856 29
8705 249 H 11.4584 30.4121 46.0687 0.00346695 0.00251179 -0.0133281 29
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8707 251 H 10.748 32.6842 47.0066 0.00235937 0.00179031 0.00981836 29
8708 252 H 9.07756 32.1037 47.1921 0.00179823 -0.00151228 0.0132829 29
8709 253 H 18.3236 34.2624 33.7585 -0.00560628 0.00769728 -0.0151557 29
8710 254 H 16.8458 35.2153 33.5877 0.00133342 0.0049793 0.00900232 29
8711 255 H 16.0525 34.4943 35.7412 0.00430143 -0.00387722 0.00313639 29
8712 256 H 17.4425 33.4406 35.9929 0.0099578 0.000534664 -0.0116089 29
8713 257 H 19.0503 35.1834 36.1275 0.000187457 0.0159856 -0.00342881 29
8714 258 H 17.906 36.4305 35.7414 0.00528476 0.00220523 -0.00470894 29
8715 259 H 16.6341 36.0446 37.8149 0.00155234 0.00316493 -0.00423247 29
8716 260 H 17.4839 34.5008 38.0471 -0.00412275 0.0013407 -0.00079542 29
8717 261 H 19.607 35.5311 38.5355 -0.0040221 -0.00897268 -0.00629531 29
8718 262 H 19.0204 37.107 38.0338 -0.0156986 0.00115608 -0.0105098 29
8719 263 H 18.993 37.1778 40.3795 -0.00398215 0.00746789 0.00388554 29
8720 264 H 17.3055 37.1018 39.9205 0.00439127 0.00905679 0.00066253 29
8721 265 H 17.2904 34.6432 40.5505 -0.00198551 -0.00702127 0.0191707 29
8722 266 H 19.0304 34.7654 40.8501 -0.00142688 0.00406637 0.00679896 29
8723 267 H 18.6855 36.5648 42.6112 0.00134155 -0.00763489 -0.000284152 29
8724 268 H 16.9408 36.1911 42.4954 0.00064786 0.000271484 0.000646984 29
8725 269 H 17.3609 33.9126 43.2713 -0.0104471 0.00907491 0.00771965 29
8726 270 H 19.1119 34.1701 43.0272 0.0119164 0.0138144 -0.00262285 29
8727 271 H 19.1273 35.7893 44.8535 0.00563644 -0.00740409 0.0112517 29
8728 272 H 17.3923 35.5757 45.1201 0.00573434 0.00705317 -0.00626702 29
8729 273 H 17.786 33.188 45.666 -0.0010144 0.00287336 0.00164877 29
8730 274 H 19.4946 33.3565 45.3224 -0.0140709 -0.00410604 -0.0162063 29
8731 275 H 18.9036 33.4362 47.7371 0.0185941 -0.0037567 -0.000367831 29
8732 276 H 19.8345 34.8548 47.1841 -0.00385263 0.00810705 0.00864646 29
8733 277 H 18.0966 34.9747 47.5355 0.00600806 -0.00145366 0.00465346 29
8734 278 H 16.4726 26.0351 33.9545 -0.00041101 2.8332e-05 0.00564356 29
8735 279 H 18.1636 26.6197 34.0182 -0.000272356 0.00197854 -0.00237298 29
8736 280 H 16.0794 26.9292 36.1534 1.1161e-05 0.00632196 -0.00429359 29
8737 281 H 17.5919 27.9045 36.0836 -0.000967144 -0.00300045 -0.00501027 29
8738 282 H 18.9355 25.929 36.3155 0.00391187 0.000436745 -0.00165335 29
8739 283 H 17.7139 24.8533 36.0981 -0.0105566 0.000751448 -0.00359277 29
8740 284 H 18.505 25.2095 38.5205 0.00672563 0.00703449 -0.0106944 29
8741 285 H 16.7823 25.2822 38.2943 0.00115278 -0.0066984 -0.00813005 29
8742 286 H 16.9688 27.8661 38.3612 -0.0187111 -0.0150387 0.00481023 29
8743 287 H 18.6516 27.6442 38.7464 0.000294032 -0.000508252 -0.00237837 29
8744 288 H 16.3373 26.8294 40.5724 0.00186605 0.0191136 0.00944224 29
8745 289 H 17.62 28.0424 40.8198 -0.017363 0.000745067 -0.000271291 29
8746 290 H 19.2633 26.1152 40.6224 0.00930916 0.00985553 0.0102138 29
8747 291 H 17.9071 25.1083 41.0936 -0.0108691 0.0093096 -0.00530309 29
8748 292 H 18.9258 27.6917 42.6726 -0.00885786 0.00250848 0.00470294 29
8749 293 H 19.563 26.103 42.8731 -0.00666037 -0.0126289 0.00371652 29
8750 294 H 17.3333 25.1947 43.6164 0.00481698 0.000706552 0.00238324 29
8751 295 H 16.7194 26.82 43.5881 0.00370807 0.0123699 -0.00169581 29
8752 296 H 18.4657 27.463 45.3559 -0.0157982 0.00411242 0.00729026 29
8753 297 H 19.2398 25.9123 45.1118 -0.00513613 -0.00443004 0.00541145 29
8754 298 H 18.1374 25.5349 47.1422 0.00443432 0.00236644 -0.00414183 29
8755 299 H 17.0046 24.8557 45.9957 0.0109458 -0.00196875 -0.00977702 29
8756 300 H 15.9206 26.279 47.6791 -0.00272687 0.00848555 0.00175002 29
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8758 302 H 16.9307 27.6562 47.1042 0.0149785 -0.0119328 0.00461116 29
8759 1 C 21.3305 40.7008 31.6114 0.00142793 0.00216684 -0.00264512 30
8760 2 C 21.3964 40.6325 30.228 -0.00137036 0.000889334 0.00121166 30
8761 3 C 20.8546 39.568 29.5156 -0.000189098 0.00121886 0.002553 30
8762 4 C 20.2275 38.5404 30.2447 0.000623635 0.000503699 -0.00314183 30
8763 5 C 20.0975 38.5816 31.6719 0.00177519 -0.00417305 -0.00214616 30
8764 6 C 20.6021 39.7019 32.3686 -0.00166568 0.00118425 0.000489904 30
8765 7 C 15.6403 37.4818 31.0074 -0.00223512 0.00257597 0.00348715 30
8766 8 C 15.8629 37.3534 29.6192 -0.00256547 -0.00166474 0.00716078 30
8767 9 C 17.1538 37.2701 29.1201 -0.00126947 -0.00269058 0.000306151 30
8768 10 C 18.2305 37.2435 30.0052 0.00256662 0.00568218 0.00424618 30
8769 11 C 18.0215 37.3224 31.4326 -0.00152654 -0.00104392 0.000969943 30
8770 12 C 16.6963 37.4609 31.9062 -0.00310872 -0.00237778 -0.00305049 30
8771 13 C 21.4266 34.069 31.9239 -0.00114729 0.00158009 0.00210231 30
8772 14 C 21.4558 33.9722 30.5432 0.00127796 -0.000939788 0.00279131 30
8773 15 C 20.8861 34.9604 29.7551 0.0032049 0.00387341 0.000933811 30
8774 16 C 20.2907 36.0834 30.3487 -0.00212381 -0.000433587 -0.00449419 30
8775 17 C 19.7018 37.2574 29.5935 0.000940688 -0.00268012 0.0049 30
8776 18 O 20.6121 35.043 33.9408 0.00195709 0.00332918 -0.000832654 30
8777 19 O 16.4162 37.5612 33.2559 -0.00114991 0.00045107 -0.0013098 30
8778 20 O 20.6422 39.7483 33.7556 0.00254851 -0.00133164 -0.00299419 30
8779 21 C 20.6702 35.0449 32.5531 -0.00118271 -0.000991179 0.000123983 30
8780 22 C 20.0234 37.2067 28.1635 -0.00262528 -0.00584846 0.00532566 30
8781 23 C 20.4454 37.1934 27.0345 -0.00412086 0.00153246 0.00179942 30
8782 24 C 21.1393 37.1981 25.8068 0.00352646 0.00506419 -0.00066814 30
8783 25 C 20.8925 38.1235 24.7974 0.000948546 0.00127104 -0.00233221 30
8784 26 C 21.7609 38.2044 23.7222 0.00143537 -0.00350383 0.00461586 30
8785 27 C 22.8963 37.3817 23.6547 0.00404062 -0.000814377 0.00279942 30
8786 28 C 23.1658 36.4292 24.6265 -0.0001518 0.00220136 0.00598422 30
8787 29 C 22.2916 36.3517 25.74 -0.00448177 0.00156512 -0.00481631 30
8788 30 C 23.7259 37.4682 22.4685 0.006839 0.00218635 -0.00270918 30
8789 31 C 24.2584 37.5453 21.3608 0.00243685 0.00113154 0.00314679 30
8790 32 C 22.7189 34.3389 18.9336 -0.00144615 3.79105e-05 -0.00205066 30
8791 33 C 22.8533 34.3592 17.5227 -0.00129128 0.00153894 0.0041819 30
8792 34 C 23.4781 35.4832 16.9433 0.00225166 -0.00166004 -0.00215115 30
8793 35 C 24.0087 36.5083 17.7189 -0.00053654 -0.00262152 0.00204862 30
8794 36 C 23.8836 36.4498 19.1358 0.00109099 -0.00445276 0.00150206 30
8795 37 C 23.2107 35.3462 19.7481 6.46605e-05 0.00168797 0.000557507 30
8796 38 C 24.5945 37.5958 19.9 0.000446903 -0.00326399 0.00223874 30
8797 39 C 28.4034 37.6371 19.6524 -0.006308 0.000501616 0.00555514 30
8798 40 C 28.5472 37.7165 18.2218 -0.00153717 0.00208124 0.00337974 30
8799 41 C 27.4209 37.6961 17.391 -0.000553276 -0.000597197 -0.000863582 30
8800 42 C 26.1603 37.5981 18.0068 -0.0025164 0.00125363 -0.00153784 30
8801 43 C 26.0161 37.5299 19.4289 0.00159715 -0.00498466 0.00121789 30
8802 44 C 27.1399 37.5209 20.2357 0.000995846 -0.000219859 -0.0021925 30
8803 45 C 23.0043 41.0494 19.0878 -0.000454083 -0.0025068 -0.00319451 30
8804 46 C 23.197 41.0902 17.685 0.00088251 -0.00287734 -0.00296599 30
8805 47 C 23.874 40.0574 17.0458 0.00221722 -0.001277 0.00466957 30
8806 48 C 24.2781 38.9465 17.7891 0.000780781 -0.0050043 -0.00264252 30
8807 49 C 24.8659 37.6835 17.2283 -0.00204967 0.00101161 0.00181502 30
8808 50 C 24.0492 38.8526 19.1834 -0.000593235 0.00180899 -0.000432728 30
8809 51 C 23.4618 39.9412 19.8419 -0.000277867 -0.000228173 -0.000549315 30
8810 52 O 27.5683 37.6799 16.0141 -0.000434551 -0.00286045 0.00389234 30
8811 53 O 23.7151 35.505 15.5774 -0.00111624 -0.000117564 0.00157285 30
8812 54 O 23.9534 39.9779 15.6499 0.00268004 -7.26615e-05 -0.00207665 30
8813 55 C 19.3422 37.3715 32.2557 -0.000394653 0.00189334 0.00422168 30
8814 56 C 20.1318 36.1134 31.7589 -0.000679078 0.00057773 -0.00281415 30
8815 57 C 27.9942 36.4691 15.3891 -0.00231895 0.00328723 0.00257482 30
8816 58 C 26.9783 36.0424 14.2879 -0.00218639 0.0019822 -0.00125304 30
8817 59 C 27.0866 36.9837 13.029 0.00239966 0.0016878 0.0014576 30
8818 60 C 26.2908 36.5908 11.775 -0.00168659 0.00137172 -0.00145696 30
8819 61 C 26.5119 37.5215 10.6154 0.000635525 -0.00255505 -0.000240912 30
8820 62 C 26.3302 36.8093 9.24716 9.07156e-05 -0.000591774 0.00082946 30
8821 63 C 26.4889 37.7383 8.02624 -0.00085515 -0.000364548 0.00306181 30
8822 64 C 26.3447 36.9073 6.71068 -0.00231627 0.00177107 -0.00146477 30
8823 65 C 26.0786 37.7486 5.45181 -0.00207353 0.00266895 -9.98359e-06 30
8824 66 C 25.8264 36.8799 4.21653 0.00416115 -0.000784221 0.000362414 30
8825 67 C 25.5042 37.6936 2.93969 0.001697 -0.00138795 -0.00216355 30
8826 68 C 25.1231 36.7366 1.79038 0.00129052 0.000158853 0.00292617 30
8827 69 F 21.4946 39.0865 22.7085 -0.000856858 -0.00170227 -0.000923138 30
8828 70 C 23.1169 34.6603 14.6331 -0.00186309 0.00428389 -0.00274427 30
8829 71 C 23.5236 35.1695 13.2684 -0.00371122 -0.000419263 0.00300474 30
8830 72 C 22.7085 34.503 12.1508 -0.000243993 -0.00185872 -0.00202255 30
8831 73 C 23.224 34.7675 10.7062 -0.00274332 -0.000828797 0.00121709 30
8832 74 C 22.1634 34.3234 9.68448 -0.00448032 -0.000916722 0.006085 30
8833 75 C 22.6055 34.1147 8.22083 -0.000485026 0.000738298 0.000845465 30
8834 76 C 22.6999 35.462 7.48117 0.000332066 -0.00430339 0.00199124 30
8835 77 C 23.0353 35.2796 6.00274 -0.00276941 -0.00138917 0.00188077 30
8836 78 C 21.9372 34.6731 5.14843 0.00260387 -0.00337849 0.000247042 30
8837 79 C 22.1295 35.1157 3.70632 -0.00259068 -0.0031668 0.00316559 30
8838 80 C 21.1752 34.5039 2.67116 9.13479e-05 0.00164976 0.00413156 30
8839 81 C 21.5253 34.9936 1.27847 -0.00217045 -0.00137905 0.00647415 30
8840 82 C 25.1861 40.2835 14.938 -0.00123834 0.00271261 0.00255542 30
8841 83 C 24.8967 40.3568 13.4467 -0.000963185 0.00388862 -0.00071181 30
8842 84 C 25.943 40.9265 12.5117 -0.00219841 -0.000922643 -0.00261561 30
8843 85 C 25.3438 41.3859 11.1467 -0.000750159 0.00121082 -0.00293087 30
8844 86 C 26.3007 41.5384 9.93294 -0.00177835 -0.00203145 0.00365151 30
8845 87 C 25.5767 42.3235 8.80646 0.00293267 0.00581813 -0.00166974 30
8846 88 C 26.2819 42.3582 7.44077 0.000314188 -0.000763146 -0.000336248 30
8847 89 C 25.931 41.1228 6.54666 -0.00288245 0.0038004 -0.00126142 30
8848 90 C 25.542 41.4493 5.11032 0.00230736 0.00103153 0.00080567 30
8849 91 C 26.7126 42.1175 4.36268 0.000542917 0.00276852 -0.0012921 30
8850 92 C 26.4327 42.4809 2.88246 0.000954013 0.0019445 0.0067726 30
8851 93 C 25.9395 41.3615 1.94691 -0.00211625 -0.00383137 0.00123576 30
8852 94 C 15.1094 37.09 33.8107 0.0011547 -0.00257736 -0.00329509 30
8853 95 C 15.0063 37.2265 35.3375 0.00343665 -0.000863825 0.00496295 30
8854 96 C 13.6624 36.784 35.9676 -0.000903652 0.000939298 0.00314198 30
8855 97 C 13.7821 36.3923 37.4377 -0.00394709 -0.00508487 0.00244396 30
8856 98 C 14.021 37.5519 38.4211 -0.00357984 -6.64294e-05 0.00104863 30
8857 99 C 14.1344 36.9928 39.865 -0.00100228 0.00198773 -0.00415914 30
8858 100 C 14.1206 38.119 40.8673 -0.00204848 -0.00147912 -0.00143775 30
8859 101 C 14.0874 37.5559 42.282 -0.00117443 0.00158917 0.00191458 30
8860 102 C 14.0044 38.6818 43.3195 -0.00224559 0.00168895 -0.000272047 30
8861 103 C 14.3049 38.0963 44.7165 0.00150878 -0.00105222 0.00431375 30
8862 104 C 14.329 39.1614 45.8167 0.00618057 0.00139225 0.00186339 30
8863 105 C 14.6654 38.4774 47.1734 -0.000806522 0.00119784 -0.000161188 30
8864 106 C 21.3298 40.8475 34.3887 0.000104286 -0.00530177 0.003417 30
8865 107 C 21.2405 40.8293 35.9454 -0.0013851 0.000822797 -0.00446533 30
8866 108 C 22.0691 42.0018 36.5028 0.00277324 0.00469357 -0.00142705 30
8867 109 C 21.6029 42.6304 37.8664 -0.000574512 0.00080118 -0.00159882 30
8868 110 C 21.6797 41.6598 39.0959 -0.00208955 0.000726493 -0.000429642 30
8869 111 C 21.7029 42.3877 40.4448 -0.00354271 0.000661615 0.00214328 30
8870 112 C 21.587 41.4435 41.6444 -0.00332659 9.60175e-05 -0.00274485 30
8871 113 C 21.8184 42.1675 42.9894 -0.000668666 -0.00297949 0.000863801 30
8872 114 C 21.7378 41.2759 44.2475 0.0011408 -0.00246402 -0.000682537 30
8873 115 C 21.8765 42.131 45.5278 0.00109721 0.00179659 -0.000472957 30
8874 116 C 21.7246 41.226 46.7889 7.62397e-06 0.00127968 0.00164994 30
8875 117 C 21.8803 42.0564 48.0702 0.00135225 0.00160659 0.004597 30
8876 118 C 20.6336 33.7713 34.6792 -0.00334387 0.000810625 -0.00103031 30
8877 119 C 21.66 33.6673 35.8136 -0.00307089 -0.00020166 -0.00360293 30
8878 120 C 21.0615 33.0674 37.0813 0.00292027 -0.00048651 0.0020109 30
8879 121 C 21.9906 33.1967 38.3178 -0.00212336 0.00478886 0.00178383 30
8880 122 C 21.247 32.6218 39.5363 -0.00189272 -0.0013395 0.00262741 30
8881 123 C 22.0646 32.3658 40.7977 0.00181705 -0.00204156 -0.00247255 30
8882 124 C 22.395 33.6326 41.5672 -0.00108503 -0.000152226 0.00297333 30
8883 125 C 22.0151 33.4696 43.0467 -0.00344551 0.000374661 -0.000973764 30
8884 126 C 22.8418 32.394 43.7432 -0.000290824 -0.000284725 0.000647075 30
8885 127 C 22.239 32.0444 45.0875 0.00315639 -0.000861186 0.00221103 30
8886 128 C 22.2745 33.1896 46.141 0.0010324 0.00383464 -0.000933698 30
8887 129 C 21.7254 32.7359 47.4974 -0.00173661 0.00254995 0.00128387 30
8888 130 F 19.8341 38.9554 24.8696 -0.00020236 -0.00304 0.00295578 30
8889 131 H 21.8826 41.5104 32.0794 -0.00391342 0.00285127 0.00246761 30
8890 132 H 21.9291 41.424 29.7091 -0.00782281 0.00233481 -0.00319463 30
8891 133 H 20.8928 39.5656 28.4303 -0.00654098 -0.00382492 0.00233085 30
8892 134 H 14.6386 37.6997 31.366 -0.00353438 0.0147711 -0.00750276 30
8893 135 H 15.0069 37.3532 28.9509 0.0103168 0.00453638 -0.0092963 30
8894 136 H 17.3255 37.191 28.0507 0.0181395 -0.00140168 0.00331549 30
8895 137 H 21.9115 33.2684 32.4746 0.00173146 0.00224181 0.000528166 30
8896 138 H 21.8896 33.1091 30.0469 0.00213552 0.00270614 -0.00279392 30
8897 139 H 21.0328 34.8653 28.6833 -0.0122863 -0.00648808 -0.000243679 30
8898 140 H 24.074 35.8379 24.5554 -0.00390947 -0.00340808 0.0047419 30
8899 141 H 22.5133 35.703 26.5823 0.0211714 0.00782154 -0.00676585 30
8900 142 H 22.2304 33.4951 19.412 0.00508621 -0.01052 -0.013982 30
8901 143 H 22.5031 33.5533 16.8846 -0.00481479 0.000751185 0.00711989 30
8902 144 H 23.1497 35.2966 20.8313 0.00117147 -0.00272859 0.000408771 30
8903 145 H 29.257 37.6747 20.3227 -0.00734699 0.0141823 0.0061164 30
8904 146 H 29.5305 37.7609 17.7629 -0.00134411 -0.00222049 0.0033709 30
8905 147 H 27.0889 37.4715 21.3194 0.0132493 0.00958371 -0.00114884 30
8906 148 H 22.4738 41.8535 19.5893 -0.0156767 -0.00689363 -0.0122516 30
8907 149 H 22.7793 41.9187 17.1206 0.00686889 0.00727747 0.00750236 30
8908 150 H 25.0524 37.652 16.1477 -0.00156082 -0.0095432 0.00219178 30
8909 151 H 23.315 39.9975 20.9165 -0.0278517 0.00285201 -0.00445283 30
8910 152 H 19.1509 37.3527 33.3357 0.00964775 4.87739e-05 0.00596036 30
8911 153 H 28.9512 36.6168 14.8736 -0.00532858 0.00654273 -0.00209353 30
8912 154 H 28.1187 35.6514 16.1097 0.0026787 -9.31897e-05 -0.00211451 30
8913 155 H 25.9736 36.0328 14.7283 -0.00153348 -0.00512041 0.000113074 30
8914 156 H 27.1325 34.9875 14.0292 -0.00330366 0.00393864 -0.00985892 30
8915 157 H 28.1542 37.1002 12.8054 0.000312244 -0.00235646 -0.010473 30
8916 158 H 26.7625 37.9728 13.3756 -0.00797806 -0.000308065 -0.00258505 30
8917 159 H 25.2312 36.5889 12.0589 -0.00295519 0.00122898 -0.00623204 30
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8919 161 H 27.4962 38.004 10.6587 -0.00197193 0.00274083 0.000312669 30
8920 162 H 25.832 38.3727 10.744 0.0136522 0.0101804 -0.0156568 30
8921 163 H 25.3421 36.3347 9.20443 0.0084958 -0.0166665 -0.0148221 30
8922 164 H 27.0924 36.0228 9.18356 -0.00705494 -0.00768929 0.00316223 30
8923 165 H 27.445 38.2728 8.08671 0.000440865 -0.00353534 0.0107013 30
8924 166 H 25.6827 38.4821 8.03831 -0.0112 -0.0118751 0.0208578 30
8925 167 H 25.5906 36.1154 6.79853 -0.0062265 0.00524821 -0.0037794 30
8926 168 H 27.2977 36.3736 6.60883 0.00245563 0.00612664 0.0200587 30
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8928 170 H 25.2121 38.3625 5.7268 -0.00630455 -0.00681149 0.00789378 30
8929 171 H 25.0672 36.1064 4.38572 -0.00226227 0.00627806 0.00373965 30
8930 172 H 26.7423 36.3157 4.00196 0.00989023 0.00727713 0.00362585 30
8931 173 H 26.4704 38.1361 2.66778 0.00393414 -0.00525241 -0.000549674 30
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8934 176 H 25.0781 37.3169 0.860484 0.0041835 -0.00397597 0.000211365 30
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8937 179 H 22.0272 34.6605 14.7588 -0.000976268 0.00578024 0.0049784 30
8938 180 H 23.3739 36.2562 13.2769 -0.000235845 3.22644e-05 0.00670668 30
8939 181 H 24.581 34.8849 13.2029 -0.00499523 -0.0058038 0.00550113 30
8940 182 H 22.7476 33.4311 12.3808 -0.000500172 -0.00122644 0.000985783 30
8941 183 H 21.6754 34.8677 12.2052 0.00274669 0.0055559 0.00507025 30
8942 184 H 23.4161 35.8423 10.6001 -0.00383889 -0.00056813 0.00186093 30
8943 185 H 24.1657 34.223 10.5638 0.00481873 0.00940732 0.012089 30
8944 186 H 21.6525 33.4106 10.015 -0.00164504 -0.0115395 -0.0186261 30
8945 187 H 21.3996 35.1089 9.63059 -0.00131599 0.00269616 0.0141515 30
8946 188 H 23.5579 33.5739 8.15786 -0.00412338 -0.005595 0.000386005 30
8947 189 H 21.8036 33.5506 7.72871 -0.00155609 0.00927358 -0.00721445 30
8948 190 H 21.7553 36.0179 7.52701 0.000385861 -0.00268532 -0.0160457 30
8949 191 H 23.4629 36.1205 7.9145 0.00339301 -0.0066269 0.000125504 30
8950 192 H 23.253 36.3017 5.66905 -0.00477997 0.00195134 0.0107541 30
8951 193 H 23.9607 34.6983 5.90717 -0.000761367 0.00289126 -0.00462149 30
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8958 200 H 20.6907 34.7128 0.624327 0.0122886 -0.00493497 -0.0104187 30
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8960 202 H 22.4553 34.5851 0.864237 -0.00245637 -0.00483998 0.00926083 30
8961 203 H 25.5325 41.2748 15.2556 0.0023678 0.0055169 -0.0101235 30
8962 204 H 25.8771 39.451 15.1192 -0.0101144 -0.00766391 -0.0110745 30
8963 205 H 24.6202 39.3496 13.1111 -0.00255532 0.00250765 0.00474512 30
8964 206 H 24.0598 41.0469 13.2832 -0.00467554 -0.00132336 -0.00367386 30
8965 207 H 26.3387 41.8134 13.0219 -0.00814612 0.00327433 -0.00527943 30
8966 208 H 26.699 40.1391 12.4028 -0.0141916 -0.0147558 0.0137148 30
8967 209 H 24.5695 40.6556 10.8811 0.00402868 0.000342339 -0.0144039 30
8968 210 H 24.7937 42.3271 11.269 0.0118307 0.00831331 -0.00108404 30
8969 211 H 27.2022 42.0681 10.2649 0.00977006 -0.0129335 -0.0103581 30
8970 212 H 26.6027 40.5378 9.59972 0.004476 0.000253303 0.00246402 30
8971 213 H 24.5181 42.0489 8.71987 0.00751892 -0.0140103 0.00543126 30
8972 214 H 25.5454 43.3719 9.12809 -0.00293304 0.00335084 0.00577795 30
8973 215 H 25.9285 43.2513 6.9108 -0.00215141 9.37082e-05 0.00275377 30
8974 216 H 27.3702 42.419 7.56467 0.000411984 0.00039398 -0.00177092 30
8975 217 H 26.8099 40.4688 6.60379 -0.00511204 5.29204e-05 -0.0103136 30
8976 218 H 25.1498 40.5535 7.06553 0.00310389 0.00228008 0.0061353 30
8977 219 H 25.2566 40.5389 4.56891 0.0105701 0.00222256 -0.00557846 30
8978 220 H 24.7187 42.1701 5.03312 0.00210784 -0.000254615 -0.00927378 30
8979 221 H 26.9547 43.0858 4.81794 0.0130159 0.000213283 -0.00250979 30
8980 222 H 27.6146 41.4956 4.41713 -0.00137005 -1.15346e-05 -0.0013925 30
8981 223 H 25.6683 43.2675 2.86304 0.00938322 0.00988832 -0.0030962 30
8982 224 H 27.3309 42.9268 2.43787 0.00245058 0.00459668 0.0124576 30
8983 225 H 26.6877 40.569 1.82249 0.0109585 0.00890904 -0.00125899 30
8984 226 H 25.0081 40.8981 2.29497 -0.00222287 0.00114536 0.0075613 30
8985 227 H 25.7451 41.7532 0.94083 -0.00998299 0.0167966 0.0108039 30
8986 228 H 14.2978 37.7029 33.3995 -0.000655094 0.00702161 0.0145662 30
8987 229 H 14.9287 36.0481 33.5187 -0.0122686 -0.00520719 0.0144201 30
8988 230 H 15.8249 36.6718 35.8124 0.0138193 0.00383252 -0.00744006 30
8989 231 H 15.197 38.2703 35.6159 -0.0128807 0.00524788 -0.00674503 30
8990 232 H 12.8624 37.5302 35.8868 0.00287305 0.00556448 0.00837902 30
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8992 234 H 12.8039 35.9878 37.7255 -0.00567467 -0.00238594 0.000392102 30
8993 235 H 14.5396 35.6107 37.5745 -0.00177348 -0.00340318 1.86137e-05 30
8994 236 H 14.9222 38.1208 38.1611 -0.00351329 0.00446147 0.0111807 30
8995 237 H 13.1342 38.1916 38.3328 0.00165372 0.00733183 0.00230007 30
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8998 240 H 15.0485 38.6865 40.7246 0.00668424 -0.0139289 0.00572708 30
8999 241 H 13.2682 38.7927 40.7159 -0.00196633 -0.000667012 0.001697 30
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9003 245 H 13.0227 39.171 43.3028 -0.0035589 -0.00143077 -0.014108 30
9004 246 H 13.5513 37.3356 44.9549 -0.00861065 0.00743552 -0.000617259 30
9005 247 H 15.2697 37.5742 44.725 -0.00106395 -0.0059105 -0.0028154 30
9006 248 H 15.1204 39.9138 45.712 0.0112851 -0.00378404 0.00318369 30
9007 249 H 13.3844 39.7081 45.9268 0.010617 0.0091911 0.00135607 30
9008 250 H 14.0245 37.6276 47.4387 -0.00155025 9.88682e-07 -0.00581091 30
9009 251 H 15.6901 38.086 47.1608 -0.00444369 -0.00828221 -0.00186519 30
9010 252 H 14.593 39.2314 47.9669 -0.00305845 0.00049884 0.000297253 30
9011 253 H 22.3804 40.852 34.0729 0.00115505 -0.0030622 0.00694206 30
9012 254 H 20.883 41.7729 34.0046 0.000306955 -0.006832 -0.000514009 30
9013 255 H 20.1943 40.9816 36.2382 -0.000431816 -0.0125893 0.00583786 30
9014 256 H 21.643 39.9167 36.4022 -0.00527715 0.00158024 0.000480451 30
9015 257 H 23.1051 41.6467 36.5665 0.00515926 0.0109172 -0.00556247 30
9016 258 H 22.0758 42.8285 35.7818 -0.0104179 0.00440481 -0.00188447 30
9017 259 H 22.2691 43.4745 38.0835 0.0031606 -0.00103487 -0.00592267 30
9018 260 H 20.6076 43.0853 37.7892 -0.00464964 -0.00877876 -0.00534768 30
9019 261 H 20.8171 40.9876 39.0093 0.00497343 -0.0101598 0.0140504 30
9020 262 H 22.5675 41.0302 38.959 -0.00903996 -0.0111799 0.00933689 30
9021 263 H 22.6371 42.9627 40.4484 -0.000453235 -0.00431277 -0.00271347 30
9022 264 H 20.9038 43.1363 40.5115 0.0136703 0.0191137 0.00157658 30
9023 265 H 20.6299 40.908 41.6209 9.47114e-06 -0.00637149 0.00841377 30
9024 266 H 22.3054 40.6205 41.5453 -0.00668625 -0.00267198 -0.00416932 30
9025 267 H 22.8161 42.6229 42.9645 0.00324324 -0.0120427 -0.00825029 30
9026 268 H 21.1189 43.0103 43.0506 -0.0031552 -0.00399981 -0.0133269 30
9027 269 H 20.8223 40.6717 44.235 0.00309701 -0.00576031 0.0162127 30
9028 270 H 22.5635 40.5564 44.1844 -0.0034675 -0.00757023 -0.00276072 30
9029 271 H 22.8231 42.685 45.549 -0.00274049 0.00882514 -0.0125841 30
9030 272 H 21.1027 42.9071 45.5758 -0.00384488 -0.00210255 -0.0176242 30
9031 273 H 20.7284 40.7673 46.8165 -0.00355252 0.00929087 0.0060815 30
9032 274 H 22.406 40.3669 46.7556 0.00358813 0.00408435 0.0027822 30
9033 275 H 22.9154 42.371 48.2519 0.00354289 0.00820955 -0.0196713 30
9034 276 H 21.2425 42.9433 47.9697 -0.00602521 -0.00414975 0.000562437 30
9035 277 H 21.6503 41.5533 49.0174 0.0203192 -0.00634393 0.00500927 30
9036 278 H 19.6584 33.5924 35.1485 -0.00782083 0.00968835 -0.0070205 30
9037 279 H 20.7887 32.8918 34.0421 0.0101679 0.00928394 -0.00943622 30
9038 280 H 22.0863 34.6523 36.0407 -0.0101992 0.000726589 0.00569704 30
9039 281 H 22.5065 33.0377 35.513 -0.00145764 0.000275925 -7.09443e-05 30
9040 282 H 20.8248 32.0004 36.9865 0.00622659 -0.00137407 0.00371716 30
9041 283 H 20.1203 33.5931 37.2843 0.000748451 0.00286183 -0.0166761 30
9042 284 H 22.2483 34.2581 38.4191 -0.01003 0.00608702 0.00828348 30
9043 285 H 22.8817 32.5764 38.161 -0.0115743 -0.00982058 0.00565274 30
9044 286 H 20.7986 31.6752 39.2102 -0.00439204 -0.00272479 0.0101107 30
9045 287 H 20.3738 33.2476 39.7586 0.000342366 0.000766107 0.00545378 30
9046 288 H 22.9336 31.7573 40.5184 -0.000706953 0.00085977 -0.0167442 30
9047 289 H 21.4112 31.7582 41.4359 0.00250647 -0.000730707 -0.000517763 30
9048 290 H 21.8861 34.5059 41.1409 -0.0024778 -0.000371796 0.00418599 30
9049 291 H 23.4793 33.7948 41.5292 -0.00186871 0.00176499 -0.0105956 30
9050 292 H 20.9571 33.1976 43.1474 -0.00311409 0.00551811 0.0164813 30
9051 293 H 22.1868 34.4211 43.565 -0.00123392 0.00130364 -0.00340964 30
9052 294 H 23.8758 32.7392 43.8658 0.00330951 -0.0189815 0.0227791 30
9053 295 H 22.9305 31.48 43.143 0.00186524 -0.00718586 0.0114654 30
9054 296 H 22.8225 31.211 45.4979 -0.000889977 -0.00661931 -0.00377594 30
9055 297 H 21.203 31.7794 44.8425 0.00612506 -0.00744718 -0.00321157 30
9056 298 H 21.715 34.0512 45.7564 0.00244152 0.00752851 0.00530547 30
9057 299 H 23.3045 33.5646 46.1851 -0.00142479 0.011303 -0.00650166 30
9058 300 H 22.3018 31.8735 47.8542 -0.00464059 0.00212909 0.00495418 30
9059 301 H 20.6862 32.4038 47.3828 0.000159758 0.000269469 -0.00931444 30
9060 302 H 21.7518 33.5652 48.2149 -0.0174118 0.00735516 -0.00367997 30
9061 1 C 25.4111 33.8587 31.2916 -0.00231202 -0.000467364 0.000564044 31
9062 2 C 25.5616 33.8367 29.8869 0.00233444 0.00392498 -0.000774258 31
9063 3 C 24.954 32.8067 29.1484 -0.00101397 0.00270531 0.00245195 31
9064 4 C 24.2481 31.7906 29.8215 -0.00265934 0.00235525 0.00331583 31
9065 5 C 24.0168 31.8882 31.2313 -0.00282298 0.00161159 3.8623e-05 31
9066 6 C 24.6191 32.9395 31.9449 -0.00132074 -0.000394335 -0.000337929 31
9067 7 C 19.5123 30.6443 30.645 0.00600774 -0.00322458 -0.00172335 31
9068 8 C 19.7156 30.6465 29.2683 -0.000306842 0.00072278 -0.00425355 31
9069 9 C 21.0241 30.6253 28.7539 0.00351465 -0.00509794 -0.00466306 31
9070 10 C 22.1372 30.5975 29.6343 -4.95144e-05 -0.000952474 -0.00453324 31
9071 11 C 21.8988 30.6686 31.0216 -0.0014112 -0.0012104 0.0044682 31
9072 12 C 20.5821 30.6623 31.5521 0.00255563 0.000688225 -0.00636485 31
9073 13 C 25.2663 27.3841 31.4735 -0.000645145 0.0029498 -0.00184365 31
9074 14 C 25.4048 27.3284 30.0868 0.00140245 -0.004136 0.000382039 31
9075 15 C 24.8727 28.3236 29.2626 0.00298141 0.00100373 8.92957e-05 31
9076 16 C 24.1821 29.383 29.8459 -0.00398009 -0.00157462 -0.00258267 31
9077 17 C 23.5953 30.5907 29.1635 0.00225078 0.00272934 -0.00309605 31
9078 18 O 24.3824 28.4546 33.4838 -0.00225388 -0.00335021 0.00221672 31
9079 19 O 20.332 30.6503 32.926 0.00158036 0.00124449 0.00328502 31
9080 20 O 24.3846 33.053 33.2914 0.00128826 -0.00413689 -0.00243531 31
9081 21 C 24.5551 28.4178 32.1042 0.00360601 -2.02005e-05 -0.00188859 31
9082 22 C 23.8474 30.5713 27.7276 -0.00466796 0.000481539 5.96364e-05 31
9083 23 C 24.3087 30.5593 26.6136 -0.00220005 -0.0033632 -0.00426615 31
9084 24 C 25.12 30.6205 25.4441 -0.000664135 0.000484044 -0.000511214 31
9085 25 C 25.0225 31.7313 24.5932 -0.00366284 -0.00206399 -6.76916e-05 31
9086 26 C 25.9396 31.8873 23.5461 -0.00022949 0.00207164 -0.00248091 31
9087 27 C 26.9124 30.8983 23.3052 0.00129787 -0.000932518 0.000609537 31
9088 28 C 27.028 29.8094 24.1735 0.00486713 -0.00126869 0.00101511 31
9089 29 C 26.148 29.6918 25.2969 -0.000354533 -0.000643023 0.00450431 31
9090 30 C 27.6883 30.9027 22.116 -0.00160268 0.00402433 -0.00255409 31
9091 31 C 28.1724 30.9234 21.0116 0.000899501 -0.00332834 -0.0020504 31
9092 32 C 27.6051 27.1738 19.0905 0.000519511 0.000418546 0.00502389 31
9093 33 C 27.935 27.0463 17.7507 -0.00258031 -0.00107919 0.00182141 31
9094 34 C 28.2165 28.1676 16.9254 -5.74295e-05 0.000654304 0.00257592 31
9095 35 C 28.3087 29.4104 17.5758 -0.00154263 -0.00597722 0.0041749 31
9096 36 C 28.0558 29.5243 18.972 -0.000638884 -0.000614191 0.00288853 31
9097 37 C 27.6487 28.3932 19.7021 0.00326514 -0.00162522 -0.00378662 31
9098 38 C 28.4689 30.8819 19.5858 -0.00247181 0.00131876 -0.00249072 31
9099 39 C 32.2992 31.0783 19.3842 -0.00184926 -0.000609472 0.0046101 31
9100 40 C 32.4078 31.2196 17.9865 0.00129593 0.00256356 -0.00132517 31
9101 41 C 31.3157 31.2024 17.118 -0.000330475 -0.00126732 -0.00385365 31
9102 42 C 30.0821 30.9516 17.7058 0.00320162 -0.00332333 -4.13872e-05 31
9103 43 C 29.9309 30.9844 19.1437 -0.00167299 -0.000380733 0.00241921 31
9104 44 C 31.0178 30.997 19.9721 6.87878e-05 0.000479884 -0.00342071 31
9105 45 C 26.4307 33.9714 18.4435 -0.00307114 -0.000215947 -0.00373282 31
9106 46 C 26.5571 33.8143 17.0547 -0.00138163 -0.00584731 -0.00285322 31
9107 47 C 27.2808 32.7518 16.503 0.00258629 -0.00127734 0.00103908 31
9108 48 C 27.8889 31.8376 17.355 -0.000219592 -0.00462759 0.00171185 31
9109 49 C 28.8105 30.7269 16.9359 7.23005e-05 0.00108543 0.00362041 31
9110 50 C 27.7273 31.9384 18.757 8.46523e-05 -0.000704207 -0.00245023 31
9111 51 C 26.9957 33.0292 19.2923 -0.00237639 -0.0066164 0.00458907 31
9112 52 O 31.466 31.5659 15.767 0.000509872 -0.00481812 -0.00285661 31
9113 53 O 28.5905 28.046 15.6104 0.000499204 0.000232361 -0.00303624 31
9114 54 O 27.4574 32.6588 15.127 -0.00336663 0.000183354 -0.00190172 31
9115 55 C 23.2278 30.6761 31.8033 0.00225744 0.000904545 0.00148678 31
9116 56 C 24.0063 29.4207 31.293 0.00452207 0.000116087 -0.0008789 31
9117 57 C 31.149 30.7404 14.6366 0.00195943 -0.00326504 -0.000188873 31
9118 58 C 30.4957 31.638 13.5173 0.00102302 -0.000760436 -0.0016396 31
9119 59 C 30.4411 31.0986 12.0473 0.000217407 -0.000585486 -0.000294897 31
9120 60 C 29.7963 29.6778 11.7726 0.00115978 -0.00225507 -0.000620237 31
9121 61 C 29.3261 29.4295 10.2825 -0.000812782 0.00252206 5.18132e-05 31
9122 62 C 30.2818 29.9638 9.1757 0.000474467 -0.0020895 0.00316914 31
9123 63 C 29.6179 29.7654 7.78011 0.00101707 -0.00127275 0.000920072 31
9124 64 C 30.5482 30.1732 6.63841 -0.00450853 -0.000992818 -0.00100608 31
9125 65 C 29.8076 30.1237 5.31564 -0.000321729 0.000642991 -0.00456628 31
9126 66 C 30.7374 30.3212 4.09518 0.0031485 0.00109175 -0.00179588 31
9127 67 C 29.9023 30.3144 2.7813 -0.00347979 5.93013e-05 -0.00653481 31
9128 68 C 30.7678 30.4609 1.51941 -0.00304298 -0.000392399 0.00105129 31
9129 69 F 25.8758 32.9991 22.7487 -0.00219451 -0.00129636 -0.00187385 31
9130 70 C 29.0821 26.7736 15.1621 0.000824158 0.0029905 0.00466576 31
9131 71 C 29.4709 26.6778 13.6943 -0.000186666 -0.0024774 -0.00216868 31
9132 72 C 30.1131 25.2991 13.3848 -0.00215886 -0.000857893 -0.0032206 31
9133 73 C 30.201 24.8727 11.8963 -0.00181593 -0.00461111 -0.00191989 31
9134 74 C 30.0735 25.8794 10.7544 -0.00316477 0.00013333 -0.00151338 31
9135 75 C 30.2733 25.1793 9.40705 -0.00144067 -0.00089059 0.000253176 31
9136 76 C 29.978 26.1305 8.20794 0.00132257 -0.00245271 -0.0014669 31
9137 77 C 30.2926 25.4543 6.85119 0.00224575 -0.00198321 0.00657679 31
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9139 79 C 30.4049 25.5693 4.33471 0.00131734 -0.00355972 -0.000796816 31
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9362 302 H 24.9433 27.8491 46.828 -0.00119336 0.0087457 0.0134839 31
9363 1 C 29.2267 40.8586 31.4187 -0.00190085 0.00283962 -0.00324207 32
9364 2 C 29.2032 40.8895 30.0309 0.00225287 -0.00250938 0.00140298 32
9365 3 C 28.5532 39.8414 29.3482 0.00242779 -0.000877465 -0.000105014 32
9366 4 C 28.0062 38.7729 30.0275 -0.00104548 0.00195522 -0.00118895 32
9367 5 C 27.9381 38.7389 31.4361 0.000479403 -0.000368631 0.00437338 32
9368 6 C 28.5405 39.8401 32.1425 -0.00251206 0.00127152 -0.000851711 32
9369 7 C 23.4571 37.2883 30.9413 -0.00312745 -0.00343255 0.00162276 32
9370 8 C 23.6303 37.1506 29.5454 0.00031991 0.000385988 0.000719636 32
9371 9 C 24.9109 37.2541 28.9949 -0.000679541 -0.00135141 0.00021753 32
9372 10 C 26.0303 37.4257 29.8394 0.00196043 -0.000391329 -0.000698237 32
9373 11 C 25.8641 37.4252 31.2672 0.000783785 0.00251147 0.00117081 32
9374 12 C 24.5605 37.4235 31.8188 0.000626063 -0.000331059 -0.000539765 32
9375 13 C 29.1672 34.1303 31.45 -0.000172204 0.0061556 -0.00102708 32
9376 14 C 29.2356 34.1104 30.0595 0.00100984 0.00117959 -0.00321498 32
9377 15 C 28.7802 35.2312 29.3752 0.00147528 0.00395057 0.0026961 32
9378 16 C 28.1193 36.251 30.0685 -0.00134628 0.00411512 -0.00029543 32
9379 17 C 27.4804 37.4982 29.3584 0.00452014 -0.00187605 0.00180505 32
9380 18 O 28.4487 35.0183 33.6029 0.00123278 -0.0014519 0.00216151 32
9381 19 O 24.3189 37.4711 33.1626 0.00136224 0.00174079 0.00145996 32
9382 20 O 28.4764 39.954 33.5413 0.000704685 -0.00120719 -0.00116926 32
9383 21 C 28.5096 35.1216 32.206 -0.00563609 -0.00379698 0.00506316 32
9384 22 C 27.7475 37.5051 27.9176 0.00183123 0.00475425 0.00581322 32
9385 23 C 28.2122 37.5395 26.7994 0.00412602 -0.000491769 0.00241112 32
9386 24 C 28.9231 37.4983 25.5773 0.00293542 0.00381166 -0.00302883 32
9387 25 C 29.2534 38.6901 24.9372 0.00180014 0.000363014 -0.00139494 32
9388 26 C 30.0151 38.6609 23.8083 0.000941072 -0.000825784 -0.00247303 32
9389 27 C 30.4844 37.3865 23.3487 -0.00458979 0.00208596 0.0021143 32
9390 28 C 30.1614 36.1883 23.984 -0.00344276 0.00453909 -0.000459163 32
9391 29 C 29.3612 36.2572 25.1203 0.00119848 0.00234972 0.00167449 32
9392 30 C 31.3331 37.2916 22.1988 -0.00176432 -0.000630426 -0.00103641 32
9393 31 C 31.9296 37.2915 21.1474 -0.00353258 -0.0013036 0.00260213 32
9394 32 C 30.2936 34.3647 18.3648 0.00014833 -9.73135e-05 0.00178968 32
9395 33 C 30.4833 34.5693 16.9727 0.0041531 -0.00167795 -0.00425188 32
9396 34 C 31.311 35.6079 16.5366 0.0023618 0.00233221 0.000377422 32
9397 35 C 31.9573 36.4559 17.4917 -0.00314226 -0.00215672 1.35521e-05 32
9398 36 C 31.691 36.286 18.8783 -0.00300161 -0.00103293 0.00142682 32
9399 37 C 30.8563 35.2245 19.3045 0.00426406 0.000164624 -0.00223471 32
9400 38 C 32.3191 37.4096 19.7564 0.00122675 0.0007795 0.000756097 32
9401 39 C 36.1462 37.5913 19.8883 0.00363766 0.00235291 0.000547281 32
9402 40 C 36.4547 37.6139 18.5174 0.000684597 -0.00540172 -0.000358695 32
9403 41 C 35.4518 37.5527 17.5627 -0.00310518 -0.0025131 0.00188663 32
9404 42 C 34.1289 37.4921 18.0449 -0.0027214 -0.000686409 0.00309324 32
9405 43 C 33.8158 37.384 19.4557 0.000794097 -0.00145329 0.00108338 32
9406 44 C 34.8303 37.4686 20.4016 -0.00138701 -0.000730741 0.00160964 32
9407 45 C 30.9227 40.9804 19.052 -0.00318321 -0.00033738 0.000464304 32
9408 46 C 31.072 40.9844 17.6576 -0.000523128 0.00235288 -0.00309104 32
9409 47 C 31.6945 39.8948 17.0129 -0.00111492 0.000682365 0.00385356 32
9410 48 C 32.1548 38.828 17.7591 -0.0014636 0.000551755 0.000194917 32
9411 49 C 32.8968 37.6256 17.1692 0.000486862 -0.00229799 0.000100068 32
9412 50 C 31.9065 38.7543 19.1517 0.00196407 0.00135958 -0.00250552 32
9413 51 C 31.3181 39.8702 19.807 -4.1224e-05 -0.00188958 -0.000363106 32
9414 52 O 35.7231 37.5421 16.188 0.00398137 0.000188209 0.000503483 32
9415 53 O 31.4069 35.9301 15.1939 0.00421695 0.00294945 -0.000547768 32
9416 54 O 31.6831 39.7752 15.64 -0.00215603 0.00214122 0.00332581 32
9417 55 C 27.2175 37.4845 32.0222 -0.0023111 -0.000270786 -0.00569321 32
9418 56 C 28.0116 36.2532 31.4824 0.000498832 -0.00379312 0.00135319 32
9419 57 C 35.5123 36.3157 15.5374 -0.000391068 -0.00203081 0.00259508 32
9420 58 C 36.1365 36.2848 14.1436 -0.00320087 0.00206216 -0.000478521 32
9421 59 C 35.2721 36.7804 12.9537 0.000626205 0.000118734 0.000772311 32
9422 60 C 35.7685 36.2836 11.5809 -0.00301819 -0.00109033 -0.00124507 32
9423 61 C 34.7975 36.7749 10.481 0.00272721 0.00270096 0.00149657 32
9424 62 C 35.1642 36.2708 9.05198 -0.00238281 0.00133907 0.0016107 32
9425 63 C 34.0998 36.6725 7.98969 9.74072e-05 -4.65821e-05 -0.00362003 32
9426 64 C 34.6295 36.5364 6.54621 -0.00054018 -0.0028237 0.00119447 32
9427 65 C 33.4658 36.5746 5.54256 -0.00159416 0.00102596 0.00164151 32
9428 66 C 33.8069 37.1422 4.14203 0.000243894 -0.00342009 -0.00181622 32
9429 67 C 34.1675 36.1022 3.05303 -0.00162324 0.000628576 0.00212987 32
9430 68 C 33.9825 36.7446 1.67269 -0.00597729 0.000595239 0.0014421 32
9431 69 F 30.3022 39.8014 23.1501 -0.000720324 -0.00175319 -0.00129626 32
9432 70 C 31.096 35.0623 14.0966 -0.000768768 -0.0016116 -0.000824349 32
9433 71 C 31.1328 35.9208 12.7942 -0.00376331 -0.00380131 -0.00481622 32
9434 72 C 31.0951 35.0709 11.5528 0.00150939 0.00035634 0.00238081 32
9435 73 C 29.6919 34.8994 10.914 -0.00354824 0.00231833 -0.00111003 32
9436 74 C 29.7444 34.4681 9.41292 -0.00336693 -0.00504264 3.70618e-05 32
9437 75 C 29.9775 35.6645 8.44081 0.000954104 -0.00256377 -0.00247462 32
9438 76 C 30.5095 35.2955 7.04989 0.00317636 0.00276354 -0.000403235 32
9439 77 C 29.6052 34.4469 6.16267 0.00475299 -0.00122551 0.00280456 32
9440 78 C 30.3048 33.7572 4.94902 0.000223328 -0.00276071 -0.00322762 32
9441 79 C 30.7414 34.6793 3.80678 0.00500685 0.00161061 -0.00130093 32
9442 80 C 29.623 35.2916 2.93467 0.00153335 -0.00237654 -0.0042289 32
9443 81 C 28.9575 34.2196 2.06531 -0.00534992 0.00200931 -0.00125367 32
9444 82 C 32.5498 40.4909 14.834 0.00104909 0.00116263 -0.000990336 32
9445 83 C 33.1124 39.488 13.8408 -0.0049093 -0.00238785 -0.00260832 32
9446 84 C 33.2521 40.118 12.4148 0.000471589 0.00312256 -0.00362959 32
9447 85 C 34.2972 41.2457 12.3225 -0.00432492 -0.00483834 0.000562872 32
9448 86 C 34.2647 41.9488 10.9567 -0.00263644 0.000635487 0.000789107 32
9449 87 C 34.4909 41.0643 9.72066 -0.000772632 0.00496504 -0.00291621 32
9450 88 C 34.3571 41.885 8.41167 0.00170153 0.00102557 0.000472398 32
9451 89 C 34.3712 40.9609 7.20224 -0.000161602 0.000585006 -0.00328109 32
9452 90 C 34.0226 41.6896 5.91302 -0.000891758 0.00224375 -0.000398627 32
9453 91 C 33.9992 40.7295 4.68687 -0.00301296 0.00503892 -0.00256466 32
9454 92 C 33.9091 41.4644 3.32887 0.000809631 -0.00102854 0.00345427 32
9455 93 C 33.7805 40.5253 2.12514 0.00182387 0.000898505 0.00374085 32
9456 94 C 22.9948 37.4726 33.7476 -0.000470325 0.00324328 0.00327748 32
9457 95 C 23.0321 37.4442 35.3036 -0.00398417 0.00319245 -0.00420145 32
9458 96 C 21.7038 37.2477 36.1483 2.1815e-05 -0.000955153 -0.000743497 32
9459 97 C 22.0498 36.9989 37.6502 0.000502538 0.00109072 0.00547724 32
9460 98 C 21.9634 38.2265 38.5467 -0.00372159 -0.000101113 0.00119598 32
9461 99 C 22.5552 38.0513 39.9567 -0.000969755 -0.00233001 0.000499278 32
9462 100 C 21.6386 37.5531 41.0737 0.000404631 -0.000914716 0.00254186 32
9463 101 C 22.4901 37.3064 42.3395 0.00115379 -0.000509273 -0.000887603 32
9464 102 C 21.6437 37.2102 43.6489 0.00162658 0.00146345 0.00609869 32
9465 103 C 22.5792 37.1116 44.8673 0.00165893 -0.00141955 -0.00114428 32
9466 104 C 21.8502 37.0041 46.2137 -0.00180223 0.00145576 0.00234737 32
9467 105 C 22.8432 36.5931 47.3319 0.000384336 -0.00231601 -0.00256797 32
9468 106 C 28.9245 41.1876 34.1615 0.00225965 0.0025649 0.00441463 32
9469 107 C 28.6432 41.3442 35.6421 -0.0008262 -0.000433297 0.000274465 32
9470 108 C 29.243 42.6271 36.2312 -0.000132497 -0.000543037 0.00247775 32
9471 109 C 28.9157 42.7949 37.7369 0.000117142 -0.00563389 0.000395424 32
9472 110 C 29.7893 41.8827 38.6823 0.00343079 0.000103263 0.00353174 32
9473 111 C 29.3659 41.7572 40.1764 0.00184511 -0.000151029 0.00172933 32
9474 112 C 29.3541 43.1254 40.8997 0.000987659 0.000906555 0.00359201 32
9475 113 C 29.2355 43.0159 42.4486 0.0016279 -0.000338022 0.000787786 32
9476 114 C 30.3259 42.0924 43.0454 -0.00038873 -0.0026207 -0.00393687 32
9477 115 C 30.4418 42.2247 44.5862 0.00123626 -0.00214219 0.00474478 32
9478 116 C 29.146 41.8412 45.269 0.0017674 -0.00295346 -0.000561637 32
9479 117 C 29.2543 41.7183 46.8119 0.000694702 0.000321112 -0.00126775 32
9480 118 C 29.0235 33.8297 34.2178 0.00122601 -0.00368415 -0.0044591 32
9481 119 C 28.8455 33.7264 35.732 0.00195948 0.00411541 -0.00547012 32
9482 120 C 29.6509 32.5463 36.3877 0.00364813 0.00157539 -0.00233914 32
9483 121 C 29.3548 32.2609 37.8696 -0.00230886 0.00448709 0.00290948 32
9484 122 C 29.1939 33.5529 38.653 0.00319912 0.00277311 -0.00167466 32
9485 123 C 29.0956 33.3493 40.1784 -0.00487015 -0.000901074 -0.0102678 32
9486 124 C 30.364 32.8176 40.9101 -0.00224958 0.00237992 -0.00449876 32
9487 125 C 30.4131 33.1703 42.4149 -0.00166089 0.0009245 0.00367921 32
9488 126 C 29.2998 32.4802 43.2481 -0.00312142 -0.000735289 0.00255139 32
9489 127 C 29.1478 33.0615 44.6755 -0.000361498 0.00147713 0.00158064 32
9490 128 C 30.5007 33.3645 45.3863 -0.000112845 0.0032286 0.000110863 32
9491 129 C 30.2646 33.8893 46.7989 0.00144203 0.00239429 -0.000800394 32
9492 130 F 28.7467 39.8434 25.3873 -0.00209956 0.00180851 -0.000446727 32
9493 131 H 29.705 41.699 31.9131 -0.00864372 0.00171676 0.00520705 32
9494 132 H 29.7085 41.6466 29.4386 -0.00373091 -0.00489107 -0.00676717 32
9495 133 H 28.5836 39.8782 28.2633 -0.0129691 0.00188757 -0.00043442 32
9496 134 H 22.4698 37.2161 31.3879 -0.00435132 -0.00657196 -0.00161096 32
9497 135 H 22.7526 37.062 28.912 -0.00414913 -0.00973552 0.00832966 32
9498 136 H 25.0736 37.1453 27.9267 0.00862547 -0.0208105 0.00358794 32
9499 137 H 29.6154 33.2863 31.9659 -0.00737165 0.00246023 -0.000814947 32
9500 138 H 29.7332 33.2986 29.5373 0.00579771 0.00147755 0.000870246 32
9501 139 H 28.7696 35.1771 28.2906 -0.0240533 -0.00360731 0.00327159 32
9502 140 H 30.5355 35.2258 23.6478 -0.0142286 0.000399531 -0.000630286 32
9503 141 H 29.1272 35.363 25.6905 -0.00279666 0.00237433 7.08353e-05 32
9504 142 H 29.731 33.5134 18.7365 -0.00604118 0.000742449 -0.00568242 32
9505 143 H 30.0081 33.9057 16.2563 0.0013157 -0.00169969 -0.00234711 32
9506 144 H 30.6849 35.0345 20.3599 0.00169349 -0.0143732 -0.00526728 32
9507 145 H 36.9614 37.7236 20.5935 -0.000579618 0.00106904 0.00566336 32
9508 146 H 37.4646 37.7909 18.1594 -0.000294031 -0.00777317 -0.00429977 32
9509 147 H 34.6656 37.5127 21.4741 0.00976559 -0.0107544 0.00374652 32
9510 148 H 30.4318 41.8082 19.5551 -0.0046322 0.00208992 -0.00494538 32
9511 149 H 30.7234 41.8502 17.1024 -0.00253279 0.00383716 0.000477771 32
9512 150 H 33.0787 37.7466 16.0941 -0.018887 -0.0040994 -0.0034115 32
9513 151 H 31.0973 39.8518 20.8701 -0.0125652 -0.00766589 -0.00305378 32
9514 152 H 27.1376 37.4834 33.1163 0.00621009 -0.00719697 -0.00506846 32
9515 153 H 35.9747 35.5181 16.1319 0.00420556 -0.00639582 -0.00683508 32
9516 154 H 34.4374 36.1061 15.4748 0.000230588 -0.00200347 -0.00807525 32
9517 155 H 36.4009 35.2495 13.8951 0.00335091 0.00303283 0.00244728 32
9518 156 H 37.106 36.7979 14.1549 -0.00238598 0.000255806 0.0104536 32
9519 157 H 35.2794 37.8774 12.9539 0.0123414 5.99361e-05 0.00944209 32
9520 158 H 34.2395 36.4223 13.048 0.00379802 -0.00832086 0.00348756 32
9521 159 H 35.8533 35.1922 11.5099 -0.000519962 -0.00132442 0.00549956 32
9522 160 H 36.7665 36.7165 11.4392 -0.00317227 0.00214821 0.00746197 32
9523 161 H 34.6748 37.8613 10.3911 0.00162937 0.00156817 -0.0111166 32
9524 162 H 33.7816 36.4729 10.7642 0.00522435 0.0103409 0.0186912 32
9525 163 H 35.2096 35.1747 9.05834 -0.016875 0.000681518 -0.00577068 32
9526 164 H 36.165 36.6543 8.81795 0.00289421 -0.0111437 0.00371334 32
9527 165 H 33.8232 37.7138 8.19618 0.00408307 0.00115158 -0.00433092 32
9528 166 H 33.2067 36.081 8.2263 -0.000110896 0.00105753 -0.00162064 32
9529 167 H 35.2326 35.6333 6.39035 -0.00293407 -0.00506601 0.0049344 32
9530 168 H 35.2377 37.4216 6.32278 -0.0017871 -0.000734149 0.006093 32
9531 169 H 32.6861 37.1934 6.00365 -0.0122102 -0.00830331 -0.00380643 32
9532 170 H 33.0492 35.5644 5.44594 0.00149667 -0.000966207 0.0091771 32
9533 171 H 34.6067 37.8864 4.24174 0.00185703 -0.00427211 -0.00845729 32
9534 172 H 32.8886 37.666 3.84908 0.0017151 -0.00419248 -0.00777413 32
9535 173 H 33.5277 35.2133 3.11568 0.000817276 -0.00123849 0.00060218 32
9536 174 H 35.2033 35.7642 3.18064 -0.00267937 -0.00565041 -0.00595514 32
9537 175 H 34.6758 37.5917 1.59998 0.00255883 -0.0066077 -0.000914097 32
9538 176 H 32.9623 37.1192 1.52384 -0.0105175 -0.00463998 0.0194439 32
9539 177 H 34.144 35.9719 0.910981 -0.0122655 0.00877542 -0.00817619 32
9540 178 H 31.9488 34.3737 14.0522 0.00531452 0.005283 0.00863464 32
9541 179 H 30.1462 34.5243 14.2058 -0.0130858 0.018676 -0.00810574 32
9542 180 H 30.3204 36.6574 12.8248 -0.00554886 -0.00612054 0.00399639 32
9543 181 H 32.061 36.5054 12.7931 0.00723062 -0.0212295 0.00677784 32
9544 182 H 31.6617 35.6033 10.7789 -0.0188396 -0.00621053 -0.0171217 32
9545 183 H 31.5664 34.0961 11.7289 -0.00255474 -0.00428145 -0.0124071 32
9546 184 H 29.12 34.1888 11.5235 0.00448381 -0.00125942 0.00226135 32
9547 185 H 29.1769 35.8658 10.9793 0.000734163 0.0043306 0.0029806 32
9548 186 H 30.519 33.6977 9.31374 -0.00448257 -0.00742377 0.00972122 32
9549 187 H 28.7702 34.0083 9.20585 -0.00560731 -0.00533247 0.0111288 32
9550 188 H 29.0644 36.2718 8.40941 0.00788582 0.009233 0.0221335 32
9551 189 H 30.7055 36.3413 8.90486 0.00445106 0.00210642 -0.0147973 32
9552 190 H 30.7484 36.212 6.49634 -0.0131965 0.00945592 0.00364732 32
9553 191 H 31.4802 34.8115 7.21363 0.00842595 0.0131495 -0.000720255 32
9554 192 H 29.2325 33.6033 6.75674 -0.00918529 -6.86103e-05 -0.00426873 32
9555 193 H 28.7079 34.9848 5.83248 0.00584675 -0.00834401 -0.011788 32
9556 194 H 31.2046 33.2653 5.33872 0.000472668 -0.00155618 -0.00228099 32
9557 195 H 29.655 32.953 4.58237 0.00837529 -0.0175732 0.0147228 32
9558 196 H 31.3828 35.4775 4.20032 0.0111091 -0.00220816 -0.00347232 32
9559 197 H 31.373 34.1562 3.07815 -0.00880605 -0.00707045 -0.00704892 32
9560 198 H 28.8573 35.7677 3.55947 -0.00300902 0.00694837 -0.0168959 32
9561 199 H 30.0545 36.0647 2.28699 0.00559691 -0.00645595 -0.00638809 32
9562 200 H 28.1918 34.5958 1.37561 -0.00125445 -0.00793448 -0.0112557 32
9563 201 H 29.6984 33.6761 1.46609 -0.00899273 -0.003023 -0.00120523 32
9564 202 H 28.4236 33.4555 2.64367 0.0135153 -0.00919954 0.00133296 32
9565 203 H 31.9226 41.2066 14.2883 0.00274361 0.0087108 0.00697201 32
9566 204 H 33.3061 41.0436 15.4048 -0.00165259 0.0129336 -0.00880115 32
9567 205 H 34.0811 39.0814 14.1567 -0.00277413 0.00863824 0.00496095 32
9568 206 H 32.4394 38.6249 13.7656 -0.00729844 -0.000439499 -0.00359047 32
9569 207 H 33.4657 39.2994 11.7164 0.00119883 0.0039291 -0.00435035 32
9570 208 H 32.2682 40.516 12.1376 0.00218569 0.00946598 -0.000603085 32
9571 209 H 34.0365 41.9736 13.1007 0.0112514 0.0027848 -0.00139618 32
9572 210 H 35.3193 40.8771 12.4736 -0.00500047 -0.00183609 0.0124034 32
9573 211 H 33.3091 42.48 10.8669 -0.00336772 0.000468176 0.00753224 32
9574 212 H 35.0864 42.6756 10.9444 0.00301393 -0.00573164 0.0011384 32
9575 213 H 35.4797 40.5908 9.75839 -0.00712623 -0.00754256 0.00660683 32
9576 214 H 33.7372 40.2677 9.74892 0.00825577 -0.00389301 -0.0126761 32
9577 215 H 33.384 42.3882 8.46829 -0.00179835 -0.00479473 -0.00807762 32
9578 216 H 35.1081 42.6798 8.32411 0.00293101 -0.00235913 -0.0197298 32
9579 217 H 35.3325 40.4486 7.07244 -0.00589788 -0.00930284 -0.00684666 32
9580 218 H 33.6172 40.1781 7.35067 0.00884557 -0.00811096 -0.00345573 32
9581 219 H 33.0989 42.2742 6.00503 -0.00200869 0.000579299 -0.00106249 32
9582 220 H 34.8158 42.4365 5.78502 0.00302675 -0.00285688 -0.00583191 32
9583 221 H 34.8792 40.0746 4.7046 -0.00278807 0.00514061 -0.0100249 32
9584 222 H 33.1512 40.0347 4.72444 0.00272513 -0.00181485 0.000283583 32
9585 223 H 33.0262 42.1107 3.40711 0.00212234 0.000121325 0.00888395 32
9586 224 H 34.7626 42.1325 3.16 0.000651306 0.000576871 0.00901925 32
9587 225 H 34.7232 39.9794 1.99533 0.0040963 0.00260908 0.012972 32
9588 226 H 32.9891 39.7956 2.33625 -0.00722107 0.006465 -0.0110376 32
9589 227 H 33.5474 41.0908 1.21449 0.000262754 -0.00685761 -0.000672603 32
9590 228 H 22.446 38.3631 33.4171 -0.0084623 -0.0036078 -0.00193531 32
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9606 244 H 21.0436 38.1186 43.7841 -0.0122818 -0.00790088 0.00733653 32
9607 245 H 20.9185 36.3873 43.6309 -0.00877054 0.0107301 0.000464358 32
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9609 247 H 23.2415 37.9859 44.8866 -0.0111423 0.0084389 -0.00837067 32
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9611 249 H 21.021 36.2859 46.212 0.00550195 -0.00699576 0.00546307 32
9612 250 H 23.619 37.3673 47.3787 -0.00442163 0.00202649 0.00503125 32
9613 251 H 22.2869 36.5626 48.2768 0.0029791 0.00365383 -0.000844981 32
9614 252 H 23.3718 35.6381 47.2219 0.000111111 -0.0029276 0.00138899 32
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9616 254 H 28.4125 42.0018 33.634 -0.00577566 -0.00984937 -0.00697131 32
9617 255 H 27.5514 41.3507 35.7489 0.000318632 0.00664746 0.0112187 32
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9619 257 H 30.2931 42.7608 35.9433 -0.00252912 0.00640044 -0.0031135 32
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9621 259 H 29.0745 43.8447 38.0127 -0.0100039 -0.0054369 0.00545217 32
9622 260 H 27.8614 42.5708 37.9407 0.000162827 -0.00925739 -0.0033567 32
9623 261 H 29.8805 40.8853 38.2347 -0.00833911 -0.000566269 0.00263163 32
9624 262 H 30.7799 42.35 38.6199 0.000350708 0.00770583 0.0116031 32
9625 263 H 28.3882 41.2652 40.2498 0.000154448 0.0020113 -0.00620833 32
9626 264 H 30.1213 41.1035 40.6298 0.00374715 0.00239491 0.00223928 32
9627 265 H 30.3 43.6336 40.6752 -0.0018273 0.00665415 0.00474549 32
9628 266 H 28.5624 43.7746 40.5058 0.0138276 0.0121876 -0.0036401 32
9629 267 H 29.3473 44.0458 42.8093 -0.0177996 0.00436032 -0.00655377 32
9630 268 H 28.2452 42.6652 42.7641 0.00317011 -0.0125308 -0.00796109 32
9631 269 H 30.0913 41.0482 42.8046 0.0116673 -0.00683704 0.00265548 32
9632 270 H 31.2753 42.3924 42.5848 0.00205909 0.00805461 0.00803856 32
9633 271 H 31.2774 41.5771 44.879 0.00382788 2.1854e-05 0.00215427 32
9634 272 H 30.6793 43.2634 44.8468 0.0162051 -0.00464751 0.00107578 32
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9636 274 H 28.7212 40.9151 44.8623 -0.0111166 0.00866952 -0.0135724 32
9637 275 H 29.6615 42.6508 47.2217 -0.0112119 0.00453633 0.000919943 32
9638 276 H 28.3373 41.4337 47.3423 0.000643661 0.00660879 0.00201511 32
9639 277 H 29.9999 40.9545 47.065 -0.00496792 -0.00665381 -0.00565996 32
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9642 280 H 27.7664 33.65 35.9138 0.00317528 -0.0127618 -0.00539731 32
9643 281 H 29.1921 34.6561 36.1999 0.00386961 0.000292027 0.000718215 32
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9647 285 H 28.4343 31.67 37.9524 -0.000138236 0.000453883 -0.00174894 32
9648 286 H 28.3023 34.0925 38.3105 0.00887067 0.0161661 0.00462194 32
9649 287 H 30.029 34.2374 38.4596 0.00209892 0.00442861 -0.000587649 32
9650 288 H 28.2359 32.7329 40.4686 -0.00322313 -0.00170829 -0.00708386 32
9651 289 H 28.9285 34.3438 40.6103 0.00978381 -4.4056e-05 -0.00654419 32
9652 290 H 31.2119 33.3078 40.4159 0.0073203 0.00231717 0.0119059 32
9653 291 H 30.4586 31.7361 40.7523 -0.0164415 0.000365187 0.000815341 32
9654 292 H 30.3771 34.2572 42.5593 -0.00684998 0.000363347 0.0065901 32
9655 293 H 31.408 32.8842 42.7776 -0.00668695 -0.00124471 0.0157164 32
9656 294 H 29.5039 31.4054 43.3288 7.00503e-05 -0.00130354 -0.0132926 32
9657 295 H 28.3275 32.6251 42.7612 -0.00034986 0.0162686 0.00204801 32
9658 296 H 28.5536 32.3475 45.2592 0.000513264 0.000456638 0.00122437 32
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9660 298 H 31.0135 34.1498 44.8174 -0.0068294 0.00272344 -0.0066553 32
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9663 301 H 29.6168 34.7732 46.7493 -0.00608677 -0.00287627 0.00393148 32
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9666 2 C 33.3613 33.92 29.8833 0.00281265 0.000820481 -0.000963375 33
9667 3 C 32.8303 32.8724 29.1474 0.00135616 -0.000629394 0.00267579 33
9668 4 C 31.9994 31.9408 29.7861 0.00588345 0.00621008 -0.00212175 33
9669 5 C 31.7888 31.9822 31.2131 0.00135601 -8.72118e-05 0.000196666 33
9670 6 C 32.3547 33.0737 31.9422 -0.0007081 -0.000326639 -0.000353845 33
9671 7 C 27.3886 30.7485 30.6068 0.00069109 0.00126883 -0.000223237 33
9672 8 C 27.5576 30.6715 29.209 0.000941428 0.00336222 -0.0029766 33
9673 9 C 28.8518 30.6894 28.6671 -0.000837405 -0.00296529 0.0014476 33
9674 10 C 29.9282 30.7432 29.5889 0.00155311 -0.00173306 -0.00335977 33
9675 11 C 29.7699 30.7457 30.9848 -0.00106059 0.00157723 0.00186264 33
9676 12 C 28.456 30.7655 31.5099 -0.000748998 0.00319113 0.00021426 33
9677 13 C 32.9894 27.3075 31.2537 -0.000769019 0.00164354 -0.00204684 33
9678 14 C 33.1463 27.3914 29.8729 -0.00203376 -6.31413e-05 0.00183495 33
9679 15 C 32.6892 28.4836 29.1447 0.00110005 -0.00233928 -0.00779918 33
9680 16 C 32.0139 29.4942 29.8297 -0.000598304 -0.00192419 -0.00273946 33
9681 17 C 31.3722 30.7073 29.1351 -0.000139776 0.00228093 0.000833657 33
9682 18 O 32.1902 28.2327 33.3285 0.00367987 0.00466141 0.000134277 33
9683 19 O 28.2348 30.7668 32.8757 -0.000170461 -0.00142725 -0.00182355 33
9684 20 O 32.2271 33.2414 33.3353 0.00181418 -0.00291127 0.00115041 33
9685 21 C 32.3554 28.3344 31.9596 -0.00140042 -0.00431421 0.00194481 33
9686 22 C 31.6026 30.7113 27.6676 -0.00068443 -0.00167333 0.00305838 33
9687 23 C 32.0748 30.673 26.5756 0.00269249 -0.000811227 -0.00450773 33
9688 24 C 32.9237 30.6505 25.4504 0.000470959 0.000385353 -0.00106296 33
9689 25 C 33.4323 31.8801 24.9951 0.00205323 -0.00549154 -0.00286961 33
9690 26 C 34.4212 31.8891 24.0082 0.000152 -0.00274963 -0.00015186 33
9691 27 C 34.8905 30.6728 23.4711 -0.00159386 0.00300534 0.00158203 33
9692 28 C 34.3882 29.4236 23.9393 -0.00189709 -0.000651358 0.00168786 33
9693 29 C 33.4086 29.4084 24.9697 -0.00306477 -0.00176774 0.00202319 33
9694 30 C 35.7098 30.7104 22.2942 -0.000352741 0.00031463 0.00470048 33
9695 31 C 36.1777 30.76 21.1828 -0.0013508 0.000631378 0.00384464 33
9696 32 C 34.9395 27.268 18.8222 -0.00109047 0.00198896 -0.000903938 33
9697 33 C 35.1422 27.352 17.4395 -0.000806609 -0.00166889 -0.000408047 33
9698 34 C 35.6521 28.4899 16.7973 0.00135976 -0.00269511 0.00340074 33
9699 35 C 36.0039 29.6101 17.5716 -0.00115571 0.00153994 -0.000143456 33
9700 36 C 35.8032 29.5813 18.9989 0.00158294 -0.0035396 -0.00200904 33
9701 37 C 35.2466 28.3944 19.5747 0.00433254 -0.00291256 0.000205823 33
9702 38 C 36.4284 30.793 19.7504 -3.5994e-05 0.0014684 -0.000490627 33
9703 39 C 40.2468 30.6756 19.4609 -0.00107607 0.00184413 -0.00120375 33
9704 40 C 40.4022 30.7324 18.0502 -0.00153468 -0.000719413 -0.00268899 33
9705 41 C 39.2638 31.0083 17.2705 -0.00117557 -0.00202836 0.00496927 33
9706 42 C 38.0103 30.9321 17.865 -0.00173211 -0.00163948 0.00149993 33
9707 43 C 37.8869 30.8436 19.2617 0.000993027 0.00470497 -0.00264299 33
9708 44 C 38.9766 30.6889 20.0814 -0.000204947 0.00254418 -0.0019667 33
9709 45 C 34.4358 34.001 19.0259 0.00250025 -0.00121853 0.00171155 33
9710 46 C 34.525 34.0045 17.6293 -0.00250278 0.00321363 0.0048599 33
9711 47 C 35.2407 33.0247 16.9634 -0.00102123 0.00128755 0.00218702 33
9712 48 C 35.8508 32.0118 17.6782 0.00368426 -0.00113018 -0.00176293 33
9713 49 C 36.702 30.883 17.0698 0.00414574 -0.00139733 -0.00408456 33
9714 50 C 35.7508 31.9764 19.1085 -0.000443026 -0.000948792 -0.00168643 33
9715 51 C 35.0148 32.9703 19.7709 -0.00139437 -0.00348538 0.00200826 33
9716 52 O 39.3472 31.2703 15.9213 -0.00257474 0.00356381 0.00184897 33
9717 53 O 35.9383 28.4597 15.4653 -0.00162238 -0.00291179 -0.00150541 33
9718 54 O 35.378 33.0935 15.6148 -0.00140908 0.000304744 -0.00174442 33
9719 55 C 31.1066 30.7138 31.7736 0.0011706 0.000987538 0.00279794 33
9720 56 C 31.8865 29.4782 31.2584 0.00317201 0.00250679 -0.00343571 33
9721 57 C 39.5977 30.1621 15.0483 -3.11816e-05 0.0026026 0.0013383 33
9722 58 C 39.2736 30.5162 13.6037 0.00548211 -0.000839564 0.00174034 33
9723 59 C 37.773 30.8156 13.4219 -0.00252284 0.000223066 -0.000605007 33
9724 60 C 37.1694 30.8178 12.0128 -0.00167521 -0.00238711 -0.00186742 33
9725 61 C 38.0492 30.3206 10.8654 0.00309565 0.00132831 -0.00225117 33
9726 62 C 37.4233 30.6806 9.50116 -0.00136905 -0.00152707 -0.00169945 33
9727 63 C 38.3655 30.3323 8.32573 -0.00118971 0.00235886 -0.00232571 33
9728 64 C 37.7432 30.6187 6.94296 0.00226724 -0.00230795 -0.000120559 33
9729 65 C 38.649 30.256 5.75457 0.00185151 -0.00215187 -0.000953455 33
9730 66 C 37.9193 30.4497 4.40641 0.000205743 -0.000289118 -0.00345851 33
9731 67 C 38.7951 30.011 3.23123 0.00233195 0.00272624 0.00175619 33
9732 68 C 38.2635 30.4212 1.87651 0.00226616 -0.00504225 -5.13898e-05 33
9733 69 F 34.8387 33.0385 23.5554 0.000184208 0.000179673 0.00044511 33
9734 70 C 36.2511 27.174 14.8774 0.00224176 0.00129212 -0.00121941 33
9735 71 C 36.8869 27.4027 13.4766 0.00124085 0.00172422 -0.00088774 33
9736 72 C 37.288 26.0391 12.9156 0.000153574 0.00112586 0.000819395 33
9737 73 C 37.8824 26.1301 11.5049 -0.00370823 0.00292744 0.00326149 33
9738 74 C 38.3965 24.7499 11.0449 0.00153493 -0.00400186 0.00294277 33
9739 75 C 39.1235 24.7926 9.68526 0.000314812 0.0017443 -0.00184343 33
9740 76 C 38.2365 25.0109 8.43691 -0.00137543 0.00265427 -0.00183387 33
9741 77 C 38.0723 26.459 7.99676 0.00121876 0.00175846 0.00454438 33
9742 78 C 37.5579 26.572 6.54436 -0.000723158 0.00331623 0.00198079 33
9743 79 C 38.6097 26.2847 5.43337 -0.00293806 -0.00335974 0.000137264 33
9744 80 C 37.9777 26.2197 4.05594 -0.000582135 0.000349018 -0.000259523 33
9745 81 C 38.9203 25.8361 2.89523 0.000853553 0.000562256 0.000741398 33
9746 82 C 34.4692 32.5112 14.7172 0.00110864 -0.000766123 0.00131685 33
9747 83 C 34.7091 33.1528 13.3157 -0.00319982 -0.000578214 -0.003317 33
9748 84 C 34.1075 32.4012 12.1181 0.00258822 -0.00285856 -0.00189288 33
9749 85 C 34.3022 33.0431 10.7466 0.00280549 -0.0010677 -0.000185557 33
9750 86 C 33.6365 32.1935 9.62789 -0.000862385 0.000837966 0.00129807 33
9751 87 C 33.082 32.9818 8.42544 -0.0046535 0.00162991 -0.00490471 33
9752 88 C 34.0785 32.9714 7.24473 0.00195407 -0.000938749 -0.00431928 33
9753 89 C 34.1208 31.6488 6.46982 0.00119432 -0.000523113 -0.00258439 33
9754 90 C 34.7214 31.7385 5.05382 -0.00930065 -0.00160963 0.00396394 33
9755 91 C 34.1138 32.7505 4.07429 0.00199236 -0.00392039 -0.00132421 33
9756 92 C 33.824 32.2163 2.64805 -3.18572e-05 -0.00463421 0.00139778 33
9757 93 C 35.0608 32.1897 1.73995 -0.00295628 -0.00314406 0.000352274 33
9758 94 C 26.9223 30.5378 33.4612 -0.000772336 -0.00392351 0.00527801 33
9759 95 C 26.91 30.9045 34.9593 0.00109075 0.00162567 -0.000658787 33
9760 96 C 25.57 30.5977 35.6608 0.000317787 -0.00361155 0.00276913 33
9761 97 C 25.5226 31.1491 37.1029 -0.00142698 0.00276068 0.000520148 33
9762 98 C 25.5241 30.1601 38.2422 -0.00322695 0.000195586 -0.00030028 33
9763 99 C 25.9175 30.8693 39.5829 -0.00335776 -0.00221132 0.00321607 33
9764 100 C 25.6977 29.998 40.8226 -0.00118226 0.000911203 -0.0053638 33
9765 101 C 26.2215 30.6416 42.1535 0.00618966 0.00393955 0.00119847 33
9766 102 C 25.9739 29.6128 43.2716 0.000263925 0.00177935 0.00391689 33
9767 103 C 26.6847 29.8576 44.6431 0.000785367 -0.00204445 -0.00223306 33
9768 104 C 26.001 30.9836 45.4329 0.00234566 -0.00026608 0.000403641 33
9769 105 C 26.4021 31.1647 46.9079 0.000923157 0.00264299 -0.00525938 33
9770 106 C 33.0276 34.2118 34.0968 -0.00202425 0.000696695 0.00523296 33
9771 107 C 32.6024 34.5498 35.5614 0.00225152 -0.00443156 -0.00104891 33
9772 108 C 33.5731 35.6221 36.0995 0.00281172 0.000276714 -0.00102348 33
9773 109 C 33.337 36.243 37.5033 0.00120831 -0.00212973 0.00108598 33
9774 110 C 33.3569 35.2266 38.6402 0.00285558 0.00124095 -0.000621861 33
9775 111 C 33.7248 35.8768 40.0161 -0.000817529 0.000652366 0.00209031 33
9776 112 C 33.3594 35.015 41.2756 0.00226402 0.00298877 0.00141824 33
9777 113 C 34.1888 35.5135 42.5242 0.00309597 -0.00224267 -0.00616624 33
9778 114 C 33.6537 35.0728 43.896 0.00264699 -5.43011e-05 0.000653987 33
9779 115 C 34.5089 35.7041 45.0553 0.0023731 0.00094359 0.00286444 33
9780 116 C 33.8479 35.6967 46.4701 -0.00278218 -0.000736431 0.00209491 33
9781 117 C 34.0417 34.3526 47.1981 0.00225211 -0.00119747 0.000858969 33
9782 118 C 32.3108 26.9628 34.0105 -0.00159824 -0.000717746 0.00144879 33
9783 119 C 32.6686 27.3094 35.4723 -0.00164015 0.000398735 -7.8233e-05 33
9784 120 C 32.875 26.127 36.4314 -0.00340453 0.00366455 0.000731903 33
9785 121 C 33.6043 26.5312 37.7245 0.00238428 -0.0008883 -0.00139616 33
9786 122 C 33.2804 25.5713 38.9006 0.0017361 -0.00166788 0.00101311 33
9787 123 C 33.8921 26.1045 40.2098 -0.00371546 -0.00181365 0.00103239 33
9788 124 C 33.4275 25.3727 41.4327 0.00277696 0.00187181 0.00334593 33
9789 125 C 33.9346 25.8955 42.7987 -5.80904e-05 -0.00151875 -0.000924057 33
9790 126 C 33.4875 25.0079 43.9316 -0.00190115 -0.00161125 -0.00185557 33
9791 127 C 34.1122 25.3701 45.2896 -0.00343147 -0.000838124 -0.00864944 33
9792 128 C 33.4647 26.5753 46 -0.00275692 0.00202411 7.40729e-05 33
9793 129 C 34.3615 26.9959 47.1468 -0.00109523 -0.000527087 0.00405657 33
9794 130 F 32.9263 33.0286 25.4537 -0.000925744 0.0038223 -0.00142388 33
9795 131 H 33.6043 34.8774 31.7539 -0.0254373 0.0166372 -0.00728162 33
9796 132 H 34.0072 34.6132 29.3526 0.0132755 -0.00859431 -0.000544127 33
9797 133 H 33.0286 32.8033 28.0819 0.00533886 -0.00557908 0.00373868 33
9798 134 H 26.3793 30.7426 31.0076 0.00175139 0.0178292 0.0027144 33
9799 135 H 26.6888 30.5699 28.5654 -0.00699812 -0.0103909 0.00988183 33
9800 136 H 28.9628 30.7088 27.5869 0.0153936 -0.00325949 0.00313404 33
9801 137 H 33.4272 26.432 31.7242 -0.00952557 -0.00255196 -0.00171728 33
9802 138 H 33.7053 26.5975 29.3865 0.00305172 0.0016883 0.00480639 33
9803 139 H 32.8922 28.4878 28.0779 0.00597213 -0.00469387 -0.00688985 33
9804 140 H 34.7581 28.4782 23.5535 -0.00652562 0.00277406 -0.0110993 33
9805 141 H 33.0694 28.4741 25.4071 0.00297457 -0.00452519 0.000821748 33
9806 142 H 34.5258 26.3676 19.2664 0.00880823 -0.00124961 0.00173746 33
9807 143 H 34.9053 26.4538 16.8768 -0.00275838 0.00650784 -0.0126138 33
9808 144 H 35.0967 28.3559 20.6496 -0.00472188 0.00597875 -0.000731578 33
9809 145 H 41.1031 30.5569 20.1182 -0.00926428 0.00107131 0.00935823 33
9810 146 H 41.3978 30.7079 17.617 0.00285435 0.00841157 0.00683591 33
9811 147 H 38.8469 30.5115 21.1449 0.00958454 -0.00451175 -0.00194881 33
9812 148 H 33.8396 34.7594 19.5249 -0.00562863 -0.00826082 0.00270912 33
9813 149 H 33.97 34.7351 17.0482 -0.0113279 -0.00986172 -0.0031807 33
9814 150 H 36.8128 30.9175 15.979 0.00199383 -0.0101948 -0.0045865 33
9815 151 H 34.9153 33.016 20.8514 0.00993072 0.0015911 0.0028428 33
9816 152 H 30.8663 30.7068 32.8439 -0.00974494 -0.000857772 0.000368964 33
9817 153 H 40.6552 29.8821 15.1305 -7.31079e-05 0.00318183 0.003852 33
9818 154 H 38.9881 29.2931 15.325 0.0208634 -0.00687429 0.0176512 33
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9821 157 H 37.509 31.7416 13.9476 0.00274449 -0.00666693 0.0142275 33
9822 158 H 37.1644 30.1102 14.0012 -0.000978784 0.00456295 0.00631771 33
9823 159 H 36.7482 31.8101 11.8098 0.0019478 0.000167492 0.00312156 33
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9825 161 H 38.1531 29.2308 10.935 -6.41021e-05 0.00114272 -0.000489787 33
9826 162 H 39.0866 30.6771 10.8739 0.00647214 -0.00883234 0.011706 33
9827 163 H 37.1936 31.7532 9.49128 0.0139353 0.0019168 0.0145913 33
9828 164 H 36.5062 30.109 9.31208 -0.00740653 0.00599085 0.00499892 33
9829 165 H 38.6374 29.2717 8.39213 0.00831535 0.00603979 0.017673 33
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9832 168 H 36.8352 30.0036 6.91801 0.00284167 -0.00324269 0.00185558 33
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9834 170 H 39.52 30.9198 5.81876 -0.000662635 0.00186063 -0.0084211 33
9835 171 H 37.6651 31.51 4.28494 0.0153348 0.00448325 0.00660009 33
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9885 221 H 33.1712 33.0728 4.53358 0.00777175 -0.00112638 0.0086115 33
9886 222 H 34.7865 33.617 4.06337 0.0091018 -0.00935675 0.00419069 33
9887 223 H 33.3958 31.2126 2.76083 -0.00315157 -0.00155496 0.0171126 33
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9894 230 H 27.7899 30.4877 35.4646 -0.00596028 -0.00204275 0.00855169 33
9895 231 H 27.0726 31.9871 34.8896 0.00197192 0.00153287 -4.2493e-05 33
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9899 235 H 24.5649 31.6767 37.1918 -0.00973566 -0.0136241 0.00844806 33
9900 236 H 24.538 29.697 38.3706 0.00339189 -0.0129356 0.00338834 33
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9905 241 H 26.2069 29.0541 40.5919 0.00112998 0.000593552 0.0010874 33
9906 242 H 27.3013 30.8272 42.0992 0.00586576 0.00462675 -0.00280653 33
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9908 244 H 24.8856 29.5697 43.4019 0.000484064 0.00254405 0.00600937 33
9909 245 H 26.3289 28.6647 42.8493 0.000362794 0.000965435 0.00583703 33
9910 246 H 26.7044 28.924 45.2189 0.0112277 0.0012943 0.00283316 33
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9912 248 H 26.1463 31.9309 44.8991 -0.0199244 0.00442818 0.00266672 33
9913 249 H 24.9223 30.784 45.4289 0.00213255 0.0007423 0.0073091 33
9914 250 H 27.4558 31.4569 46.9949 0.00212301 -0.00566498 0.00810139 33
9915 251 H 25.7132 31.8692 47.3901 -0.00027674 -0.00394143 0.00265169 33
9916 252 H 26.2866 30.1873 47.3924 0.00479244 0.000187245 -0.00927527 33
9917 253 H 34.0529 33.8231 34.1287 0.000324042 0.00562696 -0.0105287 33
9918 254 H 33.0225 35.1849 33.5903 -0.00198325 -0.00288713 -0.00164811 33
9919 255 H 31.5836 34.9536 35.5118 0.00412958 -0.000177595 -0.00517202 33
9920 256 H 32.6459 33.7109 36.2669 -0.00101443 -0.00390553 -0.0002232 33
9921 257 H 34.593 35.2216 36.1523 -0.00167196 -0.0119803 -0.00753219 33
9922 258 H 33.5857 36.4637 35.396 0.00164317 -0.00166531 -0.00336521 33
9923 259 H 34.1554 36.962 37.6323 0.000819231 -0.00194754 0.00251991 33
9924 260 H 32.4183 36.8406 37.456 -0.00785319 -0.0150422 0.0145958 33
9925 261 H 32.3789 34.7326 38.6937 0.0010234 0.0037776 -0.0106885 33
9926 262 H 34.0966 34.4578 38.3846 -0.00145732 -0.00269602 -0.00123957 33
9927 263 H 34.7943 36.1183 40.0512 -0.00188951 0.00628054 -0.00411731 33
9928 264 H 33.2042 36.8346 40.1386 -0.00336277 -0.000531373 0.000507915 33
9929 265 H 32.2916 35.1023 41.5115 0.00482245 -0.00231546 0.0150345 33
9930 266 H 33.6247 33.9645 41.1043 -0.00857251 0.00241802 -0.0117467 33
9931 267 H 35.229 35.1793 42.4255 0.00308124 -0.000523592 -0.0121437 33
9932 268 H 34.2302 36.6095 42.503 -0.0093398 -0.00156049 0.00530648 33
9933 269 H 32.6048 35.3834 43.9784 -0.00158246 -0.0186819 0.0168278 33
9934 270 H 33.7468 33.9804 43.9322 -0.000276427 -0.000864795 -0.0163338 33
9935 271 H 35.5145 35.2667 45.0832 -0.000961671 -0.00597477 0.01421 33
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9937 273 H 34.3522 36.4495 47.0885 -0.00430514 -0.00155737 0.00433429 33
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9939 275 H 33.5401 33.5989 46.5786 0.0181718 -0.0112591 0.000287742 33
9940 276 H 35.1174 34.2123 47.361 -0.000277604 -0.00650171 0.0129441 33
9941 277 H 33.5795 34.4223 48.1906 0.000985626 0.00437121 -0.000113938 33
9942 278 H 31.4093 26.3384 33.9834 -0.00371574 0.00233815 0.00169062 33
9943 279 H 33.1401 26.3469 33.6412 -0.00452385 0.00221865 -0.0100105 33
9944 280 H 31.8648 27.8906 35.9408 0.00612941 0.00810145 0.00365462 33
9945 281 H 33.5643 27.9406 35.5247 0.0119909 -0.0193501 0.00526978 33
9946 282 H 33.3887 25.2887 35.9448 0.00896766 0.00186168 0.0169125 33
9947 283 H 31.8903 25.741 36.7223 -0.00544652 0.0043176 -0.00533003 33
9948 284 H 33.3172 27.5455 38.0283 -0.00258839 -0.00541717 0.00902101 33
9949 285 H 34.683 26.6321 37.5524 0.0033302 -0.0100291 -0.00073407 33
9950 286 H 33.7353 24.6011 38.6658 0.00652141 -0.000552384 0.00567571 33
9951 287 H 32.1976 25.422 38.9941 0.00455178 -0.0152227 0.0119984 33
9952 288 H 33.5637 27.1467 40.3071 0.00803379 0.00229177 -0.00326906 33
9953 289 H 34.9869 26.1347 40.1474 -0.00376132 -0.00405907 -0.000827155 33
9954 290 H 33.6568 24.3044 41.3345 0.00821624 0.00360297 -0.00264082 33
9955 291 H 32.3318 25.4253 41.4398 0.00240648 -0.00524549 -0.00052957 33
9956 292 H 33.6219 26.9414 42.9074 -0.00857182 -0.00459394 0.00394394 33
9957 293 H 35.0313 25.9194 42.7895 -0.000287222 0.0142052 0.0107481 33
9958 294 H 33.8105 23.9841 43.7059 -0.00582398 -0.00449954 0.0055966 33
9959 295 H 32.3906 25.0151 43.9448 -0.00171903 -0.00576829 0.0138219 33
9960 296 H 35.1659 25.6205 45.1154 -0.000946968 0.00289963 0.0117494 33
9961 297 H 34.1234 24.4805 45.9314 -0.000191835 -0.00129059 -0.0093286 33
9962 298 H 32.4563 26.3252 46.352 0.00811756 -0.00972798 0.0228003 33
9963 299 H 33.4004 27.4093 45.2903 0.0078399 0.00171455 -0.00125995 33
9964 300 H 34.072 27.97 47.5601 0.00415849 0.00577367 -0.00708212 33
9965 301 H 35.4089 27.1177 46.8445 -0.00169329 0.0143415 0.00793922 33
9966 302 H 34.3013 26.227 47.927 0.0153039 -0.00348206 0.00241055 33
9967 1 C 37.0325 40.7621 30.563 -0.000129703 0.00387428 0.00427614 34
9968 2 C 37.1534 40.6412 29.1927 -0.000958055 0.00213847 -0.00199469 34
9969 3 C 36.733 39.4889 28.5482 -0.00171417 0.00195216 -0.000820743 34
9970 4 C 36.1045 38.4667 29.3227 -0.000243092 -0.00117015 -0.0017161 34
9971 5 C 35.8942 38.5912 30.7318 -0.000616811 -0.00298995 0.00079113 34
9972 6 C 36.3548 39.7789 31.3635 0.00402127 -0.00340118 -0.00392134 34
9973 7 C 31.4401 37.2666 30.1357 -0.00158974 0.000384429 -0.0077718 34
9974 8 C 31.6588 37.0663 28.7302 -7.28448e-05 0.00205614 -0.00620009 34
9975 9 C 32.9507 37.0713 28.2331 0.00234453 -0.00431682 -0.000919381 34
9976 10 C 34.0351 37.1943 29.1309 -0.00102575 0.000611121 -0.00183888 34
9977 11 C 33.8255 37.2977 30.5445 0.00081606 0.000977367 0.00216424 34
9978 12 C 32.5211 37.3916 31.0415 -0.00223747 0.00184318 0.00175003 34
9979 13 C 36.987 33.9257 31.1551 0.000442092 -0.00240957 -0.00292167 34
9980 14 C 37.251 33.9359 29.7688 0.00294049 0.00285212 -0.00295259 34
9981 15 C 36.7836 34.9508 28.9932 0.00533284 0.000764395 0.00391574 34
9982 16 C 36.1082 36.0321 29.559 -0.00237911 0.00308213 0.000363735 34
9983 17 C 35.5144 37.2036 28.7162 -0.00125798 0.00580745 -0.00465889 34
9984 18 O 36.1955 34.9665 33.1599 -0.000618427 -0.00111369 0.00603392 34
9985 19 O 32.2861 37.6262 32.385 -0.00116267 -0.00220926 0.000224334 34
9986 20 O 36.2351 39.9291 32.7366 -0.000360981 0.00352957 0.00339334 34
9987 21 C 36.3635 35.0192 31.7808 -0.00163391 -0.00305071 0.000597706 34
9988 22 C 35.8123 37.0717 27.2544 -0.00245344 0.00316057 0.000272787 34
9989 23 C 36.3379 37.0985 26.1733 0.00489801 -0.00595822 0.00293699 34
9990 24 C 37.0911 37.2144 24.9403 0.000974033 0.0016965 -0.00324318 34
9991 25 C 37.7626 36.0595 24.4823 -0.00521551 0.00247974 0.00439792 34
9992 26 C 38.6646 36.1945 23.3882 0.00278479 0.000105895 0.0007698 34
9993 27 C 38.8235 37.4044 22.7197 -0.00130997 0.00293195 0.00379413 34
9994 28 C 38.1114 38.5529 23.1532 -0.0023081 -0.00265066 0.00154172 34
9995 29 C 37.2249 38.4611 24.2592 -0.00306367 -0.00429992 -0.00427811 34
9996 30 C 39.6017 37.4672 21.4869 0.000686709 -0.00304395 -0.00016675 34
9997 31 C 40.0885 37.5038 20.3753 -0.00300821 -0.00142437 -0.00442555 34
9998 32 C 38.2142 34.3892 18.0068 0.00199965 -0.00215542 0.000452424 34
9999 33 C 38.3562 34.4018 16.5972 -0.00234193 -0.00336137 0.0008823 34
10000 34 C 39.1434 35.4222 15.9995 -0.000941476 -0.00163912 0.00129725 34
10001 35 C 39.703 36.3887 16.8329 -0.00199465 -0.000350023 -0.00256283 34
10002 36 C 39.5691 36.3807 18.2378 0.000511807 -0.00101469 0.00119196 34
10003 37 C 38.8085 35.3612 18.8066 0.000482949 -0.000995572 -0.00209205 34
10004 38 C 40.3419 37.5097 18.9342 0.00250493 -0.000812897 -0.000514682 34
10005 39 C 44.2321 37.2548 18.7701 0.000624227 -0.00233273 0.000532722 34
10006 40 C 44.378 37.1765 17.3512 -0.00408406 -0.000614015 0.00214717 34
10007 41 C 43.243 37.0593 16.5176 -0.000604245 -0.00256807 -0.00214719 34
10008 42 C 41.9791 37.245 17.1254 -0.00657573 -0.000421587 -0.000402503 34
10009 43 C 41.7999 37.2932 18.5053 -0.00208016 0.0018075 -0.00244996 34
10010 44 C 42.9328 37.3344 19.3284 0.00509914 -0.00158477 0.000452057 34
10011 45 C 39.4708 41.1453 18.0882 -0.00523858 -0.00430638 0.0040747 34
10012 46 C 39.8643 41.1837 16.7268 0.000944739 -0.000598129 0.00228862 34
10013 47 C 40.2191 39.9954 16.0683 0.000285872 -0.000193353 0.00434165 34
10014 48 C 40.2068 38.8066 16.7996 -0.00149109 -0.00143262 -0.00326123 34
10015 49 C 40.702 37.4452 16.3305 0.00184152 -0.000241657 -0.000559193 34
10016 50 C 39.9507 38.7853 18.1832 0.00335836 0.00609901 -0.00428553 34
10017 51 C 39.5472 39.972 18.8405 -0.00360884 0.00145485 0.00213416 34
10018 52 O 43.4364 36.9412 15.154 0.00328367 -0.00390986 -0.00148664 34
10019 53 O 39.3661 35.4449 14.6389 0.00414826 -0.00262491 0.000680874 34
10020 54 O 40.6484 39.9552 14.7525 -0.00285047 -0.000457291 0.00131079 34
10021 55 C 35.1469 37.3824 31.3875 -0.00427753 0.00131134 0.00097775 34
10022 56 C 35.9155 36.0985 30.9591 -0.0023709 0.00370111 0.000660331 34
10023 57 C 42.7432 36.0824 14.2403 0.00290715 0.00231787 0.00283282 34
10024 58 C 42.0753 36.9093 13.1404 0.00292815 -0.00230738 0.00309828 34
10025 59 C 42.5941 36.575 11.7114 0.00181863 0.00324273 -0.00306542 34
10026 60 C 41.7871 37.3603 10.6822 0.00191828 0.00396268 -0.00565131 34
10027 61 C 42.4084 37.3178 9.26756 0.000578585 0.000777427 -0.000993139 34
10028 62 C 41.5665 38.0892 8.21009 0.00132396 0.0020541 0.000425921 34
10029 63 C 42.1995 38.1042 6.80492 0.00111632 -0.00201807 0.00291039 34
10030 64 C 41.5372 37.1208 5.78677 0.00115709 0.00213723 -0.00391583 34
10031 65 C 42.3049 36.9684 4.44823 2.11953e-05 1.34985e-05 0.00227574 34
10032 66 C 42.2486 38.2505 3.54121 -0.000191645 0.00532223 -0.00211871 34
10033 67 C 42.5859 37.9698 2.04914 -0.00306354 -0.00105337 0.000537903 34
10034 68 C 41.5058 37.1558 1.33942 0.00136102 -0.00443867 -0.00317722 34
10035 69 F 39.2971 35.0622 22.9743 -6.39856e-05 0.00140257 0.00467315 34
10036 70 C 39.1063 34.3192 13.8102 -0.00179433 0.00253248 -0.00134873 34
10037 71 C 39.341 34.8467 12.4102 -0.00300051 4.94699e-05 -0.00152418 34
10038 72 C 38.8955 33.802 11.3864 -0.00187181 0.000674497 7.3538e-05 34
10039 73 C 39.5433 34.0548 10.0529 0.000321135 -0.00255552 0.00247282 34
10040 74 C 38.7883 35.1031 9.17989 0.00414019 0.00146896 -0.00299755 34
10041 75 C 38.0664 34.4333 7.99762 -0.00170715 -0.000946006 0.000735448 34
10042 76 C 38.1778 35.2753 6.733 0.00035098 -0.00119827 -0.00159461 34
10043 77 C 37.8068 34.4592 5.48959 -0.000642508 0.00496123 0.00260477 34
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10253 287 H 36.1517 34.3 38.125 0.00466366 0.00187878 0.0150362 34
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10271 3 C 40.4753 32.7349 29.0681 -0.000511384 0.00385553 0.0010854 35
10272 4 C 39.8531 31.7147 29.8229 -0.00182353 -0.000796523 -0.00100647 35
10273 5 C 39.6916 31.8016 31.2237 0.0052884 -0.00214344 -0.00413553 35
10274 6 C 40.1967 32.9397 31.9069 -0.00195764 0.0012814 0.000733414 35
10275 7 C 35.1715 30.695 30.5656 -0.00472219 -0.00296288 -0.00196714 35
10276 8 C 35.3777 30.5987 29.1777 -0.00321373 0.000663742 -0.00361681 35
10277 9 C 36.6712 30.5252 28.6483 0.00120419 0.00138387 -0.00318842 35
10278 10 C 37.7434 30.5219 29.5805 0.00135304 -6.13644e-05 -0.00306948 35
10279 11 C 37.5704 30.5583 30.9884 0.000173937 0.00194224 0.00359333 35
10280 12 C 36.2496 30.6778 31.4942 -0.00102859 0.00384626 -0.00360975 35
10281 13 C 40.7889 27.1683 31.4683 0.00194692 -0.000891385 0.00383144 35
10282 14 C 40.9984 27.1556 30.1004 -0.000778606 0.00301338 0.00240614 35
10283 15 C 40.5333 28.2134 29.3244 -0.000415271 0.000366526 -0.00115975 35
10284 16 C 39.8238 29.2765 29.9134 -0.00109094 -0.00400547 0.000699634 35
10285 17 C 39.2415 30.4632 29.1546 0.00260022 -0.000253662 -0.0067043 35
10286 18 O 40.0098 28.2077 33.502 -0.000821115 0.000890037 0.000674491 35
10287 19 O 35.9667 30.7108 32.8758 -0.00577279 0.00131464 -0.00199933 35
10288 20 O 40.0797 33.1302 33.2949 0.00111694 -0.000985697 -0.00289645 35
10289 21 C 40.1404 28.2423 32.1085 -0.00303132 -0.00176523 0.00340157 35
10290 22 C 39.5689 30.4337 27.7162 0.00570685 0.00232963 0.002151 35
10291 23 C 40.0728 30.4635 26.6021 -0.000754763 -0.00130594 -0.000749011 35
10292 24 C 40.8077 30.4931 25.3934 -0.00258159 -0.0051876 -0.000202045 35
10293 25 C 40.7789 31.6205 24.5342 -0.00218823 -0.00368865 0.00414903 35
10294 26 C 41.6886 31.7146 23.4506 -0.00308209 0.00334589 -0.00355464 35
10295 27 C 42.6291 30.6987 23.2422 0.00266464 0.00534899 -0.000741431 35
10296 28 C 42.6663 29.5844 24.0958 0.00512657 0.00254402 -0.00126512 35
10297 29 C 41.7599 29.4548 25.1784 -0.00192793 -0.00352022 -0.00290335 35
10298 30 C 43.4634 30.7177 22.0683 -0.000145431 0.00121817 -0.000932975 35
10299 31 C 43.9631 30.6765 20.9463 0.000541694 0.0015716 0.00409555 35
10300 32 C 42.7151 27.1902 18.7248 -0.00154025 0.00237359 -0.000550533 35
10301 33 C 42.868 27.2141 17.3216 -0.00465104 0.00153059 -0.00218635 35
10302 34 C 43.4107 28.3317 16.6661 -0.00163781 -0.00242542 -0.00190068 35
10303 35 C 43.8003 29.4432 17.4306 0.00251575 -0.00109459 -0.00174888 35
10304 36 C 43.6752 29.432 18.8306 -0.00215109 0.0028938 -0.00143345 35
10305 37 C 43.0861 28.3218 19.4715 -0.000831796 0.000492666 0.00501897 35
10306 38 C 44.2452 30.7019 19.5059 -0.00142943 0.0002876 -0.00210091 35
10307 39 C 48.1261 30.7892 19.122 0.00159479 0.00242582 0.00166242 35
10308 40 C 48.2304 30.973 17.7284 -0.00273003 -0.0004511 0.00203465 35
10309 41 C 47.0837 30.9991 16.966 0.000421998 0.00180819 0.00793287 35
10310 42 C 45.813 30.7874 17.5684 0.0045157 -0.00124202 0.00309954 35
10311 43 C 45.7003 30.7439 18.9845 0.00197351 0.00131962 0.0063852 35
10312 44 C 46.8817 30.7346 19.7586 -0.000766835 -0.00248746 -0.00116568 35
10313 45 C 42.0504 33.7865 18.6865 -0.00289222 0.000200518 0.00313796 35
10314 46 C 42.2083 33.8485 17.2934 -0.00248226 -0.00389206 -0.00382113 35
10315 47 C 43.0384 32.9222 16.6177 -0.0014443 0.0013727 0.000479459 35
10316 48 C 43.6473 31.885 17.3808 0.00466131 0.000991895 -0.000754071 35
10317 49 C 44.4555 30.7107 16.8346 0.00127097 0.00113065 -0.000696478 35
10318 50 C 43.4848 31.8408 18.7987 -0.00535165 -0.0030325 -0.00425617 35
10319 51 C 42.7131 32.7878 19.4316 0.00201731 -0.00376313 -0.00137789 35
10320 52 O 47.2468 31.4196 15.6463 -0.00396138 -0.00180341 -0.00239251 35
10321 53 O 43.5141 28.3832 15.2749 0.000944104 0.00150496 -0.00139774 35
10322 54 O 43.1878 33.0582 15.2528 -0.000334132 0.000713787 0.0042195 35
10323 55 C 38.8775 30.5836 31.7782 -0.000978573 0.00123405 -0.00305179 35
10324 56 C 39.6662 29.3156 31.317 -0.00607087 -0.000118012 0.00145846 35
10325 57 C 47.0312 30.586 14.5303 -0.00203102 -0.00289039 0.00175425 35
10326 58 C 46.7347 31.4436 13.2661 -0.000412134 0.000493716 0.000517821 35
10327 59 C 46.5504 30.5725 11.9583 0.00318233 -0.000797309 0.00519904 35
10328 60 C 46.3597 31.2988 10.6081 1.29167e-06 -0.00276674 -6.04244e-05 35
10329 61 C 46.3351 30.3334 9.37563 0.00196039 -0.00293514 0.00226378 35
10330 62 C 46.2192 31.0583 8.00819 0.000998997 -0.002311 -0.00525135 35
10331 63 C 46.1665 30.0923 6.78469 -0.00185386 -0.000934719 -0.000590593 35
10332 64 C 46.0682 30.8515 5.41558 0.000774085 0.00167107 0.00122878 35
10333 65 C 45.9852 29.8513 4.24716 0.00110057 -0.00244608 -0.000643098 35
10334 66 C 45.7153 30.4709 2.86163 0.000104412 -0.00225409 0.000904355 35
10335 67 C 46.8702 31.1665 2.13139 -0.00196766 0.00171608 -0.00157717 35
10336 68 C 46.5608 31.2072 0.651391 -0.000753209 0.00567945 -0.00293778 35
10337 69 F 41.5636 32.8048 22.6502 -0.000634314 0.000630082 0.000874713 35
10338 70 C 44.0464 27.2365 14.5621 0.00191383 -0.00152384 -0.00095481 35
10339 71 C 44.9145 27.8899 13.4509 0.00028997 -0.000655859 0.00106098 35
10340 72 C 45.0043 27.2496 12.0315 0.00329259 -0.0011263 0.000267438 35
10341 73 C 45.1829 25.7349 11.993 -0.000740119 0.000356282 0.000656733 35
10342 74 C 46.0276 25.2324 10.7694 -0.00400788 -0.00281393 0.00104814 35
10343 75 C 45.8278 26.0197 9.41262 -0.00267901 -0.00243149 -0.00144123 35
10344 76 C 46.3163 25.3177 8.11949 -0.00269835 -0.00177242 -0.00015226 35
10345 77 C 46.0834 26.1709 6.83856 -0.000291901 0.000723268 0.00436988 35
10346 78 C 46.5466 25.4745 5.57414 0.00596964 -0.00766043 0.00223404 35
10347 79 C 46.2688 26.3353 4.31888 -0.00536672 -0.000347023 -0.00082686 35
10348 80 C 46.9505 25.7942 3.0331 -0.00101625 -0.00265699 -0.00227514 35
10349 81 C 46.6543 26.6189 1.80206 0.000768479 -0.00248563 -0.00231628 35
10350 82 C 42.1788 32.6221 14.3234 -6.78536e-05 -0.00550253 0.00161633 35
10351 83 C 42.7942 31.418 13.6112 -0.00138127 0.00197956 -0.00260602 35
10352 84 C 42.5027 31.2392 12.1324 -0.00295658 0.00305086 -0.0012621 35
10353 85 C 42.6597 32.5466 11.2622 -0.000934129 -0.000189205 0.00193093 35
10354 86 C 42.5083 32.2221 9.76152 0.00218828 0.00147017 0.00207457 35
10355 87 C 42.8777 33.417 8.83442 0.0011794 -0.00237932 -0.00171465 35
10356 88 C 41.9191 33.824 7.68474 0.00181196 -0.00384205 0.00277109 35
10357 89 C 41.286 32.6933 6.87248 0.000943939 -0.00296137 0.000561303 35
10358 90 C 42.2765 32.0576 5.85871 -0.00205197 0.00106473 -0.00367176 35
10359 91 C 42.688 32.8455 4.59554 -0.000899437 -0.00276471 -0.000459417 35
10360 92 C 41.5617 33.099 3.5852 0.00430386 -0.00110843 -0.00254642 35
10361 93 C 42.1663 33.2648 2.14013 -0.00484252 -0.00201088 -0.000517198 35
10362 94 C 34.6284 31.092 33.364 0.00274313 -0.00400526 -0.000107643 35
10363 95 C 34.4053 30.8067 34.8915 -0.0044086 0.00146697 0.00045123 35
10364 96 C 32.975 30.8611 35.4127 -0.00383166 0.00058111 0.00502062 35
10365 97 C 32.801 30.4806 36.8605 -0.00368242 0.00678747 0.00222108 35
10366 98 C 33.7498 31.2414 37.8242 0.00351111 -0.0016375 -0.00118311 35
10367 99 C 33.2863 31.2708 39.2915 -0.00307519 0.00431737 0.0073803 35
10368 100 C 33.5725 30.0015 40.0844 0.000407381 -0.00183502 0.000837422 35
10369 101 C 33.0555 29.94 41.5561 -5.37968e-05 0.00226538 0.000373918 35
10370 102 C 33.7008 30.8617 42.5514 0.000905822 -0.00328846 -0.00205802 35
10371 103 C 33.2555 30.5453 43.9747 -0.00284676 -0.00621443 -0.000488532 35
10372 104 C 34.2034 31.1338 45.0367 0.00280232 -0.00237955 -0.00517796 35
10373 105 C 33.8005 30.849 46.4925 -0.000284427 -0.00431092 0.00453256 35
10374 106 C 40.7183 34.3494 33.8329 -0.00127404 0.000510344 -0.00148322 35
10375 107 C 40.623 34.5691 35.3663 -0.00201007 0.00133346 0.00105987 35
10376 108 C 41.3235 35.8646 35.7081 0.00199175 -5.00751e-05 -0.00410982 35
10377 109 C 41.1706 36.2377 37.1786 0.000635834 0.00173438 -0.0032495 35
10378 110 C 42.0712 35.4386 38.1245 3.15671e-05 0.00221643 -0.0025068 35
10379 111 C 41.8756 35.7544 39.6366 0.00164314 -0.00320307 0.00229761 35
10380 112 C 40.5493 35.3252 40.2147 -0.00210469 0.000987697 0.0017273 35
10381 113 C 40.5386 34.6805 41.643 0.00541312 -0.00462849 -0.00116652 35
10382 114 C 41.1644 35.5587 42.7417 -0.000172425 0.00179343 -0.000720141 35
10383 115 C 40.7501 35.0194 44.121 -0.00291778 0.000523313 -0.00205961 35
10384 116 C 41.5538 35.716 45.2389 0.00216943 -0.00170522 0.000499839 35
10385 117 C 41.1909 35.2132 46.6397 -0.000679927 -0.00355857 -0.00131588 35
10386 118 C 40.4977 27.0961 34.2945 -0.004202 0.00176139 -0.000998899 35
10387 119 C 40.0788 27.1614 35.7662 0.00547417 -0.00141458 0.00229303 35
10388 120 C 41.2369 26.5356 36.5437 -8.62614e-05 0.00270656 0.00460822 35
10389 121 C 40.981 26.5655 38.0493 -0.00333716 0.000157759 -0.000219548 35
10390 122 C 42.2158 26.0229 38.8114 0.00392347 -0.00293234 -0.000883521 35
10391 123 C 42.2115 26.2051 40.3438 0.00311395 -0.00134579 -0.00166328 35
10392 124 C 41.0927 25.4895 41.0912 0.0015283 -0.000312702 0.00393023 35
10393 125 C 41.3181 25.3304 42.6158 -0.00330507 -0.00063496 0.0024313 35
10394 126 C 41.5441 26.6689 43.3758 0.00227534 0.000982978 -0.0071597 35
10395 127 C 41.356 26.5415 44.8988 0.00159192 -0.0004173 -0.00184418 35
10396 128 C 42.3287 25.5532 45.5581 -0.0033974 0.00129268 0.00214406 35
10397 129 C 42.2437 25.4834 47.0718 -0.00309701 -5.26529e-05 -0.00142538 35
10398 130 F 39.8937 32.6197 24.7306 0.00392008 0.000768151 -0.00369596 35
10399 131 H 41.22 34.8498 31.5502 0.0123733 -0.000248271 -0.0136538 35
10400 132 H 41.4318 34.6145 29.1639 -0.000759231 -0.00677744 -0.000158582 35
10401 133 H 40.5531 32.7522 27.985 -0.0032353 -0.00302113 0.000786831 35
10402 134 H 34.1307 30.7218 30.8744 -0.00648086 0.0144961 -0.00942859 35
10403 135 H 34.5323 30.6101 28.4962 -0.00928389 -0.00905245 0.00376185 35
10404 136 H 36.8461 30.4214 27.5815 0.00119425 0.0148782 -0.00449021 35
10405 137 H 41.1899 26.2962 31.9765 0.00789509 -0.00175443 -0.00230077 35
10406 138 H 41.4995 26.2749 29.71 0.00254747 0.0104671 -0.0100006 35
10407 139 H 40.7021 28.1449 28.2538 0.00499911 0.0236082 -0.00177417 35
10408 140 H 43.3651 28.7701 23.928 -0.0163447 -0.014769 -0.00683399 35
10409 141 H 41.8479 28.5875 25.8261 -0.0102325 -0.0060759 -0.00520776 35
10410 142 H 42.3718 26.2821 19.2114 -0.000355475 0.00178967 -0.000798912 35
10411 143 H 42.494 26.3767 16.7401 -0.00847356 -0.00286798 0.00660052 35
10412 144 H 42.9598 28.2796 20.5493 -0.00466633 0.00466795 0.00473188 35
10413 145 H 49.044 30.7399 19.7005 0.00342037 -0.00387604 -0.00176009 35
10414 146 H 49.2188 31.0726 17.2898 0.00255108 0.00549149 0.0152095 35
10415 147 H 46.8759 30.6165 20.8382 0.00717815 0.00397523 -0.000409091 35
10416 148 H 41.4006 34.4902 19.1982 0.0076031 0.01681 -0.00639887 35
10417 149 H 41.6958 34.6001 16.7002 -0.00668069 0.00154914 0.00673032 35
10418 150 H 44.4833 30.6113 15.7425 -0.0101678 -0.0139066 0.000332429 35
10419 151 H 42.5747 32.8254 20.5081 -0.0176237 -0.0101516 -0.00367114 35
10420 152 H 38.7548 30.6215 32.8677 -0.013497 0.015302 -0.00496863 35
10421 153 H 47.9279 29.9699 14.3897 0.00999321 0.0116782 0.0144215 35
10422 154 H 46.1447 29.9658 14.7118 0.00377054 -0.005983 0.0194334 35
10423 155 H 47.5727 32.1226 13.0658 -0.00440751 0.00288954 -0.0081246 35
10424 156 H 45.8341 32.0282 13.4911 0.00670007 0.00953761 0.00543785 35
10425 157 H 45.6234 29.9947 12.0591 0.00923402 -0.00876588 0.0151243 35
10426 158 H 47.3557 29.83 11.8998 -0.00678748 -0.0130168 0.0225902 35
10427 159 H 47.1453 32.0522 10.4716 -0.0126173 0.0113894 0.0054961 35
10428 160 H 45.3998 31.823 10.693 0.00528058 0.00927553 -0.0150611 35
10429 161 H 45.5019 29.6388 9.53874 0.00519525 -0.00427656 0.0132259 35
10430 162 H 47.1939 29.6523 9.41935 0.00482159 0.0014546 0.0146447 35
10431 163 H 47.0308 31.7779 7.84409 0.00354151 -0.00656863 -0.0113863 35
10432 164 H 45.2966 31.6489 8.06721 0.00701208 0.0057378 0.00855895 35
10433 165 H 45.338 29.3815 6.89339 0.00197687 -0.00461497 0.00455896 35
10434 166 H 47.0729 29.4746 6.76764 0.000914493 0.00320246 -0.00328105 35
10435 167 H 46.9363 31.5116 5.29667 -0.00256021 0.002811 -0.0166932 35
10436 168 H 45.1633 31.4717 5.41241 0.00733899 0.0112618 0.00662379 35
10437 169 H 45.277 29.0505 4.49344 -0.00373055 0.00730639 0.0172143 35
10438 170 H 46.9922 29.4185 4.20209 -0.00118001 -0.00829791 0.00477783 35
10439 171 H 44.8739 31.1723 2.92028 -0.00342058 -0.00671039 0.00361804 35
10440 172 H 45.37 29.6624 2.20549 -0.0114879 -0.00355306 0.00860488 35
10441 173 H 47.7696 30.5602 2.29573 0.00395028 0.00824447 -0.00996002 35
10442 174 H 47.0575 32.1697 2.53369 -0.0189555 0.0100066 -0.0144057 35
10443 175 H 45.5609 31.6314 0.497782 -0.00560296 -0.00200155 0.00739914 35
10444 176 H 46.5249 30.1839 0.257777 -0.00141602 0.00889571 -0.0112289 35
10445 177 H 47.2742 31.7994 0.0650065 0.00653824 -0.00352227 -0.0033421 35
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10447 179 H 43.2415 26.6111 14.1567 -0.0112227 0.0119053 0.00436418 35
10448 180 H 44.4516 28.8764 13.325 0.0182781 0.00766206 0.000390267 35
10449 181 H 45.9022 28.0387 13.9047 0.00663285 -0.0168323 -0.00746864 35
10450 182 H 44.1442 27.4874 11.3935 0.00775509 0.0035307 -0.00400971 35
10451 183 H 45.8744 27.6891 11.5284 0.00787948 -0.00447147 0.00527026 35
10452 184 H 45.6682 25.3989 12.9177 -0.00712548 0.00772638 0.00668596 35
10453 185 H 44.1906 25.269 11.9505 -0.00756948 0.0140201 0.0105673 35
10454 186 H 47.0969 25.2163 11.0141 -0.00660518 0.000701256 0.0125986 35
10455 187 H 45.7282 24.1939 10.5812 0.00190728 -0.00170608 -0.0145478 35
10456 188 H 44.7517 26.2136 9.32432 -0.00281041 -0.00307081 -0.00125792 35
10457 189 H 46.3646 26.9706 9.51758 0.00039598 -0.00509823 0.00716608 35
10458 190 H 47.4022 25.1783 8.19001 -0.00319452 -0.00868706 -0.00623981 35
10459 191 H 45.8571 24.3361 7.9488 0.0104813 -0.00978444 0.0104919 35
10460 192 H 45.0038 26.3373 6.7369 0.000797317 0.0152848 0.0167742 35
10461 193 H 46.6124 27.129 6.91289 -0.000827471 0.00163246 -0.00348878 35
10462 194 H 47.6256 25.3369 5.71693 0.00407989 -0.0223418 0.0023013 35
10463 195 H 46.1119 24.4697 5.50508 0.0162819 -0.0112979 -0.00980503 35
10464 196 H 45.1848 26.4311 4.18062 -0.00403302 -0.00277687 -0.0129192 35
10465 197 H 46.6773 27.339 4.48897 0.00200584 -0.00313411 -0.00207567 35
10466 198 H 48.0329 25.815 3.21041 -0.00111219 -0.000321512 -0.00195277 35
10467 199 H 46.6811 24.7496 2.83423 -0.00689383 -0.00284285 0.00669046 35
10468 200 H 47.2002 26.1656 0.965373 -0.00371835 -0.0106596 -0.000818801 35
10469 201 H 45.5876 26.6707 1.55138 0.00210877 0.00396405 -0.00672803 35
10470 202 H 47.0206 27.6416 1.9546 -0.00453442 -0.00216239 0.00826597 35
10471 203 H 41.2546 32.3106 14.8255 -0.00324143 -0.00662154 -0.00490271 35
10472 204 H 41.9482 33.4405 13.6302 0.00200141 0.00027966 0.00775638 35
10473 205 H 43.876 31.4436 13.7918 -0.00212132 0.0151587 2.76803e-05 35
10474 206 H 42.4451 30.5288 14.1505 0.00325956 0.00639478 0.00769508 35
10475 207 H 43.236 30.5305 11.728 -0.010855 -0.00796241 0.00376413 35
10476 208 H 41.5164 30.7828 11.9833 -0.00303469 0.000239488 0.00786516 35
10477 209 H 41.8715 33.2379 11.5851 0.00122958 0.00430005 -0.0024369 35
10478 210 H 43.6186 33.0263 11.4942 0.00122108 -0.00713994 0.00743003 35
10479 211 H 43.0779 31.3155 9.52259 0.0010093 0.00391709 -0.0099697 35
10480 212 H 41.4683 31.9207 9.58522 0.000858666 0.002365 0.00843694 35
10481 213 H 43.0139 34.2964 9.47594 -0.00308699 -0.00929795 0.00868692 35
10482 214 H 43.8558 33.195 8.39014 0.00399872 -0.0109652 0.0087687 35
10483 215 H 41.0839 34.414 8.08198 -0.0104693 -0.014715 -0.00684987 35
10484 216 H 42.4658 34.4861 7.002 -0.00273236 -0.00649075 -0.00344285 35
10485 217 H 40.9731 31.9278 7.59328 0.0139031 -0.00352586 0.00564272 35
10486 218 H 40.427 33.0819 6.31166 0.0052843 0.00976646 0.00271849 35
10487 219 H 43.2067 31.7699 6.36401 -0.00559777 -0.00364981 0.000155751 35
10488 220 H 41.813 31.1261 5.51109 0.00506557 -0.00317909 -0.00178894 35
10489 221 H 43.1293 33.8073 4.88472 0.00216236 -0.00758653 0.0108991 35
10490 222 H 43.5019 32.2948 4.10791 -0.00242361 -0.0145915 0.0103597 35
10491 223 H 40.8867 32.2344 3.60016 0.0085152 -0.00442424 -0.00429379 35
10492 224 H 40.9199 33.9507 3.84238 0.00488749 -0.00258005 0.00375511 35
10493 225 H 42.8249 34.1387 2.06177 -0.00715912 0.000870381 0.0122261 35
10494 226 H 42.7049 32.3812 1.77602 0.0106423 0.00565382 0.00388179 35
10495 227 H 41.3925 33.3367 1.36587 -0.00911668 -0.00164917 0.00380276 35
10496 228 H 34.4069 32.1345 33.104 -0.00774748 -0.00819612 -0.00808221 35
10497 229 H 33.8349 30.5238 32.8632 0.0058006 -0.00210381 -0.00709977 35
10498 230 H 34.7531 29.7946 35.1325 -0.0105849 -0.00256403 -0.00757926 35
10499 231 H 35.0235 31.5372 35.4279 -0.0194812 0.00754895 0.00951653 35
10500 232 H 32.5853 31.8783 35.2824 0.0118569 0.00672714 0.00599673 35
10501 233 H 32.3342 30.1845 34.834 0.0103129 -0.00602433 -0.00292036 35
10502 234 H 31.7771 30.7019 37.186 -0.00496422 0.00207747 0.00136675 35
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10504 236 H 34.7843 30.8902 37.7246 0.00451189 0.00400366 -0.0109199 35
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10506 238 H 33.7249 32.1371 39.802 -0.00397194 0.00799716 0.00191256 35
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10510 242 H 31.9792 30.1494 41.593 0.00124181 0.00892911 0.000452952 35
10511 243 H 33.1935 28.9054 41.8937 -0.00271159 0.00420691 0.00739778 35
10512 244 H 34.7854 30.7564 42.4249 0.00246897 0.00593338 0.00368583 35
10513 245 H 33.48 31.9178 42.3534 -0.0165048 -0.00610779 0.00235827 35
10514 246 H 32.2288 30.8615 44.1964 -0.00502513 -0.00709916 -0.00939596 35
10515 247 H 33.2946 29.4544 44.0836 0.00492685 -0.00630208 -0.00409641 35
10516 248 H 35.181 30.7008 44.7911 0.00355698 -0.00602233 0.00434329 35
10517 249 H 34.2814 32.2145 44.8654 0.00349566 -0.00231512 -0.00444859 35
10518 250 H 32.8544 31.3808 46.6517 0.00292665 0.00546516 -0.00878192 35
10519 251 H 33.6469 29.7739 46.6478 0.00287824 -0.0058477 -0.0029382 35
10520 252 H 34.5956 31.261 47.1261 0.00800984 0.00672933 -0.0129746 35
10521 253 H 41.788 34.3818 33.5918 0.00096578 0.0107519 0.00974686 35
10522 254 H 40.2032 35.1765 33.3288 0.0139065 0.0143556 0.00580642 35
10523 255 H 39.5779 34.6457 35.6907 0.00156183 -0.0118533 0.0156144 35
10524 256 H 41.1469 33.7893 35.9328 0.00486952 0.000687659 -0.00618521 35
10525 257 H 42.3757 35.8315 35.3997 0.00390569 0.0039587 0.0020035 35
10526 258 H 40.8353 36.6811 35.1617 -0.000209921 0.00147099 0.000109233 35
10527 259 H 41.486 37.2872 37.2289 0.00317919 0.00138819 -0.0116072 35
10528 260 H 40.1099 36.1388 37.4406 0.00534965 -0.0176294 0.00850671 35
10529 261 H 41.9465 34.3593 37.9729 -0.00659289 0.00498605 -0.0166358 35
10530 262 H 43.1148 35.6715 37.8791 0.00438066 -0.0114775 0.00298946 35
10531 263 H 42.6441 35.1765 40.1646 0.00558803 -0.000299335 -0.00026811 35
10532 264 H 42.0429 36.8211 39.8301 -0.007657 0.00106103 -0.0132566 35
10533 265 H 39.9395 36.2359 40.2609 -0.00201186 0.00106224 0.00148034 35
10534 266 H 40.0822 34.6423 39.4944 0.0121914 0.00152875 -0.00808653 35
10535 267 H 39.4951 34.5944 41.9703 0.00828165 -0.00180989 0.0087895 35
10536 268 H 40.952 33.6658 41.5894 0.0160726 9.46074e-05 -0.00830392 35
10537 269 H 42.257 35.5851 42.6472 0.000240611 -0.00536299 0.0020765 35
10538 270 H 40.8058 36.5934 42.6762 -0.00369787 0.00128769 0.0103895 35
10539 271 H 39.6589 35.0471 44.23 -0.00195929 -0.0134892 0.0110944 35
10540 272 H 41.0348 33.9607 44.0847 -0.0103393 -0.00201613 0.0148785 35
10541 273 H 42.6258 35.6239 45.0248 0.00152584 -0.00107422 -0.00301777 35
10542 274 H 41.324 36.7886 45.2258 0.0107593 0.000269993 0.0114643 35
10543 275 H 40.1389 35.3993 46.8888 0.0036685 0.0178125 0.00102668 35
10544 276 H 41.3393 34.1305 46.736 0.0123101 -0.000888202 0.00840378 35
10545 277 H 41.7874 35.7839 47.3621 0.00531158 -0.002087 -0.00741685 35
10546 278 H 40.0946 26.1729 33.8604 -0.00483712 -0.000481292 0.00437879 35
10547 279 H 41.5822 26.9922 34.1658 -0.0047262 0.000578496 -0.00450789 35
10548 280 H 39.143 26.6142 35.934 -0.00493892 0.0165689 0.00282152 35
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10550 282 H 42.1141 27.1759 36.3887 0.00256842 -0.00353636 -0.00606237 35
10551 283 H 41.4565 25.5327 36.1573 -0.0142537 0.000561442 0.00210738 35
10552 284 H 40.121 25.903 38.207 0.00306516 -0.00584483 0.00939981 35
10553 285 H 40.6949 27.5569 38.4215 -0.0156297 -0.00543184 0.00527449 35
10554 286 H 43.1208 26.5091 38.4268 0.0100976 -0.0156425 -0.00242034 35
10555 287 H 42.3521 24.9528 38.6121 -0.00742519 -0.00677596 0.0119314 35
10556 288 H 42.1731 27.27 40.6044 -0.00451779 -0.00455347 0.0103395 35
10557 289 H 43.1674 25.8475 40.746 -0.00137388 0.011229 0.0202227 35
10558 290 H 40.917 24.4961 40.6604 -0.000664976 0.00151211 0.000619985 35
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10562 294 H 40.7247 27.3155 43.0381 -0.00182413 0.00410513 0.00874447 35
10563 295 H 42.5281 27.1101 43.1744 -0.00273661 0.0200745 0.0101016 35
10564 296 H 40.3311 26.2699 45.1802 0.00031822 0.017886 0.0112564 35
10565 297 H 41.534 27.5318 45.3359 -0.0144484 -0.000564714 0.00501722 35
10566 298 H 43.3406 25.8251 45.2333 -0.00306436 -0.0119974 -0.00795748 35
10567 299 H 42.0889 24.5724 45.1291 0.0101441 -0.0136121 0.0287915 35
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10572 2 C 45.1343 40.552 30.0486 -0.000510068 -0.000308918 -0.000216597 36
10573 3 C 44.617 39.5152 29.2294 -0.00247643 -0.00335344 -0.00199105 36
10574 4 C 43.8638 38.4717 29.8369 0.00316216 -0.00218328 -0.00202952 36
10575 5 C 43.6061 38.4937 31.2301 0.00262964 -0.000346511 -0.000305302 36
10576 6 C 44.0804 39.564 32.0085 -0.00288989 0.00264097 -0.00372559 36
10577 7 C 39.2026 37.3882 30.3092 0.00214426 0.00235762 0.00417288 36
10578 8 C 39.4865 37.4037 28.9378 -0.000220418 0.00266174 -0.0012572 36
10579 9 C 40.8017 37.4245 28.4827 -9.17873e-05 0.00156437 0.00107296 36
10580 10 C 41.8366 37.3118 29.4328 -0.000859128 -0.00185935 -0.00234064 36
10581 11 C 41.549 37.2961 30.8321 -0.00273759 0.002877 0.000348053 36
10582 12 C 40.2116 37.3274 31.2708 0.00335046 -0.00220312 -5.2685e-05 36
10583 13 C 44.9279 34.0397 31.5038 -0.000339818 -0.000950422 -0.00125689 36
10584 14 C 45.0859 33.9929 30.0995 0.00184691 0.0028928 -0.00623207 36
10585 15 C 44.496 34.9675 29.2758 -0.00310744 0.00269943 -0.00108046 36
10586 16 C 43.8758 36.0548 29.9005 8.22294e-05 -0.00247964 -0.000212381 36
10587 17 C 43.337 37.2544 29.0925 -5.62567e-05 0.000640155 0.00231675 36
10588 18 O 44.1648 35.156 33.5262 0.00192322 -0.00348427 -0.00211062 36
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10590 20 O 43.7604 39.6057 33.3605 5.32876e-06 0.00128222 -0.00719248 36
10591 21 C 44.1778 35.0446 32.1186 -0.00202936 -0.00177959 0.00222612 36
10592 22 C 43.73 37.2319 27.7186 -0.00165595 -0.0034561 0.00345 36
10593 23 C 44.2103 37.3372 26.6241 0.00185019 -0.00100619 -0.0024659 36
10594 24 C 44.9946 37.4313 25.4475 0.000733255 -0.000272864 0.00180859 36
10595 25 C 45.43 38.6825 24.9383 0.00146315 -0.00127197 0.00028414 36
10596 26 C 46.3256 38.6994 23.843 0.00096716 -0.00251203 0.000549087 36
10597 27 C 46.8472 37.4807 23.3255 0.0032733 -0.00192884 0.000107244 36
10598 28 C 46.4422 36.2762 23.8792 -1.43118e-05 -0.00136649 0.0015355 36
10599 29 C 45.5072 36.2423 24.9365 0.00307643 -0.00103944 -0.00105121 36
10600 30 C 47.6011 37.4755 22.1037 0.000425802 -0.0015835 0.000536812 36
10601 31 C 48.0342 37.4953 20.9802 -0.00219631 -0.00055906 -0.000430794 36
10602 32 C 46.2806 34.2075 18.7292 -0.0034507 -0.00450023 0.00346505 36
10603 33 C 46.4212 34.1952 17.3242 0.000762701 -0.00224179 0.00346675 36
10604 34 C 47.1916 35.194 16.6529 -0.00129441 0.00497411 0.00250422 36
10605 35 C 47.7353 36.2345 17.4231 0.00239262 0.00319457 0.00215899 36
10606 36 C 47.5556 36.249 18.8317 0.00122172 0.00307674 -0.00375225 36
10607 37 C 46.8432 35.219 19.505 -0.00229964 0.00103945 -0.00269691 36
10608 38 C 48.2166 37.4629 19.5288 0.00119919 0.00538822 0.00143351 36
10609 39 C 52.0923 37.6763 19.1637 -0.00176483 0.00088257 0.00160972 36
10610 40 C 52.167 37.6606 17.7615 -0.00181833 0.00194485 0.00421328 36
10611 41 C 50.9862 37.5675 16.9755 -0.000922172 0.00202177 0.000515527 36
10612 42 C 49.7767 37.4916 17.5961 -0.00185747 0.000927647 0.00562419 36
10613 43 C 49.688 37.5282 19.0131 0.000998808 -0.00168318 0.00362367 36
10614 44 C 50.8374 37.6189 19.8058 0.00578409 0.00150842 -0.000466046 36
10615 45 C 46.6039 40.8739 18.7138 -0.00229079 -0.00607719 -0.00249791 36
10616 46 C 46.8258 40.935 17.3419 -0.00195262 0.00428915 -0.000640836 36
10617 47 C 47.3496 39.8052 16.7073 -0.00138071 -0.00388877 -0.000714234 36
10618 48 C 47.7028 38.6692 17.4423 -0.0014156 -0.00227083 0.00477799 36
10619 49 C 48.4566 37.4665 16.882 0.00264569 0.00723318 -0.000627387 36
10620 50 C 47.574 38.652 18.8273 0.00202197 0.000306728 -0.00188097 36
10621 51 C 46.997 39.754 19.4622 0.000332064 0.00280658 -0.000709498 36
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10625 55 C 42.8105 37.2835 31.75 -0.00243224 -0.00169857 0.0015375 36
10626 56 C 43.674 36.0894 31.296 0.00159169 0.00260615 -0.00363973 36
10627 57 C 51.8261 36.5654 14.9604 0.00193975 -0.00154247 0.000748242 36
10628 58 C 51.0049 35.8364 13.9103 -0.00360646 -0.00168161 0.00380699 36
10629 59 C 50.476 36.7173 12.7634 -0.00126685 -0.00146743 -0.00221717 36
10630 60 C 50.4643 35.9777 11.3536 0.000731967 -0.00163773 0.000728321 36
10631 61 C 49.9842 36.8852 10.1684 0.0023286 0.000985676 0.00341428 36
10632 62 C 50.1102 36.1169 8.86668 0.00123909 -0.000143731 0.000766414 36
10633 63 C 49.8134 36.9428 7.60052 0.00107329 0.0015505 -0.0019565 36
10634 64 C 50.0189 36.0941 6.35604 0.00385377 0.00202993 0.00298709 36
10635 65 C 49.8152 36.896 5.04144 0.000133749 0.00263117 -0.00260819 36
10636 66 C 50.0205 36.0076 3.81086 -0.00551622 0.00228757 0.00164394 36
10637 67 C 50.4569 36.6775 2.47694 -0.000930194 -0.000546171 0.00026513 36
10638 68 C 49.4971 37.7405 2.00875 -0.000517343 -0.00132399 0.00107406 36
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10642 72 C 46.1108 34.8431 11.8461 -0.00345203 -4.05695e-05 0.000232945 36
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10644 74 C 45.9593 34.818 9.28601 0.000331293 -0.000716376 -0.00508581 36
10645 75 C 46.6008 35.0992 7.8879 -0.00301195 -0.000405713 0.00336566 36
10646 76 C 45.6996 34.8474 6.68274 -0.00414194 -0.000859336 0.00277448 36
10647 77 C 46.4566 35.1537 5.35536 0.00461378 0.00618882 0.000673288 36
10648 78 C 45.6774 34.7115 4.13823 0.00365 -0.00127419 -0.000510123 36
10649 79 C 46.4213 35.0046 2.83617 -0.00616576 -0.00152492 -0.00103967 36
10650 80 C 45.5251 34.8592 1.5738 0.0041484 -0.00220274 -0.00259662 36
10651 81 C 46.2768 35.1752 0.29357 0.000996622 0.000358886 -0.000103106 36
10652 82 C 48.7967 40.2925 14.8233 0.000722744 0.00143489 -0.00366335 36
10653 83 C 48.7662 40.079 13.3307 -0.00316251 -0.000921587 -0.00152587 36
10654 84 C 49.6809 40.9066 12.4505 0.000437795 -0.000916926 -0.00419511 36
10655 85 C 49.3483 40.6899 10.9572 -0.00122455 -0.00368714 0.00211004 36
10656 86 C 50.1603 41.7178 10.0893 -0.000391108 0.00200237 0.00325318 36
10657 87 C 50.2915 41.5008 8.5727 -0.00369752 -0.000529174 0.000446891 36
10658 88 C 49.287 40.5467 7.89072 -0.00248121 0.00189207 -0.00160688 36
10659 89 C 49.7087 40.2355 6.42829 -0.00408126 0.000255974 -0.0010688 36
10660 90 C 49.5608 41.4094 5.4245 -0.00141814 -3.77591e-05 0.000884414 36
10661 91 C 49.6052 40.9461 3.92519 0.000740895 0.000543584 -0.00143514 36
10662 92 C 49.6962 42.0897 2.95793 -0.00436312 -0.00185651 -0.000229064 36
10663 93 C 49.7607 41.5816 1.51127 0.00219357 0.00312887 -0.0011415 36
10664 94 C 38.555 37.4178 33.0875 0.00119839 0.000512401 -0.0025338 36
10665 95 C 38.4264 37.3975 34.6044 -0.00436028 0.00235465 -0.00109019 36
10666 96 C 37.0186 37.6909 35.194 -0.00557737 0.00157952 0.00190236 36
10667 97 C 37.122 38.0774 36.72 -0.00132022 0.000432386 -0.00227184 36
10668 98 C 37.2875 36.8753 37.6553 0.00103487 0.00240988 -0.00609944 36
10669 99 C 37.7902 37.252 39.097 -0.00100245 -0.00469027 0.0017552 36
10670 100 C 36.9188 38.2835 39.8373 0.00203484 -0.00573832 -0.00313695 36
10671 101 C 36.9978 38.1707 41.3997 0.000863952 -0.00197782 0.00403747 36
10672 102 C 38.433 37.9308 41.9818 -0.00218037 -0.0025786 -0.00175092 36
10673 103 C 38.5736 38.3329 43.4555 0.00520261 -0.00196377 -0.00393766 36
10674 104 C 37.4715 37.6072 44.3224 0.000341833 -0.00311701 0.00663324 36
10675 105 C 37.8465 37.6817 45.806 -0.000511068 0.00636862 -0.000857337 36
10676 106 C 43.5319 40.8486 33.9918 -0.000998833 0.00170582 -0.00370554 36
10677 107 C 44.7504 41.2127 34.8317 -0.00236685 -0.00154174 -0.000351326 36
10678 108 C 44.3392 42.0375 36.0854 -0.00361614 0.000964807 -0.00168564 36
10679 109 C 45.4006 41.9122 37.1966 0.00158914 0.00403015 0.000490559 36
10680 110 C 44.6844 41.9643 38.5674 0.00428102 -0.00146421 0.00133967 36
10681 111 C 45.6698 42.0152 39.7575 0.00491073 -0.00298921 -0.00317352 36
10682 112 C 44.8682 42.1064 41.0539 0.00604318 0.00425172 0.00132297 36
10683 113 C 45.7275 42.2388 42.3541 0.00115733 0.00353193 0.000279663 36
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10685 115 C 45.8384 42.0309 44.905 0.000250761 0.00194715 -0.00273389 36
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10688 118 C 44.3614 33.954 34.3249 -0.00193424 -0.00445514 0.00250493 36
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10692 122 C 44.7015 33.0038 39.0412 0.000748068 -1.66156e-05 0.00241418 36
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10695 125 C 45.0631 32.954 43.0132 0.00256384 -0.00191827 -0.00363522 36
10696 126 C 44.1424 32.4822 44.1539 0.00152226 0.000236375 0.00136644 36
10697 127 C 44.7857 32.2691 45.531 -0.00983336 0.00184622 0.000270371 36
10698 128 C 44.9745 33.6102 46.2742 -0.00174607 0.00252502 -0.0041295 36
10699 129 C 45.7509 33.4419 47.5773 0.00193742 0.00049411 3.53444e-05 36
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12202 122 C 21.1233 0.577643 87.8974 -0.000715988 -0.0001668 0.000252125 41
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12385 3 C 23.4347 13.8449 77.8134 -0.00631204 -0.00174187 0.00313005 42
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12431 49 C 20.023 8.7877 65.1268 0.000402247 0.00177106 0.00594696 42
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12433 51 C 18.9595 11.2156 67.8524 0.00095615 0.000334504 0.003732 42
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12441 59 C 21.2215 7.27047 60.1289 0.00168639 0.000942839 0.000493718 42
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12443 61 C 21.0328 7.05871 57.5179 -0.000463568 0.000861901 0.00115872 42
12444 62 C 20.7794 7.87909 56.2468 -0.000698073 0.0014719 0.000948066 42
12445 63 C 20.7051 7.0887 54.9353 0.00343274 0.00241268 -0.000540181 42
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12450 68 C 20.5079 8.24189 48.641 0.00208483 0.00287663 0.00168641 42
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12455 73 C 17.6848 5.60873 59.1905 -0.000109657 -0.00214467 0.00643588 42
12456 74 C 16.6334 5.72304 58.0822 -0.00157112 -0.00240829 0.00483213 42
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12459 77 C 17.0773 5.79025 54.1393 -0.000357674 0.000513717 0.00373341 42
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12470 88 C 20.5807 12.1626 55.9215 0.000778727 0.00265331 0.000661247 42
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12482 100 C 17.5347 12.3917 90.4933 -0.001827 -0.00154486 0.000304463 42
12483 101 C 16.6991 12.1763 91.7829 0.00351132 0.000758513 0.00486702 42
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12505 123 C 24.5265 7.86801 88.8103 -0.00330144 0.00235745 0.002005 42
12506 124 C 25.4448 7.53425 89.9919 0.00138027 0.00021753 0.00529814 42
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12508 126 C 25.698 7.71583 92.5573 0.000303801 -0.00355046 0.00496788 42
12509 127 C 25.0863 8.19407 93.9011 -0.00296391 -0.000632806 0.000285012 42
12510 128 C 26.0417 7.95944 95.084 -0.000999789 0.00196501 0.00211825 42
12511 129 C 25.4496 8.47761 96.3726 0.00232041 0.00080019 -0.00202384 42
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12615 233 H 16.9698 10.923 85.4047 0.0126346 0.00204994 0.00598489 42
12616 234 H 16.1517 13.6087 86.6095 0.0137061 0.00602196 0.00394661 42
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12625 243 H 16.2908 11.1595 91.8355 0.00862679 -0.00146443 0.00150294 42
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12629 247 H 16.3319 11.075 94.3739 0.00755384 -0.00528969 0.0122825 42
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12688 4 C 26.6638 6.23594 79.5117 0.00302004 -0.0059345 -0.00243439 43
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12691 7 C 22.1084 4.9489 80.64 0.000868754 0.00465357 0.00480138 43
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12712 28 C 24.9386 4.77649 72.6832 0.0015263 -0.00263379 0.00130226 43
12713 29 C 25.1924 5.13733 74.0243 0.00253382 -0.00179709 -0.00372506 43
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12727 43 C 25.5486 2.30563 67.5142 0.00250197 -0.00384525 0.00446157 43
12728 44 C 26.8237 2.46778 68.0411 -0.00423142 0.00521589 0.00107979 43
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12730 46 C 22.0417 5.38097 66.0282 0.00203106 -0.00162631 -0.00111906 43
12731 47 C 22.6814 4.3194 65.4012 -0.000254853 -0.00367814 -0.00316526 43
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12733 49 C 23.9168 1.99774 65.7202 -0.00251911 -0.00258418 -0.00300021 43
12734 50 C 23.3538 3.46267 67.6542 0.00210152 -0.000576389 -0.00323925 43
12735 51 C 22.7163 4.56184 68.253 -0.00354626 -0.00100421 0.000299745 43
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12739 55 C 25.8789 5.17931 81.6066 0.000251897 0.000891206 0.000482162 43
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12741 57 C 25.9801 2.9014 63.1312 -0.00183701 0.00478751 0.000542427 43
12742 58 C 26.3434 2.64207 61.6578 0.00369819 -0.00112482 0.00146109 43
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12988 2 C 31.9008 15.0393 78.4057 -0.00156538 -0.000383688 0.000139365 44
12989 3 C 31.3009 13.9504 77.7774 0.0042308 0.00368712 -0.00328698 44
12990 4 C 30.7253 12.9307 78.5221 0.00315559 -0.000395865 -0.000992178 44
12991 5 C 30.6531 13.0642 79.9542 -0.00259382 -0.00124607 0.00562161 44
12992 6 C 31.2812 14.1422 80.5919 -0.000159242 -0.00133533 -0.000400191 44
12993 7 C 26.0553 11.9986 79.7048 -0.000838493 -0.00466718 -0.000538629 44
12994 8 C 26.1517 11.8705 78.309 -0.00128084 0.00117537 -0.000635891 44
12995 9 C 27.4049 11.7454 77.705 0.00070991 -0.000594433 -0.0010738 44
12996 10 C 28.5758 11.7633 78.5299 -0.00154442 -0.00156545 0.000295371 44
12997 11 C 28.4882 11.9067 79.9344 -0.00125734 -0.00152345 0.00246259 44
12998 12 C 27.2099 11.9906 80.5017 0.000461815 -0.0023094 -0.00235341 44
12999 13 C 31.8085 8.5002 80.2238 0.00158957 -0.00101234 -0.000174155 44
13000 14 C 31.9546 8.48103 78.8535 0.0022184 8.63072e-05 -0.00306759 44
13001 15 C 31.2771 9.43647 78.1167 -0.00273071 -0.00245962 -0.00199628 44
13002 16 C 30.6511 10.5423 78.7208 0.00311916 0.00132635 -0.000930233 44
13003 17 C 30.0061 11.72 77.9728 0.000918691 -0.000650138 0.000648239 44
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13007 21 C 31.1119 9.50081 80.9275 -0.000391606 -0.000343746 0.00272435 44
13008 22 C 30.0478 11.5997 76.5146 -0.000371512 0.00775619 -0.00300622 44
13009 23 C 29.9074 11.3912 75.3415 -0.00421335 0.00260605 -0.00301989 44
13010 24 C 29.6247 10.9504 74.0666 0.00116067 0.00184126 0.00211667 44
13011 25 C 30.366 9.87237 73.5503 -0.000595985 0.00265189 -0.000482332 44
13012 26 C 29.986 9.39445 72.2783 -0.00137578 0.00446814 -0.00302289 44
13013 27 C 28.849 9.91848 71.6313 0.00230516 -0.00607053 0.00192447 44
13014 28 C 28.1147 10.9787 72.1665 -0.00273977 0.000203645 0.000389638 44
13015 29 C 28.4932 11.4536 73.4315 0.00416985 -0.00354151 0.000924591 44
13016 30 C 28.4914 9.47555 70.3261 0.00220481 -0.00167772 0.00208042 44
13017 31 C 28.2737 9.16981 69.1776 -0.00110598 -0.00164783 0.000182533 44
13018 32 C 26.0147 5.62141 67.4217 0.0035648 -0.000908351 0.00299842 44
13019 33 C 25.8969 5.61756 66.0319 0.00353899 -0.000136212 -0.000179766 44
13020 34 C 26.539 6.56712 65.245 0.00218081 -0.00176768 6.12582e-05 44
13021 35 C 27.1866 7.64066 65.8746 0.00184508 0.000390188 0.00318214 44
13022 36 C 27.294 7.72125 67.2679 0.00121051 0.000717159 0.00322135 44
13023 37 C 26.6704 6.68829 68.0584 -6.77436e-06 -0.00159323 0.00057163 44
13024 38 C 28.115 8.94917 67.7377 0.00127881 -0.00135374 0.00164747 44
13025 39 C 31.8851 8.69123 66.668 0.000793759 -0.00116079 0.000684639 44
13026 40 C 31.6931 8.70575 65.2689 0.00100791 0.00161829 -0.00167138 44
13027 41 C 30.4387 8.61957 64.6799 4.71649e-05 -0.00267666 0.00440458 44
13028 42 C 29.3293 8.71592 65.5418 0.00227639 -0.00212518 0.00458661 44
13029 43 C 29.4722 8.7999 66.9468 0.0028176 -0.00258188 -0.00124817 44
13030 44 C 30.7505 8.69008 67.5082 -0.00216285 -0.00152713 -4.75188e-06 44
13031 45 C 26.2723 12.2626 67.0332 -0.00283661 0.00432507 -0.00288654 44
13032 46 C 26.225 12.2 65.6373 0.000640779 -0.000882048 -0.003761 44
13033 47 C 26.769 11.0908 64.9695 -0.00338628 0.00100481 9.41005e-05 44
13034 48 C 27.2966 10.035 65.7268 -0.00431462 -0.00147979 0.000924406 44
13035 49 C 27.8661 8.77935 65.1353 -0.000102708 0.000727047 -0.00320907 44
13036 50 C 27.3904 10.1302 67.104 0.00262467 0.00444596 0.00266986 44
13037 51 C 26.8195 11.1996 67.7756 -0.00466201 -0.000545913 0.00422141 44
13038 52 O 30.2578 8.53195 63.3087 -0.000763467 -0.000111013 -0.00514586 44
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13040 54 O 26.864 11.1495 63.5945 -0.00255633 -0.00238002 -0.000205067 44
13041 55 C 29.8342 11.8947 80.612 -0.00345759 -0.00262746 0.00212556 44
13042 56 C 30.5359 10.5706 80.1263 0.000191107 0.00172962 -0.000557009 44
13043 57 C 29.6978 7.33848 62.7908 -0.000128355 0.00284516 -0.000154252 44
13044 58 C 29.8532 7.34411 61.2563 0.00416537 -0.00599974 0.00151826 44
13045 59 C 28.9469 8.28129 60.4279 0.00111302 0.000723914 -0.00302653 44
13046 60 C 29.1794 7.93851 58.9367 -0.000671618 -0.00164562 -0.00156708 44
13047 61 C 28.4264 8.78751 57.8632 -0.00271293 0.00402849 -0.0024257 44
13048 62 C 28.7178 8.04541 56.5158 0.000341893 -0.000320732 0.000654195 44
13049 63 C 28.2282 8.73566 55.2335 0.00259371 0.00153367 -0.000888059 44
13050 64 C 28.372 7.71831 54.0588 0.000454449 0.000244737 -0.00170887 44
13051 65 C 28.0963 8.31076 52.627 -0.00114168 0.000347268 0.000458098 44
13052 66 C 28.0236 7.22608 51.5635 -0.00370747 -0.000320092 -1.79897e-05 44
13053 67 C 27.7552 7.65588 50.0956 -0.00236827 0.00108113 0.00157367 44
13054 68 C 28.95 8.424 49.5006 -0.00123082 0.00122646 -0.000911683 44
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13057 71 C 25.6732 6.38583 61.6469 -0.00142456 0.00237028 0.000352799 44
13058 72 C 25.0292 7.23927 60.5407 0.00268395 0.000424094 -0.00271476 44
13059 73 C 24.7041 6.49203 59.2221 -0.00287381 0.00156632 -0.00386975 44
13060 74 C 25.9113 6.0422 58.3609 -0.00137356 0.002191 0.0011509 44
13061 75 C 25.4154 5.17489 57.1751 -0.000240989 -0.00375544 -0.00348808 44
13062 76 C 24.937 6.00659 55.9507 -0.00166806 -0.000928831 -0.00487189 44
13063 77 C 24.5865 5.13064 54.7129 0.00246148 -0.00345707 0.0033285 44
13064 78 C 24.5198 5.85651 53.354 0.000842802 0.00425837 -0.000208166 44
13065 79 C 24.511 4.86123 52.1622 0.00266546 -0.00225378 0.00284203 44
13066 80 C 24.4885 5.62169 50.8139 -0.00510616 0.00406955 -0.000577175 44
13067 81 C 24.9032 4.79339 49.6046 -0.00382932 0.00120769 0.00101339 44
13068 82 C 28.1754 11.4529 63.1795 -0.0024763 -0.000664842 0.000947472 44
13069 83 C 28.2333 11.6384 61.6845 -0.00271507 -0.00229319 0.00200608 44
13070 84 C 27.8724 13.0628 61.1748 0.00615517 0.00316043 -0.00383792 44
13071 85 C 28.4867 13.4038 59.8167 0.0013057 -0.000467104 -0.00239493 44
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13074 88 C 27.892 12.6471 56.0189 -0.0017762 0.00279027 0.00330207 44
13075 89 C 28.7477 13.1267 54.8302 -0.00268893 0.00195539 0.00223154 44
13076 90 C 28.1352 13.0412 53.4349 0.000753593 -0.00177563 0.00139557 44
13077 91 C 28.1811 11.6598 52.8011 0.00237715 -0.000737021 0.00143524 44
13078 92 C 27.763 11.6498 51.3027 -0.00349243 0.00410206 0.00217669 44
13079 93 C 28.8679 12.1806 50.3833 -0.000927268 -0.0020688 0.000750977 44
13080 94 C 25.7788 12.2936 82.5147 0.0043888 0.00395505 -0.000407691 44
13081 95 C 25.8452 12.2276 84.0506 -0.00023108 -0.00203876 -0.00307711 44
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13084 98 C 24.9509 12.6774 87.3501 0.00448847 0.000892325 0.00403136 44
13085 99 C 24.5921 11.9954 88.6466 0.00332228 0.0020749 0.00440293 44
13086 100 C 24.7707 12.7368 90.0207 0.00314316 -0.00152188 -0.00230844 44
13087 101 C 26.2317 12.796 90.5913 0.00384558 -0.0021483 -0.00253341 44
13088 102 C 26.3165 12.9902 92.0928 -0.0035138 0.00096105 -0.00207623 44
13089 103 C 25.7979 11.8256 92.9604 0.00138197 -0.000672466 0.00199596 44
13090 104 C 26.2804 11.9061 94.3939 0.00142959 0.00400876 -0.000762363 44
13091 105 C 25.6312 13.0422 95.164 0.0040462 -0.00204202 0.00358089 44
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13093 107 C 32.1018 16.2718 83.0531 0.00224928 0.00145772 -0.0021991 44
13094 108 C 32.5904 16.8142 84.44 0.000547802 -0.00387653 0.00168033 44
13095 109 C 32.2409 15.9859 85.661 -0.00135662 -0.00183094 0.00033106 44
13096 110 C 32.6151 16.5776 87.0344 0.00619826 -0.00392114 -0.00336196 44
13097 111 C 33.9637 16.2132 87.5376 -0.00111278 0.00596495 0.00173459 44
13098 112 C 34.3181 16.8508 88.9011 -0.0058345 -0.00135882 -0.00260507 44
13099 113 C 33.5662 16.2961 90.1216 -0.00451216 0.00506977 0.00261089 44
13100 114 C 34.1657 16.7875 91.4661 -0.00368396 0.000967196 0.00339082 44
13101 115 C 33.3079 16.5244 92.7373 0.000195447 -0.0050564 0.00149216 44
13102 116 C 34.1341 16.8426 94.0309 0.000678746 -0.00156465 0.00190339 44
13103 117 C 33.4118 16.4897 95.3734 -0.00454023 0.0020045 0.00580761 44
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13105 119 C 31.1047 8.29697 84.527 -0.00052809 0.000716419 0.000836065 44
13106 120 C 32.1416 7.62706 85.4842 -0.0045652 0.000451311 0.000971332 44
13107 121 C 31.5026 6.84462 86.6638 -0.000691308 0.00627594 0.00185924 44
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13109 123 C 32.4217 8.07476 88.7222 0.00018769 -0.00270366 0.000926337 44
13110 124 C 31.7787 8.05454 90.1042 -0.00313478 0.000130351 0.00287932 44
13111 125 C 32.655 7.30696 91.1498 0.00173671 -0.00214529 -0.0030512 44
13112 126 C 32.2577 7.7175 92.5553 -0.000311267 -0.000141866 -0.00133696 44
13113 127 C 33.2079 7.14767 93.6087 0.00514407 -0.00290175 -0.000488861 44
13114 128 C 32.8522 7.63203 95.0157 -0.000115971 0.00106069 -0.000219855 44
13115 129 C 33.7763 6.90184 96.0007 0.00136543 -0.000793205 0.00023543 44
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13217 231 H 26.6078 12.9162 84.4349 -0.00627343 0.00185894 0.00193675 44
13218 232 H 24.2803 13.5165 84.7852 0.0142693 6.49846e-05 5.37216e-05 44
13219 233 H 23.6966 11.9987 84.1489 -0.00563573 0.00555476 0.00245807 44
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13224 238 H 23.5438 11.6748 88.6055 0.00259342 0.00557672 -0.00406524 44
13225 239 H 25.2245 11.1016 88.7148 0.00106924 0.000352299 0.00261421 44
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13229 243 H 26.7807 13.5929 90.0746 0.000612185 0.00611135 0.00678779 44
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13232 246 H 24.7033 11.8662 92.9008 0.000332032 -0.0117656 0.0143088 44
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13234 248 H 26.0305 10.995 94.9515 0.00306272 0.004508 0.000789308 44
13235 249 H 27.3716 12.0123 94.4314 0.00294461 -0.0118106 9.68151e-05 44
13236 250 H 26.0916 13.1308 96.1558 -0.00642589 -0.00232587 0.00846019 44
13237 251 H 25.8054 14.023 94.7046 0.00867826 -0.0109018 -0.0134929 44
13238 252 H 24.5566 12.8735 95.3062 0.00269084 0.00568773 0.00249492 44
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13240 254 H 33.3184 14.6185 82.2631 0.00795851 0.00451126 0.00229654 44
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13243 257 H 33.6743 16.9593 84.3531 0.00222693 -0.00636428 0.0187889 44
13244 258 H 32.201 17.8302 84.5797 0.00413813 -0.00172811 -0.00390366 44
13245 259 H 31.1496 15.8747 85.652 -0.000849985 -0.00474319 -0.0253329 44
13246 260 H 32.7252 15.0052 85.5773 0.00835337 0.00282102 0.00196261 44
13247 261 H 32.5295 17.6709 87.0617 -0.00664551 -0.0051147 0.00572486 44
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13249 263 H 34.0326 15.1185 87.5551 0.00381357 0.00631477 0.00402818 44
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13252 266 H 34.1668 17.9366 88.862 -9.48319e-05 0.000125808 0.0161749 44
13253 267 H 32.5124 16.5988 90.086 -0.00627497 -0.00279978 -0.0116546 44
13254 268 H 33.6467 15.2024 90.0924 0.0126055 0.00623247 0.00564861 44
13255 269 H 35.1534 16.3333 91.6126 -0.00450369 -0.00640781 -0.0140675 44
13256 270 H 34.3603 17.867 91.4489 0.000784895 0.000383377 0.0159725 44
13257 271 H 32.4024 17.1436 92.7243 0.00583552 0.00283462 -0.0162872 44
13258 272 H 33.0923 15.4496 92.6968 0.000883401 -0.00505907 -0.00226756 44
13259 273 H 35.0185 16.1949 93.9897 0.0084043 0.00944787 -0.00504668 44
13260 274 H 34.5094 17.8729 94.0609 -0.0197944 0.00618878 -0.00893592 44
13261 275 H 34.0827 16.4906 96.2414 0.00524737 0.00457097 -0.00177488 44
13262 276 H 32.5802 17.1826 95.5517 0.00265477 0.0131201 -0.0039405 44
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13264 278 H 31.4229 7.42039 82.5267 0.00465085 -0.00263763 0.00452952 44
13265 279 H 32.7152 8.52299 83.0502 -8.72165e-05 0.00344177 -0.0155976 44
13266 280 H 30.1551 7.74826 84.5043 0.00814523 -0.0143252 0.00231778 44
13267 281 H 30.8171 9.30471 84.8513 0.0103703 0.00467183 -0.00179365 44
13268 282 H 32.8289 8.41693 85.8115 -0.00182819 0.00481772 -0.0152245 44
13269 283 H 32.723 6.92478 84.8742 0.00785986 0.00636932 0.00601569 44
13270 284 H 31.3669 5.80927 86.3276 -0.0218038 0.0134735 -0.0116646 44
13271 285 H 30.5558 7.30013 86.9791 -0.00135211 0.00755011 -0.00198097 44
13272 286 H 33.4254 6.4927 87.6016 0.00866264 0.00888018 0.00164753 44
13273 287 H 32.0272 5.96183 88.5597 0.000205759 0.010354 0.00743621 44
13274 288 H 31.8837 8.84329 88.1536 0.00144456 -0.00615525 -0.00492452 44
13275 289 H 33.4539 8.43978 88.79 -0.000929171 -0.00120161 0.00977714 44
13276 290 H 30.7335 7.7261 90.0482 0.000963838 -0.00897683 -0.0202716 44
13277 291 H 31.7322 9.12448 90.3419 -0.00898734 2.49862e-05 0.00218613 44
13278 292 H 33.7129 7.56493 91.017 0.00199203 0.00333614 0.00963254 44
13279 293 H 32.5692 6.22162 91.0154 0.0109355 -0.00328172 0.000247619 44
13280 294 H 31.2142 7.42363 92.7231 0.000418639 -0.000775896 0.00207018 44
13281 295 H 32.2997 8.80294 92.7085 0.00371945 -0.000264891 -0.00156612 44
13282 296 H 34.2471 7.42456 93.3924 0.00279129 0.00899205 0.00346821 44
13283 297 H 33.1955 6.0522 93.5521 0.00954884 -0.00310768 0.00246266 44
13284 298 H 31.7779 7.45151 95.1453 -0.00154624 0.00625287 -0.0047223 44
13285 299 H 33.0582 8.70934 95.0346 -0.00110966 0.00140793 -0.00846474 44
13286 300 H 33.6661 5.81268 95.9299 -0.00554326 5.71299e-05 -0.00212038 44
13287 301 H 33.4868 7.25634 96.9976 -0.00286729 -0.00532615 0.000616652 44
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13289 1 C 35.5381 8.38657 79.8139 0.00194673 -0.00382886 -0.0015891 45
13290 2 C 35.6836 8.26684 78.4271 0.000198011 0.00116648 -0.00307869 45
13291 3 C 35.1781 7.16484 77.7284 0.000214364 0.000457175 0.00164532 45
13292 4 C 34.5409 6.16575 78.4563 0.00118002 0.00570578 0.000459183 45
13293 5 C 34.4382 6.21294 79.9027 0.00471401 7.45883e-05 -0.00208039 45
13294 6 C 34.8926 7.40624 80.5947 0.00342451 -0.000546952 0.00296607 45
13295 7 C 29.938 5.17678 79.6572 0.00432049 0.00024751 -0.00183112 45
13296 8 C 29.9838 5.05968 78.27 0.00056472 0.000689911 0.00221471 45
13297 9 C 31.2502 4.95779 77.6826 -0.00465181 -0.000123607 -0.00135231 45
13298 10 C 32.4298 5.01113 78.4396 -0.000644358 -0.000329823 -0.000874818 45
13299 11 C 32.3372 5.06691 79.8631 -0.00351997 0.00115423 0.00300088 45
13300 12 C 31.0764 5.11574 80.4943 -0.00243937 -0.00149273 -0.000337988 45
13301 13 C 35.5209 1.6128 79.9236 0.00164528 0.00355627 0.00299578 45
13302 14 C 35.5626 1.5802 78.5378 5.55695e-05 -0.00683151 -0.00157063 45
13303 15 C 35.071 2.6906 77.8832 0.000487155 -0.00132103 -0.00237002 45
13304 16 C 34.5106 3.75131 78.5835 -0.00150672 0.000878091 -0.00134166 45
13305 17 C 33.8232 4.92415 77.8842 -0.00218219 0.00329778 0.00412068 45
13306 18 O 35.0876 2.66978 82.0627 -0.000521754 0.000615545 0.00128368 45
13307 19 O 30.9326 5.13899 81.8616 -0.000440921 -0.000737876 -0.00122019 45
13308 20 O 34.7429 7.61476 82.001 -0.00165704 -0.00656505 -0.000510265 45
13309 21 C 34.9979 2.66258 80.6718 -0.000444398 0.000227268 -0.00219726 45
13310 22 C 33.8153 4.78295 76.4189 0.00115085 0.00196676 0.000620427 45
13311 23 C 33.6403 4.46076 75.268 0.00343364 0.000685386 -0.00279334 45
13312 24 C 33.3264 4.01132 73.9381 -0.00233489 0.00220919 0.00130235 45
13313 25 C 33.3605 4.87558 72.8406 0.000136579 0.00192242 -0.00302837 45
13314 26 C 33.0767 4.43777 71.5617 -0.000643338 0.000266363 -0.000667121 45
13315 27 C 32.6397 3.08603 71.3774 -0.00505682 0.00273873 -0.00276818 45
13316 28 C 32.6155 2.20021 72.4826 -0.00232575 -0.00215941 -0.00268469 45
13317 29 C 32.9811 2.66489 73.719 -0.00221331 0.00565889 -0.00397733 45
13318 30 C 32.2306 2.63278 70.0693 -0.0034441 0.000395198 -0.00427445 45
13319 31 C 32.0417 2.34007 68.9027 0.00053373 -0.000771468 0.00776596 45
13320 32 C 29.9264 -1.08906 67.0413 0.00279093 -7.40186e-05 0.00020904 45
13321 33 C 29.9903 -1.17751 65.635 -0.00270285 0.00145084 -0.00430593 45
13322 34 C 30.6875 -0.211669 64.8733 0.00350995 0.00293319 0.00240797 45
13323 35 C 31.2604 0.852813 65.5713 0.000728185 0.000116797 -0.00300798 45
13324 36 C 31.25 0.939411 66.9795 -0.00214293 0.000748304 -0.0026792 45
13325 37 C 30.6045 -0.0704382 67.7275 -0.00561933 -0.00107511 -0.0014839 45
13326 38 C 31.9341 2.21378 67.4833 0.00198234 0.000391977 0.00529934 45
13327 39 C 35.7447 2.10771 66.7779 0.00384771 0.00276554 -0.00212568 45
13328 40 C 35.7404 2.04881 65.361 -0.00119409 0.00251812 -0.00110945 45
13329 41 C 34.4964 2.02407 64.7056 0.00140852 -0.00382272 0.00511352 45
13330 42 C 33.3255 2.09054 65.4679 0.000883657 -0.00416796 0.000190036 45
13331 43 C 33.3367 2.18076 66.8531 0.00295199 0.000278656 -0.00228072 45
13332 44 C 34.5548 2.10335 67.5433 -0.00036125 -0.00177093 5.51955e-05 45
13333 45 C 29.777 5.33113 66.6715 0.00359699 0.00355368 0.000558957 45
13334 46 C 29.6434 5.12619 65.3007 0.000520252 -0.00181769 -0.00162511 45
13335 47 C 30.3982 4.14044 64.6231 -0.00190437 0.000686554 0.000961386 45
13336 48 C 31.1713 3.23875 65.3823 0.000465711 0.000702939 0.00129219 45
13337 49 C 31.9215 2.01878 64.8586 -0.000399779 0.000293042 -0.000186284 45
13338 50 C 31.1994 3.3565 66.7831 -0.000496668 0.00438888 0.000794969 45
13339 51 C 30.5589 4.43711 67.4333 -0.00182035 0.00149269 -0.000196998 45
13340 52 O 34.4293 1.98746 63.3755 -0.00192729 0.00244362 0.000784302 45
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13342 54 O 30.3801 4.09033 63.2378 -0.000775766 -0.00137435 -0.00106118 45
13343 55 C 33.7191 4.9962 80.5534 0.00213041 -0.000532858 -0.00608145 45
13344 56 C 34.4181 3.75156 79.9888 0.00542059 0.000217234 -0.00263931 45
13345 57 C 35.003 0.879533 62.6862 -0.00237843 -0.00110784 0.0013634 45
13346 58 C 35.2436 1.34575 61.224 -0.00343629 -0.00231337 -0.00519657 45
13347 59 C 33.9897 1.34063 60.325 -0.00148574 -0.0015549 0.00389912 45
13348 60 C 34.2447 1.81602 58.8775 0.00528358 0.000622882 -0.000562454 45
13349 61 C 33.21 1.28622 57.8619 0.00093017 0.00314076 0.00460297 45
13350 62 C 33.4056 1.92203 56.4733 -0.00234624 -0.00106886 8.82036e-05 45
13351 63 C 32.6495 1.14972 55.3777 -0.00362988 0.0028706 0.000208056 45
13352 64 C 32.6142 1.94833 54.0577 0.00286141 -0.00269114 0.00563904 45
13353 65 C 31.7412 1.14028 53.0516 0.000282792 0.00168818 -0.00317887 45
13354 66 C 31.6131 1.72886 51.619 0.000427117 0.00397697 0.00178554 45
13355 67 C 32.8137 1.44084 50.676 -0.00196052 0.00186202 0.000427938 45
13356 68 C 32.342 1.80204 49.279 -0.00169443 0.000268838 0.00527343 45
13357 69 F 33.0913 5.33497 70.5293 -0.00160614 -0.00624362 -0.00201727 45
13358 70 C 30.9517 -1.63029 62.9733 0.00193929 0.00118667 -0.000746356 45
13359 71 C 31.8786 -1.56915 61.7461 -9.48008e-05 0.000835061 0.000237385 45
13360 72 C 31.1762 -1.51385 60.3572 0.00111461 -0.00258039 4.27048e-05 45
13361 73 C 32.0124 -2.21953 59.2155 -0.000513179 0.00298226 -0.00420247 45
13362 74 C 31.3363 -2.07591 57.7669 -0.000929691 -0.00373868 -0.00175991 45
13363 75 C 32.087 -2.85057 56.6479 0.00201753 -0.00402505 9.46427e-05 45
13364 76 C 31.6756 -2.54583 55.2133 0.00291128 -5.48595e-05 0.00406404 45
13365 77 C 32.4393 -3.43977 54.22 -0.00198495 0.00134241 0.00218474 45
13366 78 C 32.0791 -3.0429 52.7756 0.00159485 0.00411482 0.00150752 45
13367 79 C 33.0201 -3.70224 51.7592 -0.00241652 -0.00172898 -0.00064756 45
13368 80 C 32.8728 -3.23276 50.2983 -0.00209498 0.00255107 0.00124616 45
13369 81 C 31.6202 -3.6836 49.5219 0.00186978 0.000672815 0.00094191 45
13370 82 C 29.5138 3.1445 62.6054 0.0018819 0.00229079 -0.00190846 45
13371 83 C 30.2161 2.37626 61.4174 -0.00835399 -0.00195346 0.0031804 45
13372 84 C 30.398 3.22306 60.1116 -0.00272228 0.00192963 0.00151327 45
13373 85 C 29.0549 3.27973 59.3264 -0.00233796 0.000902823 0.00278022 45
13374 86 C 29.2611 4.05122 57.9853 -0.00360865 0.00153345 -0.00204459 45
13375 87 C 29.8557 3.18497 56.8883 -0.00187661 -0.000958103 0.00102393 45
13376 88 C 28.9267 2.8742 55.7168 0.00287565 0.00348663 0.0030974 45
13377 89 C 28.5146 4.12856 54.8708 -0.00175271 0.00122754 -0.00347241 45
13378 90 C 27.7605 3.82417 53.5696 0.00395827 0.00145636 0.00261779 45
13379 91 C 28.636 3.44501 52.3825 -0.0017436 0.00338308 -0.000927042 45
13380 92 C 27.8545 3.49076 51.0595 -0.00362958 0.00318937 0.00319736 45
13381 93 C 28.7447 3.10145 49.8906 0.00110927 0.00275865 0.00176656 45
13382 94 C 29.6592 5.52706 82.4789 0.000543558 -0.00212896 0.00291644 45
13383 95 C 29.5876 5.07142 83.952 0.00211869 0.000123338 8.27073e-05 45
13384 96 C 28.2728 5.49944 84.6466 0.001597 -0.00180499 0.00264616 45
13385 97 C 27.9721 4.7453 85.9573 -0.00452216 0.00386338 0.000866531 45
13386 98 C 28.5306 5.35968 87.2492 0.00187054 -0.00390181 0.00093159 45
13387 99 C 27.9543 4.89614 88.5997 -0.0023182 -0.00197128 2.64824e-05 45
13388 100 C 28.7029 5.51884 89.8147 0.00136042 -0.000396325 0.000580097 45
13389 101 C 28.2807 4.87271 91.1548 -0.000859599 -0.0048301 0.00128212 45
13390 102 C 29.1251 5.47938 92.299 -0.00125997 -0.00133898 0.00149074 45
13391 103 C 28.7485 4.89088 93.6364 0.0064884 -0.00278185 -0.0016699 45
13392 104 C 29.4891 5.45817 94.8715 -0.00112942 -0.00221618 0.00081158 45
13393 105 C 28.8259 5.06023 96.1992 -0.0016463 -0.00397506 -0.000849047 45
13394 106 C 35.4303 8.67065 82.6451 -0.000881683 0.00143777 -7.00183e-05 45
13395 107 C 35.1154 8.73188 84.1543 -0.00439836 0.000331349 0.00276075 45
13396 108 C 36.319 9.14026 85.0572 0.000765844 0.0031742 -0.00173948 45
13397 109 C 35.9346 9.54294 86.4902 -0.00420954 0.00367157 -0.00109017 45
13398 110 C 36.9491 9.30617 87.5819 8.40567e-06 0.00540894 0.000336753 45
13399 111 C 36.3231 9.56569 88.9494 -0.00306059 -0.00391459 -0.00420493 45
13400 112 C 37.2007 9.32774 90.1645 0.00145098 -0.000698341 -0.000444753 45
13401 113 C 36.4864 9.63896 91.4712 0.00174433 0.00125121 -0.000542892 45
13402 114 C 37.1607 9.32226 92.8026 -0.00111154 0.00109452 0.000673306 45
13403 115 C 36.2547 9.75238 93.9156 -0.000118482 0.00172117 -0.000385494 45
13404 116 C 36.8108 9.56298 95.3282 -0.00266322 0.00135333 0.00280487 45
13405 117 C 35.8707 10.2017 96.37 -0.00384959 0.00392734 0.00314572 45
13406 118 C 35.5851 1.50571 82.7431 -0.00409399 0.00171336 0.00166229 45
13407 119 C 35.9231 1.79633 84.2201 -0.00324508 -0.00128071 0.00267188 45
13408 120 C 36.5613 0.582545 84.96 0.00171431 0.00283711 -0.000128074 45
13409 121 C 37.0954 0.913345 86.392 -0.000863115 -0.000754346 0.00146202 45
13410 122 C 36.1011 0.701455 87.5299 -0.00245663 -0.000720206 -0.00563346 45
13411 123 C 36.8228 0.875952 88.8818 -0.00149138 -0.000257229 0.00147667 45
13412 124 C 35.9337 0.533253 90.0943 -0.00508682 4.23495e-05 -0.00376874 45
13413 125 C 36.636 0.676735 91.4425 -0.000713271 0.000156522 -0.000497461 45
13414 126 C 35.8355 0.300865 92.6872 -0.000966382 -0.000532639 -0.00157662 45
13415 127 C 36.6771 0.460541 94.006 -0.00296035 0.00477892 -0.000774101 45
13416 128 C 35.9551 0.017046 95.2714 -0.00282488 0.00147324 -0.00479537 45
13417 129 C 36.5834 0.729513 96.5052 -5.78679e-06 0.000716101 0.00231948 45
13418 130 F 33.8163 6.14381 73.0682 -0.000222364 -0.00210087 0.00242142 45
13419 131 H 35.9761 9.23859 80.3253 -0.0147747 -0.00558308 0.0157549 45
13420 132 H 36.2666 9.02884 77.9183 0.0101434 -0.00300412 0.00203277 45
13421 133 H 35.3709 7.15694 76.6596 -0.0168152 0.00445173 -0.00142591 45
13422 134 H 28.9369 5.22466 80.0755 0.00681676 -0.0018661 0.00438469 45
13423 135 H 29.0696 5.04605 77.684 0.00536191 -0.0110044 -0.00499434 45
13424 136 H 31.2791 4.94755 76.597 -3.37874e-05 -0.00809363 -0.00114313 45
13425 137 H 35.9507 0.760049 80.4407 -0.0033316 0.00176205 0.00417726 45
13426 138 H 35.9706 0.736597 77.9889 -0.00506561 -0.0148574 0.00695179 45
13427 139 H 35.1096 2.63153 76.7995 0.0054979 -0.000190849 -0.00225349 45
13428 140 H 32.2722 1.17981 72.34 -0.00371483 -0.000951875 -0.008036 45
13429 141 H 32.8376 2.01992 74.5809 -0.0100879 0.00358988 -0.00682452 45
13430 142 H 29.4414 -1.85241 67.6425 0.0161545 -0.000888724 0.00999293 45
13431 143 H 29.4764 -1.99273 65.1343 0.00793717 -0.00454797 -0.00544616 45
13432 144 H 30.6145 -0.0460545 68.8132 0.00465083 -0.00396452 -0.00150788 45
13433 145 H 36.6856 2.16494 67.3172 0.00069201 -0.00590933 0.00429731 45
13434 146 H 36.6693 2.04872 64.7983 0.00679646 0.000936402 0.01207 45
13435 147 H 34.6282 2.16109 68.6253 -0.00820352 -0.0133675 0.00119135 45
13436 148 H 29.2315 6.11307 67.1914 -0.00908723 -0.0107919 0.00885979 45
13437 149 H 28.971 5.75598 64.7257 0.00704805 0.0095165 0.00317272 45
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13497 209 H 28.6994 2.25165 59.1846 -0.000588629 8.1463e-05 0.00432534 45
13498 210 H 28.3352 3.79815 59.9719 0.00429786 -0.00346092 0.013719 45
13499 211 H 28.3041 4.46309 57.6421 0.00945521 0.0209854 -0.0151188 45
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13501 213 H 30.772 3.63674 56.4887 -0.00464902 0.00618805 0.00275807 45
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13503 215 H 29.3747 2.15299 55.0221 -0.0131713 -0.0143682 0.0112786 45
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13507 219 H 26.9503 3.10955 53.7605 -0.00162064 0.00855797 0.00558201 45
13508 220 H 27.3251 4.78564 53.2705 0.0251122 0.010865 0.00193688 45
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13510 222 H 29.05 2.44526 52.5628 -0.000983441 0.00419552 0.00184405 45
13511 223 H 26.9777 2.83213 51.0881 -0.00571519 0.00623528 0.00933 45
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13513 225 H 28.1616 3.20284 48.9669 0.00385037 -0.00594813 -0.000909181 45
13514 226 H 29.5838 3.80623 49.8393 -0.00454084 0.00959021 0.00298552 45
13515 227 H 29.1052 2.06953 49.9832 0.0136754 0.00762805 0.00708671 45
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13517 229 H 28.8188 5.00512 82.0048 -0.00533725 -0.0020074 0.0132065 45
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13520 232 H 28.4001 6.58451 84.7457 -0.00133762 -0.00303449 0.0194421 45
13521 233 H 27.4207 5.32196 83.9789 0.000143152 0.00445514 0.00285042 45
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13523 235 H 28.3058 3.70277 85.8854 0.00823125 0.0075323 0.00709415 45
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13528 240 H 29.7885 5.4525 89.6712 0.00237691 -0.00875085 0.0121445 45
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13530 242 H 27.2179 5.10147 91.3011 0.00131368 0.00595441 0.000216195 45
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13536 248 H 30.5401 5.14443 94.8546 0.00230211 0.0085044 0.0147875 45
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13538 250 H 29.4372 5.33109 97.069 0.00280618 -0.000368269 -0.00510732 45
13539 251 H 27.8634 5.56842 96.3357 0.00151486 -0.000270395 0.00773224 45
13540 252 H 28.6756 3.97363 96.2091 0.0199359 -0.00688456 0.00898588 45
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13542 254 H 35.1777 9.64309 82.2047 0.00156252 0.00411046 0.0044151 45
13543 255 H 34.2838 9.43511 84.2856 -0.0034288 0.00054773 0.00771597 45
13544 256 H 34.7236 7.75438 84.4615 -0.0057341 0.00328482 0.0103811 45
13545 257 H 36.9707 8.26253 85.1485 -0.00303737 0.000895179 0.00347027 45
13546 258 H 36.9275 9.92085 84.5841 0.000821853 0.0134426 0.0153146 45
13547 259 H 35.6129 10.5911 86.526 0.00749177 0.00680078 0.0122873 45
13548 260 H 35.0407 8.96874 86.7637 0.00190722 -0.00442302 0.00188345 45
13549 261 H 37.2646 8.25607 87.5481 -0.00401386 0.0041987 0.0003191 45
13550 262 H 37.8409 9.93308 87.4592 0.00924949 -0.00711724 0.00341165 45
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13553 265 H 37.533 8.28236 90.1775 0.00614737 0.00085228 0.00459259 45
13554 266 H 38.1275 9.90076 90.0376 0.00995191 -0.0133698 0.00426335 45
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13556 268 H 35.5176 9.12478 91.4485 -0.00631402 0.0159651 0.0102706 45
13557 269 H 37.3951 8.25114 92.8368 0.00281871 0.00230202 0.0111577 45
13558 270 H 38.115 9.86327 92.7955 -0.00587805 0.00954235 0.00579273 45
13559 271 H 36.1258 10.837 93.8136 -0.00968402 0.00270668 0.0219691 45
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13575 287 H 35.2965 1.44275 87.4488 -0.0100814 -0.00889281 -0.00459068 45
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13577 289 H 37.6593 0.166847 88.8527 -0.00683351 -0.00644015 -0.0017837 45
13578 290 H 35.5158 -0.475236 89.9861 0.00507635 -0.00574446 0.0110514 45
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13582 294 H 35.5393 -0.746731 92.5522 0.0158351 -0.00392382 -0.0122038 45
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13585 297 H 37.6079 -0.112706 93.9139 -0.00861122 -0.00376407 -0.00471774 45
13586 298 H 35.9681 -1.07208 95.402 0.00591672 0.000797056 -0.0114317 45
13587 299 H 34.8902 0.275179 95.2188 -0.00757192 -0.0141751 0.0140348 45
13588 300 H 36.5957 1.8237 96.4276 0.00138405 -9.98778e-05 -0.00912036 45
13589 301 H 37.6537 0.494947 96.5584 0.000933607 0.0027749 -0.00734048 45
13590 302 H 36.1133 0.35346 97.4222 -0.00364046 0.0060325 0.00262192 45
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13592 2 C 39.8593 14.8674 78.0602 0.00419263 -0.0016509 -0.00119986 46
13593 3 C 39.234 13.7356 77.5042 -0.0031029 -0.00148814 0.000296261 46
13594 4 C 38.5518 12.8303 78.3344 -0.000576206 -0.003241 -0.00266608 46
13595 5 C 38.5539 12.9724 79.747 0.000992214 -0.00311295 0.00141221 46
13596 6 C 39.2243 14.0726 80.3364 -0.000145939 0.000453716 -0.00410277 46
13597 7 C 33.8856 11.746 79.7467 -0.00524049 0.00418303 0.00221196 46
13598 8 C 33.9502 11.739 78.366 -0.00340231 0.00635193 0.000505466 46
13599 9 C 35.1755 11.6698 77.6834 -4.43093e-05 0.00233539 0.00209162 46
13600 10 C 36.3855 11.704 78.427 0.00607783 -0.00351794 0.00198868 46
13601 11 C 36.3606 11.8147 79.8289 0.000334619 -0.000114494 0.00421191 46
13602 12 C 35.0955 11.8513 80.4795 0.00439124 -0.00558935 0.00569508 46
13603 13 C 39.5506 8.35654 80.1213 0.0019366 -0.00366342 0.00155009 46
13604 14 C 39.5697 8.26603 78.713 0.00184571 0.00379233 -0.00388184 46
13605 15 C 39.0084 9.29577 77.973 0.000387402 -0.00150313 0.00491597 46
13606 16 C 38.4791 10.4075 78.5861 -0.000740559 0.00244454 -0.0011759 46
13607 17 C 37.7945 11.5942 77.8341 0.00129987 0.00177299 -0.00400609 46
13608 18 O 38.8821 9.50946 82.1269 -0.000922065 -0.00223729 0.00432929 46
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13610 20 O 39.2468 14.3146 81.6782 -0.00405884 -0.00556494 -0.000393638 46
13611 21 C 38.9418 9.46984 80.7358 0.00144472 0.00208746 0.000281579 46
13612 22 C 37.7661 11.4047 76.3699 0.00165893 0.00655988 0.00069345 46
13613 23 C 37.6162 11.1254 75.2214 -0.0012655 -1.32185e-05 0.000648173 46
13614 24 C 37.3407 10.6206 73.9123 0.00117257 1.68416e-05 0.00123445 46
13615 25 C 36.9807 9.28264 73.7269 -2.95038e-05 -5.15952e-05 -0.000898398 46
13616 26 C 36.5913 8.81426 72.4599 -0.000399874 -0.00514303 -0.00534942 46
13617 27 C 36.6684 9.66149 71.3303 0.00300689 0.000669841 -2.09013e-05 46
13618 28 C 37.12 11.0218 71.5443 0.00576359 -0.000895336 0.00231406 46
13619 29 C 37.4495 11.487 72.7972 0.00224129 0.00252362 0.00252798 46
13620 30 C 36.3364 9.28562 70.036 0.000187744 -0.00452206 0.00134731 46
13621 31 C 36.0739 9.08593 68.8775 -0.00426787 0.0016133 -0.00240367 46
13622 32 C 34.0008 5.62832 66.9144 0.00125446 -0.00215547 0.00129051 46
13623 33 C 34.0066 5.58679 65.5117 -0.00254993 0.000289393 -0.00129046 46
13624 34 C 34.5379 6.65085 64.7701 -0.0039336 -0.000752083 0.00319415 46
13625 35 C 35.0756 7.75503 65.4472 0.00375605 0.00200969 0.00140244 46
13626 36 C 35.0825 7.79056 66.8651 0.000479776 0.00343272 0.000521401 46
13627 37 C 34.609 6.70178 67.5879 0.0016301 0.000926009 -0.00053866 46
13628 38 C 35.8825 8.99762 67.4066 -0.000795094 -0.00228953 0.00104645 46
13629 39 C 39.6719 9.03207 66.4167 9.37722e-05 -0.00292967 -0.00483609 46
13630 40 C 39.5647 9.0394 65.0481 0.001503 -0.00150438 0.00135345 46
13631 41 C 38.2892 8.94946 64.443 0.000879 4.69542e-05 0.00177206 46
13632 42 C 37.1387 8.92248 65.2447 -0.0011274 0.000753594 0.00304944 46
13633 43 C 37.2467 8.8957 66.6506 -0.000604864 -0.0030529 -0.000769499 46
13634 44 C 38.5387 8.99831 67.2126 0.000474093 0.000877761 0.0022328 46
13635 45 C 34.3613 12.4747 66.733 0.00490414 0.000462863 -0.00147159 46
13636 46 C 34.3317 12.4561 65.3324 0.000466333 0.000945163 -0.00214713 46
13637 47 C 34.7621 11.3197 64.6249 0.000844972 -0.000419597 -0.00444495 46
13638 48 C 35.1723 10.2026 65.3544 0.00420166 0.00078585 -0.00267159 46
13639 49 C 35.7136 8.94162 64.7547 0.0035347 -0.00239679 0.000349225 46
13640 50 C 35.2284 10.2193 66.7805 -0.000217862 -0.00236963 -0.00385312 46
13641 51 C 34.8354 11.3968 67.4765 -0.00334424 0.00260116 0.000477795 46
13642 52 O 38.1515 9.14611 63.0851 -0.00214524 -0.00260988 -9.54154e-05 46
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13644 54 O 34.7689 11.338 63.248 -0.000656217 0.000675241 -0.00104098 46
13645 55 C 37.7615 11.8467 80.481 0.00259294 0.00687961 -0.000656889 46
13646 56 C 38.4208 10.5279 79.9865 -0.00146908 -0.00141776 -0.00682953 46
13647 57 C 37.7551 8.08383 62.2224 -0.00146404 -0.00129056 0.000694884 46
13648 58 C 36.9271 8.75832 61.0882 0.00213074 0.00549239 0.00152235 46
13649 59 C 36.6715 7.77685 59.9511 -0.00493635 -0.0024625 0.00356557 46
13650 60 C 35.696 8.30696 58.9369 -0.00185062 -0.00115215 -0.0024208 46
13651 61 C 36.3347 9.31461 57.9426 -0.00356939 -0.00267822 -0.00371084 46
13652 62 C 37.2822 8.55256 56.9463 -0.00275103 0.00380611 -0.00228234 46
13653 63 C 37.1552 9.17926 55.5248 0.00464278 0.00541768 -0.000312527 46
13654 64 C 35.7792 8.99158 54.8313 0.00168622 -0.00219501 0.00163704 46
13655 65 C 35.8117 8.24892 53.5085 -0.00205862 0.00219882 0.00485626 46
13656 66 C 36.2189 9.08503 52.3218 0.0023427 0.00134468 0.000569802 46
13657 67 C 36.2167 8.25819 51.0093 0.00392876 0.00029102 -0.00064751 46
13658 68 C 36.4388 9.08895 49.7269 0.00237638 -0.00245535 -0.00539497 46
13659 69 F 36.2373 7.51658 72.3405 -0.000259911 0.000893386 -0.00608494 46
13660 70 C 33.2301 6.64621 62.7128 0.00153057 0.00665718 0.000229015 46
13661 71 C 33.0041 5.30663 61.935 0.000411137 0.00236351 0.000579722 46
13662 72 C 33.6356 5.22066 60.5446 0.00225891 -0.00024246 -0.000994637 46
13663 73 C 32.9707 6.21205 59.5217 -0.000273448 -0.00126263 -0.00365017 46
13664 74 C 33.1938 5.7965 58.05 0.00367572 0.00152642 0.00420234 46
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13895 3 C 43.0634 7.06502 77.8015 -0.00105207 -0.00178339 4.78047e-06 47
13896 4 C 42.424 6.06991 78.55 0.00695665 -0.00461531 0.00383245 47
13897 5 C 42.3553 6.10288 79.966 -0.000585951 -0.00238141 -0.00280207 47
13898 6 C 42.9489 7.22159 80.6359 0.00334736 0.000475454 -0.000895897 47
13899 7 C 37.8479 5.03084 79.5801 0.00194995 0.00382364 -0.00375727 47
13900 8 C 37.9537 4.93908 78.1926 0.000481352 0.00058641 0.000674874 47
13901 9 C 39.2249 4.80223 77.6188 0.000841906 -0.000108117 0.00439638 47
13902 10 C 40.361 4.81573 78.4468 0.00162897 -0.0034378 0.00375361 47
13903 11 C 40.2393 4.89338 79.8528 0.00368605 0.00301556 0.000407922 47
13904 12 C 38.9701 5.04618 80.4458 -0.00330892 -0.00256612 0.00289433 47
13905 13 C 43.628 1.50343 79.9689 -0.00303021 -0.000399191 0.00109863 47
13906 14 C 43.7377 1.60546 78.5919 0.00120113 3.07394e-05 -0.0030588 47
13907 15 C 43.1381 2.62587 77.8914 -0.000229095 0.00209118 -0.00467685 47
13908 16 C 42.4771 3.64426 78.5942 -0.00267858 -0.000802895 0.0016819 47
13909 17 C 41.8103 4.83285 77.9195 0.00324326 0.00289927 0.00260719 47
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13914 22 C 41.8638 4.73942 76.4922 0.00307473 0.00414923 0.00084226 47
13915 23 C 41.8276 4.52863 75.2865 0.00771105 -0.00271599 0.000560193 47
13916 24 C 41.5925 4.16813 73.932 0.00111816 0.0029656 0.00516691 47
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13919 27 C 40.6797 3.28455 71.4484 0.000106538 -0.000804056 -0.00252204 47
13920 28 C 40.191 4.48014 71.9762 -0.00384182 0.000347764 -0.0030258 47
13921 29 C 40.6831 4.94594 73.2026 0.00166176 -0.00236124 -0.000478392 47
13922 30 C 40.1864 2.92293 70.1639 0.000333737 0.00169572 0.000273094 47
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13925 33 C 37.8999 -1.23229 66.0316 0.00390782 -0.000320283 -0.00261745 47
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13930 38 C 39.6476 2.3896 67.599 -0.00452286 -0.00613931 0.00229613 47
13931 39 C 43.4186 2.38889 66.7195 -0.00729105 -0.00195722 0.00307558 47
13932 40 C 43.3318 2.40973 65.307 -0.00187269 -0.00183296 0.00370872 47
13933 41 C 42.0992 2.36586 64.6684 -0.0022462 -0.00137832 -0.000559959 47
13934 42 C 40.9642 2.21844 65.4781 -0.0035631 -0.000649694 -0.00218507 47
13935 43 C 41.0447 2.26768 66.8671 0.000822862 0.000181855 -0.00357531 47
13936 44 C 42.2781 2.30757 67.497 -0.000577145 -0.00241548 0.000754499 47
13937 45 C 37.6885 5.58232 66.6533 -0.000726302 0.00230118 -0.00211137 47
13938 46 C 37.7053 5.47652 65.2389 0.00405575 -0.00105804 0.000590598 47
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13942 50 C 38.8736 3.50842 66.9001 -0.0003752 0.000972877 0.00461027 47
13943 51 C 38.3059 4.63657 67.4828 -0.000106401 -0.00235134 -0.00193162 47
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14019 127 C 43.8549 0.364307 93.523 0.00101673 0.000365652 0.00147732 47
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14305 111 C 47.7353 16.4403 87.7957 -0.00486534 0.00266292 0.00324515 48
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14317 123 C 48.0697 6.30532 88.4232 0.00315285 -0.000398871 -0.00182241 48
14318 124 C 48.4009 7.56958 89.187 0.0033997 -0.00485063 0.00151216 48
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14320 126 C 47.7619 6.60678 91.5074 0.00344146 0.00271096 -0.00137832 48
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14322 128 C 48.5484 7.25924 93.9619 0.00256532 0.00273217 0.000618899 48
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14512 16 C 3.11002 17.1469 78.6779 0.00159112 -0.0018524 0.000409612 49
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14521 25 C 2.68342 16.1449 73.4289 -0.00117144 0.000553775 -0.0047998 49
14522 26 C 2.38916 15.8044 72.0915 -0.000515838 -0.000572007 -0.000143413 49
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14525 29 C 2.06829 18.4519 72.9432 -0.00135186 0.000991232 0.000801141 49
14526 30 C 1.44658 16.4021 69.8902 0.00177756 -0.00369088 -0.00477781 49
14527 31 C 1.13959 16.1501 68.7294 0.00106815 -0.00575299 0.00347239 49
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14530 34 C -0.657903 13.1167 65.1687 0.0016434 -0.000720592 0.00411023 49
14531 35 C -0.147279 14.3471 65.6207 -0.00575618 -0.00126339 -0.000126699 49
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14538 42 C 1.66438 15.849 65.025 -0.00544233 -0.00183803 0.00151473 49
14539 43 C 1.97384 15.9902 66.3787 0.000422567 -0.00548377 -0.00168641 49
14540 44 C 3.30785 16.0594 66.7923 -0.00395109 -0.00490939 -0.000616538 49
14541 45 C -1.8099 18.7826 66.7189 0.000633043 -0.00387454 0.00130429 49
14542 46 C -1.86599 18.74 65.2974 0.00166795 0.00182467 0.00161162 49
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14544 48 C -0.521082 16.7225 65.3278 -0.00417332 -0.00292138 0.00173554 49
14545 49 C 0.192065 15.5426 64.7213 -0.0030517 -0.00272096 -0.000658587 49
14546 50 C -0.311831 16.864 66.7148 0.00578994 0.00117082 0.00172435 49
14547 51 C -1.00692 17.8552 67.406 -0.00314006 -0.000323698 0.00319952 49
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14552 56 C 3.048 17.2318 80.0961 0.00175349 -0.00133134 0.00191621 49
14553 57 C 3.0874 14.7334 61.9812 0.00317293 -0.000396973 0.00057759 49
14554 58 C 2.97377 14.997 60.466 0.00439506 0.00408024 0.00315075 49
14555 59 C 1.60748 14.7306 59.8085 0.000651932 0.0040439 0.00192969 49
14556 60 C 1.54306 13.8618 58.5485 -0.00192103 -0.000373541 -0.002564 49
14557 61 C 1.83696 14.7201 57.3003 -0.00042483 0.00392901 -0.000405675 49
14558 62 C 1.86694 13.8162 56.0386 -0.00201243 0.00067575 0.00507144 49
14559 63 C 1.73013 14.6024 54.7379 -0.000169224 -0.00268988 0.00476586 49
14560 64 C 1.72086 13.6749 53.477 -0.00148197 -0.000559901 0.00250487 49
14561 65 C 1.68182 14.4286 52.1489 -0.00696525 -0.00179517 -0.00133469 49
14562 66 C 1.74952 13.4289 50.9778 0.00216579 -0.00207756 0.000749992 49
14563 67 C 2.01619 14.106 49.5721 -0.000737459 -0.00303609 -0.00111596 49
14564 68 C 0.785941 14.8673 49.0219 -0.00320296 -0.00328246 -0.00487197 49
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14567 71 C 0.405534 11.3905 62.2909 0.000925031 0.000113624 0.00136523 49
14568 72 C 1.1403 11.398 60.9183 0.000747283 -0.00233077 -0.00530422 49
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15211 111 C 12.5186 24.0353 87.7007 0.000384577 0.000774615 0.00572381 51
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15214 114 C 13.3237 22.8167 91.3619 -0.00558375 -0.00147671 -0.00205457 51
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15219 119 C 12.5279 15.2703 84.3476 -0.00424742 -0.000154289 -0.00219236 51
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15225 125 C 13.7141 14.7937 90.9738 0.000733842 0.00181702 0.00347459 51
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15229 129 C 14.0992 15.2496 95.5454 -0.00436424 -0.000515807 0.00091478 51
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15248 148 H 5.66719 19.6344 66.8447 0.00339751 -0.00179344 0.00763246 51
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15252 152 H 10.1457 18.7149 81.4423 -0.00041229 -0.0107588 -0.000711993 51
15253 153 H 11.5116 14.1295 62.2152 0.0155893 0.0188768 0.0109585 51
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15255 155 H 11.3799 15.6777 60.2605 -0.00805377 0.0124665 -0.00344895 51
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15259 159 H 10.5977 15.1655 58.0209 -0.000178531 -0.00442502 0.000900377 51
15260 160 H 9.32557 16.2783 58.5053 0.0150006 0.00294556 0.0140401 51
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15262 162 H 8.91112 13.4444 57.3319 -0.00671863 -0.00416183 0.00774661 51
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15264 164 H 7.52095 15.2314 55.7897 -0.0018305 -0.00875783 3.61103e-06 51
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15268 168 H 7.90014 14.8431 53.3814 -0.00392546 0.0103822 0.016808 51
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15270 170 H 10.7087 13.929 52.886 -0.00651658 -0.0110289 0.013129 51
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15280 180 H 9.86898 11.9724 62.1604 0.00223621 0.00133944 -0.0030161 51
15281 181 H 9.6813 10.2232 62.3435 0.000290341 -0.000623729 0.00272039 51
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15284 184 H 10.4396 11.1622 59.6232 0.0017692 0.00568689 0.00741242 51
15285 185 H 10.2908 9.53719 60.4071 -0.0149883 -0.00310734 0.00368159 51
15286 186 H 9.71098 8.64306 58.5401 -0.000493978 -0.00561304 -0.00503232 51
15287 187 H 8.24553 9.58919 58.5391 0.00299099 -0.00650194 0.00885314 51
15288 188 H 9.34679 11.3939 57.1626 -0.00312096 -0.00252503 -0.011504 51
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15290 190 H 9.85038 8.63863 55.9644 0.00304376 -0.00125337 0.00380474 51
15291 191 H 8.23873 9.41393 56.1267 0.00161252 0.00477155 0.00963092 51
15292 192 H 8.86815 11.2631 54.6484 -0.0114329 -0.00725219 0.0123301 51
15293 193 H 10.5452 10.6781 54.5355 0.00227252 -0.0149825 0.00727229 51
15294 194 H 9.78689 8.57216 53.4055 -0.0108884 -0.00912389 0.00131637 51
15295 195 H 8.11908 9.06138 53.6035 -0.0012276 0.00161808 -0.0018041 51
15296 196 H 8.43491 11.0598 52.2536 -0.00470799 -0.00294443 0.0119396 51
15297 197 H 10.1426 10.7342 52.0755 -0.00206143 0.00461225 -0.00417571 51
15298 198 H 9.74798 8.68101 50.8698 0.00660924 0.00254459 0.00569037 51
15299 199 H 8.06074 8.72686 51.1139 0.00146094 -0.00141187 0.0138879 51
15300 200 H 9.3364 11.0462 49.5873 -0.00256163 -0.00172269 -0.0151271 51
15301 201 H 8.45998 9.68388 48.8105 -0.0031427 -0.000901016 0.0004491 51
15302 202 H 7.62786 10.717 49.9581 3.47185e-05 0.00411753 0.0111602 51
15303 203 H 7.87227 16.5718 61.6661 -0.00410813 -0.00426732 -0.00497608 51
15304 204 H 6.62098 15.7254 62.5666 -0.00466636 -0.00586694 -0.0117703 51
15305 205 H 5.4843 15.756 60.7492 0.0153218 -0.00781594 0.0118083 51
15306 206 H 4.97379 17.3968 61.2211 0.00566858 0.00182559 0.0063593 51
15307 207 H 6.50403 18.3233 59.5636 0.0121554 -0.000636333 0.010558 51
15308 208 H 7.38331 16.7536 59.3689 0.0045347 0.0056833 0.0022906 51
15309 209 H 5.35284 15.7333 58.4578 -0.00473442 0.000333423 0.00063712 51
15310 210 H 4.46946 17.2604 58.5211 -0.00915311 -0.0177795 -0.00291608 51
15311 211 H 5.92559 18.4184 57.0583 0.00919179 0.000695211 0.00318842 51
15312 212 H 7.02033 17.0511 57.0145 0.000579491 -0.00529953 0.00406654 51
15313 213 H 5.22944 15.6374 55.9835 0.00885184 -0.00256372 0.00216339 51
15314 214 H 4.08365 16.9205 56.1121 9.09556e-05 -0.0080575 0.00634469 51
15315 215 H 5.56397 18.3544 54.6217 0.00266292 0.00395135 -0.00540982 51
15316 216 H 6.72011 17.0543 54.4729 -0.00980963 0.00629966 -0.0135718 51
15317 217 H 4.99127 15.4987 53.5005 0.00380747 0.00271666 -0.00246885 51
15318 218 H 3.8558 16.8457 53.5049 0.00326843 0.00646012 -0.00915439 51
15319 219 H 5.51552 18.1394 52.0488 -0.00605984 0.000333578 -0.0107397 51
15320 220 H 6.48051 16.648 52.0543 0.00447534 0.0121662 -0.0109408 51
15321 221 H 4.70319 15.3327 51.0136 0.0013803 -0.00239497 0.0078848 51
15322 222 H 3.66002 16.7021 50.9923 0.00367445 -0.00460399 0.0225787 51
15323 223 H 4.67948 16.1964 48.833 0.0100247 -0.0130353 0.00182851 51
15324 224 H 5.12801 17.8587 49.3683 0.00267239 0.00161461 0.00841785 51
15325 225 H 7.36687 16.8675 50.093 -0.00532214 0.00442275 0.00120905 51
15326 226 H 6.71178 15.2829 49.5108 -0.00495915 -0.00227721 -0.00841282 51
15327 227 H 7.04235 16.6694 48.3846 -0.00263423 -0.00120059 -0.00133042 51
15328 228 H 5.54323 19.933 81.9082 -0.00679429 -0.00427079 0.00760164 51
15329 229 H 5.31202 18.1596 81.718 0.00969568 0.00104908 -0.0172932 51
15330 230 H 6.40943 17.7498 83.8741 0.00867415 0.00258889 -0.0063368 51
15331 231 H 6.90869 19.4133 83.9956 0.00165006 -0.00979069 0.0173302 51
15332 232 H 4.23146 19.8828 83.8631 -0.00382873 -0.0119986 -0.00988062 51
15333 233 H 4.05747 18.1942 84.2196 -0.00307815 -0.00611201 0.00689194 51
15334 234 H 5.53618 20.1629 85.9302 0.00540722 -0.00683084 0.0155937 51
15335 235 H 3.87699 19.6087 86.2063 0.000156126 -0.0031404 -0.00235526 51
15336 236 H 4.45312 17.3549 86.6248 -0.00169715 -0.0027147 -0.00630082 51
15337 237 H 6.11975 17.5868 86.1764 0.00426947 0.00766703 -0.00240332 51
15338 238 H 5.66294 17.2921 88.568 -0.015786 0.00287803 0.00555576 51
15339 239 H 6.59898 18.7653 88.2747 0.000175587 -1.60028e-05 0.0115399 51
15340 240 H 4.59316 20.1625 88.4239 -0.00052292 0.00444801 0.010082 51
15341 241 H 3.66219 18.8284 89.0796 -0.0010337 -0.00533898 -0.00912848 51
15342 242 H 6.33512 19.7647 90.2045 -0.000116154 0.00184235 0.00111249 51
15343 243 H 4.80147 20.5721 90.498 0.0158572 0.00751762 -0.00100167 51
15344 244 H 3.85052 18.4002 91.4931 -0.00200569 0.00200522 0.00440802 51
15345 245 H 5.44145 17.6457 91.2543 0.00855618 0.00315752 0.006434 51
15346 246 H 6.53545 19.2956 92.6671 -0.00110061 0.00637876 0.0223919 51
15347 247 H 5.05555 20.1926 92.9275 -0.000664948 0.000549891 -0.00846348 51
15348 248 H 3.97215 18.1342 93.9971 0.00208878 -0.00224371 0.0041126 51
15349 249 H 5.56256 17.3457 93.7339 -0.00107698 0.00176743 0.00429695 51
15350 250 H 4.81028 19.7496 95.5264 0.00377878 -0.000462749 0.00213546 51
15351 251 H 5.07446 18.0416 96.0089 -0.00547102 -0.0103532 -0.0107483 51
15352 252 H 6.45469 19.0427 95.4568 -0.00294774 0.0195903 -0.0109732 51
15353 253 H 10.8888 23.0057 81.8324 0.00281571 0.00260628 0.000241327 51
15354 254 H 10.8301 22.0911 83.3239 -0.00501655 0.00450388 -0.00565439 51
15355 255 H 13.3673 21.591 82.8332 0.00496857 0.00372759 -0.023924 51
15356 256 H 13.2541 23.0035 81.8338 -0.0072153 0.00477479 -0.00433118 51
15357 257 H 14.1748 23.6567 83.9613 0.000535485 -0.00425349 0.00794677 51
15358 258 H 12.6604 24.4551 83.7129 -0.00621598 -0.000755039 0.00131139 51
15359 259 H 11.5627 22.9216 85.355 -0.000390852 -0.0157384 0.0067607 51
15360 260 H 12.9818 21.9501 85.4975 -0.0123368 -0.00729112 -0.0204592 51
15361 261 H 14.3284 23.6361 86.5726 -0.000146948 -0.00921818 -0.0184269 51
15362 262 H 13.3356 24.9337 85.9697 0.0210484 0.00206201 0.000345469 51
15363 263 H 12.7247 25.0117 88.1564 0.00943331 0.000290082 0.00268251 51
15364 264 H 11.4427 24.0078 87.4883 0.00293154 0.00244367 -0.00738749 51
15365 265 H 11.9284 22.491 89.077 -0.00136529 -0.00521479 -0.00299751 51
15366 266 H 13.4505 22.152 88.4075 -0.00537395 -0.00157473 -0.0046211 51
15367 267 H 14.4833 23.9385 89.917 0.00298665 -0.0160807 -0.00493234 51
15368 268 H 12.8514 24.5739 90.2363 -0.000964521 0.000554281 -0.00100262 51
15369 269 H 12.2572 22.5682 91.4264 -0.0020751 -0.0164256 -0.00193386 51
15370 270 H 13.8782 21.8785 91.237 -0.0133543 -0.00660317 0.00196439 51
15371 271 H 14.8224 23.6198 92.7319 0.00334112 -0.00597659 -0.014754 51
15372 272 H 13.3826 24.6552 92.5295 -0.0102443 -0.0011778 0.0020588 51
15373 273 H 12.0542 22.9749 93.7056 -0.00239838 -0.00307536 0.0112298 51
15374 274 H 13.4949 22.0153 94.055 -0.00569358 -0.00298361 0.00905835 51
15375 275 H 13.288 24.9254 94.9994 0.000502277 -0.00161615 -0.0093938 51
15376 276 H 12.6879 23.6154 95.95 -0.00141064 -0.00859741 -0.00693952 51
15377 277 H 14.4363 23.7207 95.5592 0.00376608 -0.00595667 -0.00725862 51
15378 278 H 11.3277 14.3696 82.7356 -0.00467648 0.00210878 0.0110223 51
15379 279 H 13.0064 14.6162 82.4287 0.00349831 0.0158151 -0.000331998 51
15380 280 H 11.6429 15.5839 84.915 -0.000777489 -0.00987662 0.00855662 51
15381 281 H 13.2793 16.0559 84.4947 -0.00428999 -2.44078e-05 -0.0026735 51
15382 282 H 14.0447 13.7691 84.4414 -0.00489516 -0.00994838 0.00508229 51
15383 283 H 12.4384 13.1239 84.8318 -0.0155561 0.00414385 0.0143892 51
15384 284 H 14.202 14.8014 86.6126 0.00248865 -0.000165502 -0.0132507 51
15385 285 H 13.7738 13.116 86.8624 -0.0136981 0.00105138 0.00355019 51
15386 286 H 11.3516 13.7961 87.0565 0.00884237 -0.00823533 0.00596701 51
15387 287 H 11.9269 15.5046 87.2241 -0.00611496 0.000532793 -0.00243652 51
15388 288 H 12.6844 13.1323 88.9712 -0.00142985 -0.00143383 0.0140439 51
15389 289 H 11.4345 14.296 89.4104 0.00391246 0.00556599 0.00146614 51
15390 290 H 13.0861 16.1644 89.4583 -0.00788856 -0.00100174 0.00125916 51
15391 291 H 14.3627 15.004 88.956 -0.00220738 0.0124555 -0.00144188 51
15392 292 H 14.6005 15.3589 91.2873 -0.000681968 -0.00046713 0.0115981 51
15393 293 H 13.8939 13.7161 91.073 -0.00369693 5.40923e-05 -0.0075514 51
15394 294 H 11.6086 14.832 91.5623 -0.00487161 0.00904921 -0.00928253 51
15395 295 H 12.4601 16.3076 91.8021 0.0140607 0.00106238 -0.00664861 51
15396 296 H 12.7556 13.7288 93.4596 0.0126257 -0.000859429 0.00495851 51
15397 297 H 11.9187 15.2176 93.9258 -0.00179489 0.00664987 -0.00335788 51
15398 298 H 14.2816 16.3488 93.6591 0.0019031 0.00740783 0.00143334 51
15399 299 H 14.9514 14.7735 93.5736 -0.00665809 -0.00916069 0.000604778 51
15400 300 H 13.7246 14.2705 95.8686 -0.00360604 -0.000302488 0.00243232 51
15401 301 H 13.4461 15.991 96.0222 0.00961475 0.012539 -0.000234984 51
15402 302 H 15.1128 15.4685 95.9031 -0.000562537 -0.0117246 -0.00304589 51
15403 1 C 16.1833 28.6417 79.7587 0.00150733 0.00117609 0.00281513 52
15404 2 C 16.3088 28.5237 78.3689 0.0001924 -0.000556273 0.00269313 52
15405 3 C 15.6976 27.4282 77.7135 -0.000643212 0.000432019 -0.00250699 52
15406 4 C 15.0427 26.4718 78.5013 -0.0014749 0.00218934 0.00346519 52
15407 5 C 14.9901 26.5319 79.9159 0.00136461 0.00238864 0.00119384 52
15408 6 C 15.5566 27.6548 80.5727 8.16871e-05 0.00514423 0.00379134 52
15409 7 C 10.5081 25.3934 79.7399 0.00115092 0.00456582 0.000667199 52
15410 8 C 10.556 25.1809 78.3799 0.000288945 -0.00248516 0.000745805 52
15411 9 C 11.7932 25.1287 77.7638 0.000542673 0.00336344 0.00190152 52
15412 10 C 12.9673 25.1976 78.4981 -0.00237017 -0.00067805 0.00350408 52
15413 11 C 12.9276 25.2084 79.9204 0.000521739 0.00227494 -0.00253768 52
15414 12 C 11.6724 25.3194 80.5709 0.00542492 0.000746544 0.00198669 52
15415 13 C 16.394 22.0641 79.9789 -0.00100155 -0.00740472 -0.00165018 52
15416 14 C 16.3515 22.0314 78.5732 -0.00363939 0.00361012 -0.00488368 52
15417 15 C 15.6998 23.0334 77.8514 0.00321898 0.00347215 -0.00224356 52
15418 16 C 15.0804 24.045 78.5627 -0.00166657 -0.00290441 -0.00074038 52
15419 17 C 14.3761 25.2425 77.9244 -0.000945388 0.000549614 -0.00102855 52
15420 18 O 15.7194 22.9239 82.0934 0.00243772 0.000306019 0.00358896 52
15421 19 O 11.4849 25.4134 81.9089 0.00441322 -0.000533858 -0.000282639 52
15422 20 O 15.6195 27.8045 81.9439 0.00103737 0.004389 0.000204396 52
15423 21 C 15.7324 23.0189 80.7227 0.000584546 0.000350928 -0.00111614 52
15424 22 C 14.3456 25.1665 76.4626 -0.00644166 0.00268976 0.000194427 52
15425 23 C 14.1803 24.9624 75.2729 -0.00270867 0.00427083 0.000862785 52
15426 24 C 13.9104 24.5147 73.9136 0.0029654 -0.000301296 -0.00264657 52
15427 25 C 13.5372 25.4277 72.9402 0.00306104 -0.0027715 -0.000858191 52
15428 26 C 13.1544 24.9463 71.7021 -0.000627651 -0.0010832 0.00395991 52
15429 27 C 13.1471 23.5618 71.4034 -0.00272039 0.00530265 0.000230094 52
15430 28 C 13.5795 22.6518 72.3629 -0.00088683 0.00236765 0.00198954 52
15431 29 C 13.9649 23.1102 73.6352 -0.00265585 0.00126943 -0.00115546 52
15432 30 C 12.7731 23.1152 70.0982 0.00342835 -0.00183485 -0.00242788 52
15433 31 C 12.4615 22.8485 68.9678 -7.30505e-05 0.000807995 -0.00130023 52
15434 32 C 10.3301 19.2484 67.3813 0.001213 0.000485583 0.00036499 52
15435 33 C 10.2472 19.1039 65.9566 -0.00239862 0.00380513 0.0026716 52
15436 34 C 10.775 20.0744 65.1254 0.000614427 0.000693364 0.00289872 52
15437 35 C 11.3348 21.2219 65.6996 -0.00342807 -0.00159341 0.00112904 52
15438 36 C 11.4629 21.3778 67.1045 8.08382e-05 0.00365598 -0.00243868 52
15439 37 C 10.9562 20.3851 67.9738 -0.00131752 0.000263907 0.00606259 52
15440 38 C 12.2433 22.5924 67.5409 -0.000257785 -2.22265e-05 -0.00261576 52
15441 39 C 16.0153 22.4726 66.4775 -0.00244013 -0.00241362 -0.00130601 52
15442 40 C 15.8363 22.392 65.1017 -0.00204908 -0.00578333 -0.000797647 52
15443 41 C 14.5428 22.3169 64.539 -0.00171352 -0.00229791 0.00129029 52
15444 42 C 13.4 22.3536 65.357 -0.000393139 0.000494009 0.00063646 52
15445 43 C 13.5632 22.4715 66.7547 0.00181078 0.00390127 0.000496751 52
15446 44 C 14.8826 22.5631 67.2907 0.000922322 0.000223452 -0.00206824 52
15447 45 C 10.2103 25.8236 66.719 0.00181681 -0.00219987 0.00047764 52
15448 46 C 10.2581 25.7626 65.3036 -0.00436489 -0.000335591 0.000905776 52
15449 47 C 10.9311 24.7163 64.656 0.00364135 -0.00183918 0.00338502 52
15450 48 C 11.4702 23.6721 65.4594 0.00128677 -0.00198135 0.00522987 52
15451 49 C 11.9624 22.3758 64.8615 0.000968025 0.00366127 0.000371771 52
15452 50 C 11.4894 23.7808 66.8659 -0.000361025 0.00468994 -0.000358631 52
15453 51 C 10.8543 24.8559 67.5137 0.0049569 -0.00055882 0.00087044 52
15454 52 O 14.4364 22.3706 63.1536 0.000208788 -0.000539186 -0.00363555 52
15455 53 O 10.8196 19.9616 63.7505 -0.00100867 -0.003509 0.000289456 52
15456 54 O 11.0758 24.7756 63.2469 -0.00228245 -0.000292216 0.000471185 52
15457 55 C 14.3206 25.2544 80.5615 0.00163806 -0.00177767 -0.00164507 52
15458 56 C 15.0503 24.0444 79.9905 0.00478966 0.001292 0.00364995 52
15459 57 C 13.7928 21.3834 62.338 0.00216291 0.00107453 0.00326 52
15460 58 C 13.0703 22.0929 61.154 -0.00435243 -0.0037094 -0.000215961 52
15461 59 C 13.0476 21.33 59.8442 -0.00213587 0.000892878 0.000148386 52
15462 60 C 12.4918 22.1831 58.6742 0.000389361 -0.000111112 0.00292408 52
15463 61 C 12.6409 21.4419 57.3287 -0.00197085 -0.000762742 0.00264969 52
15464 62 C 12.1542 22.2784 56.1636 0.0017349 0.00447946 0.000646862 52
15465 63 C 12.4203 21.5363 54.863 -0.00173678 0.000508126 0.00286201 52
15466 64 C 11.9202 22.2634 53.6047 -0.000312795 0.00407724 -0.00417629 52
15467 65 C 12.4518 21.5644 52.3029 -0.00488432 0.000586104 -0.00252099 52
15468 66 C 11.8087 22.1067 51.0036 0.00329035 -0.000975012 -0.00298251 52
15469 67 C 12.3803 21.4288 49.718 -0.000504933 -0.00220451 0.0052612 52
15470 68 C 13.8578 21.7669 49.4493 -0.00378219 0.00150277 0.0019801 52
15471 69 F 12.8009 25.8199 70.7651 0.00144326 -0.00412995 0.000142564 52
15472 70 C 9.79778 19.3659 62.9341 -0.00137354 5.41808e-05 0.00192766 52
15473 71 C 10.053 19.9605 61.5563 -0.00261756 0.0035524 0.00278641 52
15474 72 C 9.22882 19.3106 60.4317 0.00128765 0.000138674 -0.00207177 52
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15701 299 H 17.7171 22.5716 94.0276 0.00272805 -0.000505001 -0.00498823 52
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15703 301 H 17.6899 20.5507 96.4359 0.0040666 -0.00375002 -0.00251922 52
15704 302 H 18.0678 22.2738 96.4486 0.015801 -0.00047101 -0.00624578 52
15705 1 C 20.1385 22.0334 79.1971 0.000239358 -0.00147126 0.00170338 53
15706 2 C 20.1238 21.9603 77.7967 -0.00146037 0.00040534 0.00029886 53
15707 3 C 19.438 20.8958 77.1885 0.00244246 -0.00133112 -0.000770114 53
15708 4 C 18.9178 19.8479 77.9729 0.00105784 0.000733444 -0.00204932 53
15709 5 C 18.9688 19.9506 79.3868 -0.00217064 -0.00428986 -0.00565082 53
15710 6 C 19.5646 21.077 80.0105 0.000967318 -0.00481718 -0.00249559 53
15711 7 C 14.36 18.3592 79.3546 0.00331801 -0.00308554 0.00316085 53
15712 8 C 14.4063 18.3279 77.9425 0.00155832 0.00408968 -0.000493456 53
15713 9 C 15.6314 18.4531 77.2939 -0.00036162 -0.00122106 -0.00160217 53
15714 10 C 16.81 18.5812 78.0105 -0.000458165 0.00500097 0.000168737 53
15715 11 C 16.7972 18.6714 79.4532 0.00130758 -0.0050581 -0.000581515 53
15716 12 C 15.5466 18.556 80.1388 -0.00250587 0.00333178 -0.00313968 53
15717 13 C 20.0186 15.3557 79.5011 -0.003239 0.00161709 -0.00331462 53
15718 14 C 19.9881 15.2734 78.1128 -0.00148936 -0.00103482 -0.00177089 53
15719 15 C 19.445 16.3243 77.3733 0.00372726 0.00167059 0.00178935 53
15720 16 C 18.868 17.4227 78.0672 0.00380366 -0.00313113 -0.000425506 53
15721 17 C 18.2027 18.6305 77.4032 0.000202764 -0.00172144 0.00112405 53
15722 18 O 19.7046 16.5172 81.6033 -0.00341763 0.00032172 -0.00070942 53
15723 19 O 15.4071 18.7381 81.5239 -0.00108012 0.00521083 -0.00429715 53
15724 20 O 19.5139 21.2453 81.3798 -0.00053051 5.52811e-05 -0.000605499 53
15725 21 C 19.5559 16.4685 80.232 -0.00136622 -0.00569897 -0.000502329 53
15726 22 C 18.2375 18.5612 75.9686 -0.000641085 -0.0027258 0.00492952 53
15727 23 C 18.1679 18.2753 74.7959 -0.00207514 -0.00012582 0.00660077 53
15728 24 C 17.8866 17.8559 73.4469 -0.00290135 0.00125036 -0.00150275 53
15729 25 C 17.0021 18.5834 72.608 0.00012471 -0.00154817 -0.00146181 53
15730 26 C 16.6433 18.0852 71.3612 -0.00130666 -0.00301226 -0.00468421 53
15731 27 C 17.1663 16.8759 70.9365 -0.00224361 0.0009227 -0.00406452 53
15732 28 C 18.0774 16.1454 71.7365 0.00325516 0.000671339 -0.00146364 53
15733 29 C 18.4524 16.658 72.9652 0.000704727 -0.00380381 0.00337983 53
15734 30 C 16.7836 16.3197 69.6926 -0.00410052 0.00143724 -0.00130238 53
15735 31 C 16.538 15.9687 68.5678 -0.00404703 -0.00180691 0.00295175 53
15736 32 C 14.5551 12.3471 66.8041 0.000572809 -0.00037779 -0.000320173 53
15737 33 C 14.6762 12.2009 65.4214 0.00196112 0.00148122 0.000584647 53
15738 34 C 15.1483 13.2341 64.6159 -0.0039139 0.000875102 -0.00220755 53
15739 35 C 15.6108 14.4326 65.2381 -0.00434806 -0.000303723 0.00119174 53
15740 36 C 15.6359 14.539 66.6701 -0.00214968 -0.000827787 -0.00415723 53
15741 37 C 15.0611 13.509 67.4238 1.46185e-05 -0.00412476 -0.000125051 53
15742 38 C 16.3649 15.8032 67.1334 -0.000124413 -0.00144707 -0.00534335 53
15743 39 C 20.1204 15.4572 66.2203 -0.000777974 0.000116924 -0.00659874 53
15744 40 C 20.042 15.4178 64.8178 0.00179376 0.00228209 -0.00196767 53
15745 41 C 18.7898 15.5566 64.2242 -0.003479 0.00101831 -0.00353676 53
15746 42 C 17.6142 15.6394 65.0217 -4.63411e-05 0.00334185 0.00347243 53
15747 43 C 17.7078 15.7179 66.4134 -0.000611017 -0.000343064 -0.00230308 53
15748 44 C 18.9831 15.6802 67.0036 0.000820086 -0.000411399 0.0049221 53
15749 45 C 14.2649 18.9606 66.3251 -0.00277709 -0.00275025 0.00219036 53
15750 46 C 14.2581 18.8574 64.9675 -0.00293516 0.000986674 -0.00202126 53
15751 47 C 14.8526 17.8109 64.3127 -0.00448006 -0.00123605 0.00295097 53
15752 48 C 15.5351 16.8481 65.0478 -0.00232725 -0.00127386 -0.00489912 53
15753 49 C 16.2038 15.625 64.4952 0.00351798 -0.000762242 0.00300944 53
15754 50 C 15.6061 16.9612 66.4584 0.000914488 0.00118055 0.00287654 53
15755 51 C 14.9512 18.0185 67.0975 -0.00546649 -0.00210982 -0.00483847 53
15756 52 O 18.6858 15.5344 62.8349 -0.00147574 -0.000535847 6.23341e-06 53
15757 53 O 15.2926 13.0476 63.2605 0.00353607 -0.00460245 0.00145946 53
15758 54 O 14.7222 17.8003 62.9435 0.00159777 0.00190432 0.00184825 53
15759 55 C 18.2265 18.7368 80.0678 0.000804688 -0.00342628 0.000860987 53
15760 56 C 18.9404 17.5065 79.469 0.00140676 0.00337336 -0.000710073 53
15761 57 C 18.2991 16.7708 62.2267 -0.000855043 -0.000579075 0.0031846 53
15762 58 C 17.608 16.3942 60.8841 0.0010682 -0.00102819 -0.00179983 53
15763 59 C 18.5815 16.0711 59.7402 0.00331977 -0.00308194 -0.000236468 53
15764 60 C 18.1825 14.8327 58.9149 -0.00384919 -0.000728398 0.00262211 53
15765 61 C 16.7201 14.6623 58.4361 -0.000266583 -0.0022205 0.000836785 53
15766 62 C 16.5306 15.2643 57.0387 -0.00157496 -0.000614768 0.00165945 53
15767 63 C 17.2447 14.5112 55.9142 -0.00981209 -0.00366342 -7.71725e-05 53
15768 64 C 16.7841 15.2292 54.5901 -0.00814391 -0.000919448 -0.000991004 53
15769 65 C 17.3488 14.5317 53.3724 -0.000628424 -0.0028197 -0.00548739 53
15770 66 C 16.9398 15.1892 52.0432 0.00169116 -0.000847282 0.00596178 53
15771 67 C 17.6035 14.5702 50.845 0.0017372 -0.00146507 -0.00359596 53
15772 68 C 17.2748 15.3345 49.5643 0.0022972 -0.00239315 0.00359523 53
15773 69 F 15.7897 18.7876 70.5735 0.000668194 0.00064341 -0.00167928 53
15774 70 C 16.1139 11.9791 62.7498 -0.00126264 0.00188745 0.00160773 53
15775 71 C 16.862 12.5598 61.5312 -0.00349237 -0.000341736 0.000767816 53
15776 72 C 17.0453 11.5181 60.3788 -0.00186014 -0.00254293 3.75285e-05 53
15777 73 C 17.4773 10.1228 60.7893 0.000245733 0.00291488 0.00108348 53
15778 74 C 18.236 9.4449 59.6829 -0.00209071 0.000127008 0.00222087 53
15779 75 C 17.4411 9.16992 58.3995 0.0016157 -0.00646285 0.00194576 53
15780 76 C 17.6097 10.2268 57.2831 0.00118419 0.00243925 -0.00257211 53
15781 77 C 17.0148 9.66387 55.9817 0.00226055 0.000915153 -0.00360686 53
15782 78 C 17.2678 10.4877 54.7285 -0.00116414 -0.0033749 -0.00257098 53
15783 79 C 16.7498 9.70053 53.4923 -0.000206776 0.00443754 0.000508395 53
15784 80 C 16.9575 10.4399 52.1899 -0.00214723 -0.00243401 0.00052208 53
15785 81 C 16.3963 9.6761 50.9934 0.000379128 0.000428231 -0.00197041 53
15786 82 C 13.4093 17.3651 62.4723 -0.00177439 -0.00226574 -0.00151229 53
15787 83 C 13.1805 17.8739 61.038 -0.000984953 0.00128078 -0.00162202 53
15788 84 C 13.9041 17.0352 59.9909 -0.00156957 0.00437474 -0.00185321 53
15789 85 C 13.8464 17.587 58.5594 0.00380762 -0.00170392 0.00171126 53
15790 86 C 12.6384 17.0988 57.6963 -0.00153883 -0.00330746 0.00245661 53
15791 87 C 12.8684 17.4433 56.1997 -0.00344495 0.00122022 0.000195407 53
15792 88 C 11.7837 16.9311 55.2634 -0.000566956 -0.00185531 -0.00107512 53
15793 89 C 11.8875 17.5283 53.8536 0.00205154 0.00154125 0.00675816 53
15794 90 C 12.9205 16.8875 52.9461 -8.96696e-05 -0.0015146 0.00089657 53
15795 91 C 12.9366 17.5451 51.5787 -0.000992432 0.00129874 0.00193055 53
15796 92 C 13.979 16.8533 50.6729 0.00226981 0.00289642 0.00206678 53
15797 93 C 13.8209 17.361 49.2579 0.00166967 -0.00163104 0.00221602 53
15798 94 C 14.0851 18.8722 82.1011 -0.00385759 0.00150856 0.000566247 53
15799 95 C 13.9817 18.8381 83.6571 0.00285702 0.000208378 0.00258916 53
15800 96 C 12.5109 19.0385 84.0989 0.000512312 -0.000210023 -0.00359084 53
15801 97 C 12.199 18.7145 85.5789 0.0002374 -0.000656166 0.00145207 53
15802 98 C 13.2784 18.9914 86.6664 0.0011714 0.000406161 0.00116876 53
15803 99 C 12.685 18.6365 88.0416 0.000890458 -0.00227252 -0.000703268 53
15804 100 C 13.628 18.8579 89.2377 -7.99005e-05 0.00136662 0.00102196 53
15805 101 C 12.7517 18.8708 90.4913 -0.0019271 -0.00126972 -0.00506956 53
15806 102 C 13.5107 18.9616 91.7871 0.00785109 -0.00388401 -0.00526381 53
15807 103 C 12.4423 19.304 92.8795 -0.00167107 -0.000702112 -0.00103433 53
15808 104 C 12.8821 18.988 94.342 0.0027948 0.00249644 0.0024849 53
15809 105 C 14.3791 19.1625 94.6231 -0.00414796 -0.0013875 0.00119651 53
15810 106 C 19.8886 22.4915 81.9879 -0.00271497 -0.00130528 0.0020598 53
15811 107 C 19.7905 22.4011 83.5134 0.00147632 0.00389899 0.00645113 53
15812 108 C 20.5156 23.5251 84.2913 -0.00184866 -0.00218863 -0.00307326 53
15813 109 C 20.5608 23.1181 85.7592 0.0032819 -0.002041 -0.00211228 53
15814 110 C 20.9585 24.167 86.7859 -0.00422805 0.00101906 -0.00245089 53
15815 111 C 21.144 23.446 88.1407 0.0032796 -0.00304597 0.00138465 53
15816 112 C 20.9136 24.2679 89.4109 0.000184402 0.00132384 -0.000410208 53
15817 113 C 21.236 23.41 90.6585 -0.00124383 -0.000988895 0.000402381 53
15818 114 C 20.7008 24.0377 91.9509 -0.00269132 -0.00211533 0.00317957 53
15819 115 C 21.0193 23.1176 93.1423 -0.000612538 -0.00293968 0.00238475 53
15820 116 C 20.9522 23.7542 94.5638 0.00485883 0.00137264 0.000906069 53
15821 117 C 21.7127 23.0309 95.6836 -0.00255345 0.00393895 0.00125842 53
15822 118 C 20.1554 15.3452 82.2985 -0.00104599 -0.000228413 0.00585164 53
15823 119 C 20.4306 15.4702 83.8169 0.000506515 -0.000691246 0.000665308 53
15824 120 C 21.1367 14.2648 84.4202 -0.00195536 0.00117297 0.000171559 53
15825 121 C 21.5505 14.4591 85.8601 -0.0022578 -0.00174852 0.0018717 53
15826 122 C 20.4662 14.184 86.9207 -0.000111488 0.00123615 0.000584257 53
15827 123 C 21.2187 14.3579 88.2583 0.0032887 -0.0046743 0.00231125 53
15828 124 C 20.3497 14.0966 89.5094 -0.00316929 -0.00286817 0.00311336 53
15829 125 C 21.1883 14.3022 90.7985 0.00166651 0.0024104 0.00157225 53
15830 126 C 20.4155 13.9872 92.1087 0.00122961 -0.000913285 0.00188199 53
15831 127 C 21.3231 14.2959 93.3117 0.00118035 -0.00234864 0.00404265 53
15832 128 C 20.6526 13.979 94.651 0.00438062 0.00187879 0.00136009 53
15833 129 C 21.4882 14.5612 95.7924 -0.000552849 0.00505321 2.90913e-05 53
15834 130 F 16.4458 19.7653 73.0353 -0.00364402 0.000747648 0.00323962 53
15835 131 H 20.6637 22.8583 79.6695 -0.00423139 0.0107929 -0.0148238 53
15836 132 H 20.5656 22.734 77.1757 -0.00515517 -0.0014556 -0.00465578 53
15837 133 H 19.369 20.8763 76.1049 -0.0171149 -0.0190232 0.000794051 53
15838 134 H 13.3435 18.358 79.7368 0.00186595 0.00414351 -0.000630153 53
15839 135 H 13.4933 18.257 77.3588 -0.000248381 0.00555305 0.00215336 53
15840 136 H 15.613 18.418 76.2086 0.0137245 0.00562186 -0.00204258 53
15841 137 H 20.4688 14.4985 79.9929 -0.0153228 -0.00570221 -0.0050049 53
15842 138 H 20.3776 14.4084 77.5843 -0.00179378 -0.0070823 0.00792205 53
15843 139 H 19.4486 16.2765 76.2884 0.0117889 -0.0167203 0.00263921 53
15844 140 H 18.4703 15.1996 71.3753 0.00246816 0.0045522 -0.0125079 53
15845 141 H 19.1868 16.1708 73.5996 -0.0119687 -0.00806049 0.0147774 53
15846 142 H 14.0919 11.5775 67.4145 -0.0140628 0.00419066 -0.00563369 53
15847 143 H 14.3852 11.2661 64.9516 -0.00177983 0.00161204 0.0026478 53
15848 144 H 15.0986 13.5599 68.508 0.00152164 -0.000710161 -0.000336641 53
15849 145 H 21.075 15.3428 66.7254 0.0004062 -0.00519716 -0.0100382 53
15850 146 H 20.9074 15.2632 64.1802 0.00301594 0.00685952 -0.00141448 53
15851 147 H 19.1013 15.7695 68.0795 0.0046354 -0.00655492 0.00500852 53
15852 148 H 13.7808 19.8015 66.813 0.0107584 0.00665391 -0.00055849 53
15853 149 H 13.6814 19.5637 64.3776 2.55165e-05 -0.00355014 -0.0103684 53
15854 150 H 16.1549 15.5243 63.4039 0.00549817 0.000855829 0.00277017 53
15855 151 H 14.9454 18.0931 68.1809 -0.0138641 0.000748054 -0.00508178 53
15856 152 H 18.2649 18.8326 81.16 0.0146351 0.00851918 -0.000637844 53
15857 153 H 17.5426 17.2874 62.8302 -0.00538824 -0.00289537 -0.000497699 53
15858 154 H 19.1762 17.3992 62.0287 0.000171154 -0.00553235 -0.00811014 53
15859 155 H 17.0009 17.2046 60.4622 -0.00655045 -0.0127497 -0.0134442 53
15860 156 H 16.9149 15.5708 61.0961 -0.00564407 0.00484766 -0.000905341 53
15861 157 H 19.5483 15.852 60.2099 0.00497526 -0.0128794 -0.00822681 53
15862 158 H 18.7558 16.9687 59.134 -0.00292336 -0.000330071 0.00203956 53
15863 159 H 18.4018 14.0476 59.6491 0.00835369 0.00787426 0.0082618 53
15864 160 H 18.964 14.6358 58.1707 0.00540093 0.00638982 0.0104057 53
15865 161 H 15.9862 15.126 59.1067 -0.00683478 -0.00807138 -0.00230093 53
15866 162 H 16.4794 13.596 58.3437 -0.00538808 -0.00212339 0.0132743 53
15867 163 H 16.8339 16.3181 57.0667 0.0105558 -0.00445468 0.0146866 53
15868 164 H 15.4575 15.2777 56.8115 -0.00276446 0.0202844 0.00847438 53
15869 165 H 16.9522 13.456 55.9791 -0.0119546 -0.00325722 -0.00318303 53
15870 166 H 18.3397 14.571 55.9434 -0.0104955 0.00571616 0.00595872 53
15871 167 H 17.1252 16.2715 54.6126 0.00368266 -0.0044181 -0.0188117 53
15872 168 H 15.6889 15.2117 54.529 -0.00868522 -0.00311894 0.00921084 53
15873 169 H 17.099 13.4646 53.4206 0.0132236 -0.00621105 -0.00847579 53
15874 170 H 18.4419 14.5563 53.4608 -0.00213572 0.00432317 0.0111965 53
15875 171 H 17.1577 16.2643 52.0536 -0.0030159 0.000196093 -0.00224037 53
15876 172 H 15.8442 15.1508 52.0009 0.00194576 -0.0110837 0.00885609 53
15877 173 H 17.2743 13.5286 50.7441 -0.00614866 0.00126345 -0.00609723 53
15878 174 H 18.6886 14.5706 51.0059 -0.00142596 0.0062323 0.0177517 53
15879 175 H 16.3042 15.053 49.1375 -0.000481284 -0.00612166 0.0123942 53
15880 176 H 18.0649 15.0755 48.8487 -0.00312776 0.0109164 -0.00717758 53
15881 177 H 17.2581 16.4259 49.6739 0.00462503 -0.002953 0.0094471 53
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15883 179 H 15.4998 11.1338 62.4153 -0.00319713 0.0118811 -0.0201241 53
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15885 181 H 17.8043 13.0242 61.8472 -0.00251098 -0.00418813 0.00349325 53
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15889 185 H 16.6587 9.48053 61.1369 0.00909094 -0.00822026 0.00141676 53
15890 186 H 19.1106 10.0733 59.474 0.0069633 -0.0136385 -0.00125735 53
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15894 190 H 17.0971 11.176 57.4821 0.0074674 0.00627195 -0.00465925 53
15895 191 H 18.6811 10.4329 57.1696 -0.000136958 0.00997001 -0.00136058 53
15896 192 H 17.4243 8.65813 55.826 -0.00795607 -0.00582794 0.0129345 53
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15900 196 H 17.213 8.70742 53.4419 -0.00717406 0.00110863 0.00206619 53
15901 197 H 15.6633 9.58807 53.5937 -0.000755489 0.00753577 -0.00186846 53
15902 198 H 16.4466 11.4097 52.2325 0.0129513 0.00469598 0.0188728 53
15903 199 H 18.0201 10.6333 51.9981 -0.00105636 -0.00652516 0.00247035 53
15904 200 H 15.3319 9.88427 50.8286 -0.0022268 -0.00337818 0.00999474 53
15905 201 H 16.975 9.92036 50.0941 0.00542769 -0.00994421 -0.00154353 53
15906 202 H 16.4338 8.59017 51.1443 0.00392748 0.0036261 0.0201199 53
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15908 204 H 12.6402 17.8451 63.09 -0.00467705 0.00342474 -0.00953763 53
15909 205 H 12.1118 17.8656 60.7907 0.000820608 0.0121675 -0.00982252 53
15910 206 H 13.4907 18.9261 61.0377 0.00779915 -0.00130292 0.00690655 53
15911 207 H 14.9648 16.9789 60.265 0.000603816 0.0101626 -0.00905198 53
15912 208 H 13.5353 16.0027 60.0257 0.0114933 -0.000102834 0.00374783 53
15913 209 H 13.763 18.6805 58.5834 -0.00026038 -0.00189787 -0.00318664 53
15914 210 H 14.8067 17.3559 58.0821 0.00517201 -0.0113624 0.00913281 53
15915 211 H 12.5919 16.0041 57.7511 0.0158883 -0.00492928 -0.0149632 53
15916 212 H 11.6832 17.4761 58.0819 -0.00931093 0.00356667 -0.0235607 53
15917 213 H 12.9203 18.5373 56.1375 0.0093734 0.00104045 0.00757851 53
15918 214 H 13.8613 17.0514 55.9468 -0.00822198 -0.00953887 -0.0018253 53
15919 215 H 11.7713 15.8342 55.2736 -0.00895055 -0.00179783 -0.00507441 53
15920 216 H 10.8427 17.2707 55.7135 -0.0074947 -0.0125334 -0.0075345 53
15921 217 H 10.9094 17.4731 53.36 0.0021647 0.00298351 0.00637268 53
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15923 219 H 13.9089 16.9722 53.4144 -0.0029574 0.0101016 0.00484001 53
15924 220 H 12.7393 15.813 52.819 -0.00145908 -0.00177002 0.00503195 53
15925 221 H 11.9511 17.4484 51.1066 0.00629125 -0.00788522 -0.0114105 53
15926 222 H 13.1442 18.6178 51.6768 -0.00498129 0.00288716 -0.00698935 53
15927 223 H 14.9545 17.1341 51.0889 -0.00381661 -0.00320488 0.0205393 53
15928 224 H 13.8826 15.7607 50.6887 0.00625821 0.00238633 -0.00892971 53
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16310 2 C 28.0039 21.7315 78.4349 0.00267033 0.0035065 0.00291607 55
16311 3 C 27.533 20.5288 77.8673 0.00192745 -0.000526771 -0.00106517 55
16312 4 C 26.8352 19.6475 78.7146 0.000954019 0.00278722 0.00375195 55
16313 5 C 26.8044 19.8598 80.1221 0.00270252 0.000424479 0.00575902 55
16314 6 C 27.2994 21.0586 80.6755 -0.00101322 0.00185181 -0.000819353 55
16315 7 C 22.2513 18.7473 80.0405 -0.000965487 0.00110112 -0.00474923 55
16316 8 C 22.3173 18.5176 78.6692 -0.00285473 -9.56079e-05 0.000677689 55
16317 9 C 23.5367 18.4322 78.0911 0.00144511 6.54992e-05 0.00182419 55
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16319 11 C 24.6878 18.7163 80.2337 0.00103576 0.000250579 0.000797819 55
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16322 14 C 27.9509 15.1036 79.3935 0.00249995 0.000373266 -0.00313775 55
16323 15 C 27.3353 16.0403 78.5481 -0.000469137 -0.00296882 0.00307075 55
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16330 22 C 26.1543 18.1274 76.8537 0.00139808 0.00242609 -0.000885764 55
16331 23 C 26.0155 17.8373 75.6819 0.00239113 -0.00378154 0.00107385 55
16332 24 C 25.7815 17.3585 74.3969 -0.00299623 0.001646 0.000833012 55
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16337 29 C 25.3897 18.3093 73.4176 -0.00152102 -0.000911573 0.00307674 55
16338 30 C 24.5473 16.0135 70.6441 0.00273962 0.00169323 0.000586748 55
16339 31 C 24.2687 15.7535 69.5002 -0.000704124 -0.00183456 -0.00275586 55
16340 32 C 22.3392 12.2376 67.6354 0.00130174 0.000365945 -0.00288607 55
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16342 34 C 22.9875 13.1722 65.4857 0.00154735 0.000159426 0.000314709 55
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16347 39 C 27.7463 15.742 67.0905 0.00145352 -0.00413939 -0.000488153 55
16348 40 C 27.6289 15.8805 65.7001 -0.000929671 0.00296137 -0.00485993 55
16349 41 C 26.4091 15.8353 65.0657 -0.00134457 -0.00436488 -0.00229745 55
16350 42 C 25.2901 15.6873 65.8743 0.00408094 -0.0048357 0.000561335 55
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16354 46 C 21.9914 18.8885 66.0221 -0.0062336 -0.000393015 0.00272761 55
16355 47 C 22.5671 17.8605 65.3227 0.00195543 -0.00400739 -0.00127551 55
16356 48 C 23.1766 16.8129 66.0192 -0.00221249 0.00209024 -0.000227035 55
16357 49 C 23.875 15.6139 65.3512 0.00578421 -5.61162e-05 0.00122327 55
16358 50 C 23.2568 16.8347 67.4356 -0.00121625 -0.00323989 -0.00203609 55
16359 51 C 22.6449 17.876 68.1364 0.00246286 -0.000190176 -0.00359396 55
16360 52 O 26.3488 16.1249 63.7269 -0.000305984 -0.000537776 0.000574139 55
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16363 55 C 26.1097 18.7287 80.8878 -0.00313474 0.000585381 -0.00019653 55
16364 56 C 26.7979 17.3972 80.4692 0.00135866 -0.00225047 0.00472258 55
16365 57 C 25.9204 15.1829 62.7752 -0.00209367 0.00112239 -0.00110314 55
16366 58 C 25.9849 15.8267 61.3873 -0.00396961 0.00229483 -0.000855529 55
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16369 61 C 24.4588 14.9442 57.9742 -0.00124567 -0.000985989 0.000393704 55
16370 62 C 24.8954 15.3 56.5407 -0.00177886 0.000293085 -0.000780201 55
16371 63 C 24.1674 14.5405 55.4274 -0.00124531 0.000271779 -0.00419709 55
16372 64 C 24.6311 15.033 54.036 -0.00543129 -0.00213589 0.00434176 55
16373 65 C 24.0936 14.1929 52.8803 0.00295973 0.0030881 -2.95186e-05 55
16374 66 C 24.5992 14.629 51.4959 0.0022291 -0.00121462 0.00132253 55
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16376 68 C 24.2307 14.6419 49.002 -0.000424331 8.60363e-05 0.00126735 55
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16378 70 C 23.5424 11.8447 63.5886 -0.00304742 -0.00144753 -0.00323471 55
16379 71 C 24.2647 12.1609 62.2755 0.00370431 -0.000737606 0.00177348 55
16380 72 C 24.3106 10.9354 61.3284 -0.000389352 0.00173201 -0.00139296 55
16381 73 C 25.0053 11.1297 59.9661 0.00373415 -0.00479454 -0.0014115 55
16382 74 C 24.2799 10.385 58.7984 -0.000202428 0.00076965 0.00142379 55
16383 75 C 24.8253 10.7876 57.4201 -3.95303e-05 0.00137112 -0.000566116 55
16384 76 C 24.238 9.9911 56.2678 0.000461695 -0.00202132 -0.000696178 55
16385 77 C 24.6415 10.5586 54.8778 0.000180126 0.00212436 0.00120798 55
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16615 5 C 30.4815 26.6192 80.1161 0.000403083 -0.00124306 -0.00108746 56
16616 6 C 30.9939 27.7327 80.8189 0.00150727 -0.000448635 -0.000650057 56
16617 7 C 25.9611 25.4413 80.036 -0.00206284 0.000710341 -0.00214724 56
16618 8 C 26.0093 25.3617 78.639 0.00305859 -0.00385911 0.00211396 56
16619 9 C 27.2299 25.2846 77.9623 0.0015931 -0.000402344 0.00143956 56
16620 10 C 28.4253 25.3102 78.7222 0.00127732 -0.00240338 0.000891772 56
16621 11 C 28.3994 25.4001 80.1103 -0.000457052 0.00132669 0.00245251 56
16622 12 C 27.1495 25.4936 80.7921 0.00122038 -0.00128847 0.00119325 56
16623 13 C 31.8444 22.108 80.0866 -0.000575425 -0.00295867 0.00102056 56
16624 14 C 31.8634 22.1417 78.6993 -0.00285171 -0.000854506 -0.00057867 56
16625 15 C 31.2243 23.1618 78.0074 0.000564064 0.00318894 -0.00182388 56
16626 16 C 30.5604 24.1951 78.7428 0.00312533 0.00264785 -0.000750087 56
16627 17 C 29.8297 25.3773 78.0837 0.00133412 0.00328899 -0.00110572 56
16628 18 O 31.2326 23.1684 82.2335 0.00246332 0.000129064 -0.00106012 56
16629 19 O 27.038 25.6923 82.1758 0.000451911 0.00278288 0.00172733 56
16630 20 O 30.846 27.8195 82.2003 -0.001428 0.00155027 0.00128061 56
16631 21 C 31.1633 23.1243 80.8178 0.000517267 0.00164327 0.000315073 56
16632 22 C 29.7497 25.3044 76.6445 0.000266353 -0.000504432 0.00342465 56
16633 23 C 29.6172 25.0568 75.4562 -0.00320951 -0.000430591 -0.00377778 56
16634 24 C 29.3833 24.6061 74.1195 0.00370677 0.00227062 -0.00120861 56
16635 25 C 28.1764 24.9653 73.4731 0.0008739 0.00199035 0.000159379 56
16636 26 C 27.8252 24.3275 72.2626 -0.00339996 0.00143515 -0.00245087 56
16637 27 C 28.6574 23.3273 71.7144 0.00218208 0.000285702 0.00364997 56
16638 28 C 29.8491 22.9983 72.3604 0.00131391 -0.00401463 0.000959583 56
16639 29 C 30.2349 23.6294 73.5505 0.00470201 0.00173499 -0.00610652 56
16640 30 C 28.3418 22.8336 70.4218 -0.000800106 0.0016231 -5.63461e-05 56
16641 31 C 28.1386 22.5749 69.262 0.00153305 -0.00464453 0.00269843 56
16642 32 C 26.0349 19.1977 67.4818 0.00188885 -0.00336984 0.00429719 56
16643 33 C 25.9612 19.1199 66.0559 0.00143849 -0.000594286 0.00191364 56
16644 34 C 26.6123 20.0754 65.2434 -0.00140652 -0.00282248 -0.0019968 56
16645 35 C 27.2155 21.1652 65.8908 -0.00542285 -0.00159807 -0.000940197 56
16646 36 C 27.2039 21.2882 67.2882 -0.00284238 0.00367389 -0.00508962 56
16647 37 C 26.6329 20.2814 68.1059 -0.00107316 0.00208306 -0.00704742 56
16648 38 C 28.0139 22.4957 67.8259 -0.00465431 1.94518e-05 0.00470905 56
16649 39 C 31.7961 22.5637 66.9048 -0.00135575 0.00150059 -0.00594274 56
16650 40 C 31.666 22.5842 65.5006 -0.000194477 0.00156562 -0.00218613 56
16651 41 C 30.4018 22.5357 64.9246 -0.00362737 -0.00599918 0.000977625 56
16652 42 C 29.25 22.3919 65.7258 -0.00595108 -0.00190068 0.00422582 56
16653 43 C 29.3867 22.4101 67.1239 -0.00201617 -0.00609722 -0.000782152 56
16654 44 C 30.6526 22.4292 67.7081 -0.00359745 -0.00129775 -0.0029295 56
16655 45 C 26.312 25.8897 67.1417 0.000227074 0.00120786 -0.00161115 56
16656 46 C 26.3057 25.899 65.7429 0.00241984 -0.00463155 -0.00225125 56
16657 47 C 26.7375 24.7728 65.0264 -0.00108708 0.00178863 -0.00159577 56
16658 48 C 27.2578 23.6614 65.7583 -0.00618862 -0.00232992 -0.0039006 56
16659 49 C 27.814 22.3795 65.1715 -0.00769339 0.00136048 -0.000530675 56
16660 50 C 27.2944 23.6774 67.1753 -0.00112908 -0.000750705 -0.00515018 56
16661 51 C 26.7945 24.7977 67.8471 -0.0014867 -0.00445481 -0.00138608 56
16662 52 O 30.1418 22.7084 63.604 -0.00057927 -0.00273971 0.00104128 56
16663 53 O 26.5915 19.9939 63.8659 0.00057261 -0.00225118 0.000360774 56
16664 54 O 26.6313 24.795 63.6546 -0.00466 -0.000439129 -0.00179967 56
16665 55 C 29.8333 25.3631 80.7448 -0.00109781 0.00164242 0.000221595 56
16666 56 C 30.5622 24.1774 80.1115 0.00286283 -0.00134433 -0.00336528 56
16667 57 C 30.6422 21.8197 62.6168 -0.000705277 0.000545403 0.00198776 56
16668 58 C 29.697 21.974 61.4419 0.000710785 0.00158441 0.00150236 56
16669 59 C 30.1944 21.3746 60.1092 -0.00324728 -0.00162348 0.00235782 56
16670 60 C 29.2599 21.8724 59.0067 0.00160402 -0.00072573 -0.00207325 56
16671 61 C 29.6956 21.3754 57.6054 0.00267241 -0.000491271 0.000417932 56
16672 62 C 28.6147 21.6037 56.5415 0.00528313 -0.000126874 -0.000860527 56
16673 63 C 29.1387 21.3332 55.156 -0.00308497 0.00127995 0.000558972 56
16674 64 C 28.0858 21.4847 54.0527 0.000214375 -0.00364444 -0.00524787 56
16675 65 C 28.8059 21.7518 52.7283 0.000263152 0.000857741 -0.00130121 56
16676 66 C 27.8213 21.7026 51.5478 -0.000938467 0.000647824 0.00122988 56
16677 67 C 28.6384 22.0023 50.2839 -0.000461831 0.000183558 -0.00210204 56
16678 68 C 27.7228 21.8773 49.085 0.00243579 0.00641541 0.00260057 56
16679 69 F 26.7222 24.6959 71.6284 0.00293139 3.44488e-05 -0.0009829 56
16680 70 C 25.3744 20.1132 63.1569 -0.0015285 0.00397002 0.00334398 56
16681 71 C 25.5671 21.2063 62.0596 -0.000346692 -0.00275382 0.00363625 56
16682 72 C 26.0596 20.6676 60.6845 -0.0022209 -0.00133851 0.000947231 56
16683 73 C 25.024 19.7389 59.994 0.00134174 0.00070917 0.000215256 56
16684 74 C 25.3491 19.4864 58.5071 0.00180804 -0.00277897 0.00177332 56
16685 75 C 24.9977 20.6694 57.5681 0.000767794 -2.71994e-05 0.00183768 56
16686 76 C 24.9703 20.2439 56.0726 0.00137836 0.000791191 0.00114573 56
16687 77 C 24.3039 21.2926 55.125 0.0060187 0.003248 0.0024737 56
16688 78 C 23.759 20.6409 53.8236 0.00415866 0.00209714 -0.00241916 56
16689 79 C 24.8861 20.2297 52.8692 -0.00449569 -0.00123685 0.00263367 56
16690 80 C 24.4228 19.8431 51.4559 0.00448159 0.00390772 0.000682387 56
16691 81 C 23.6073 18.5755 51.4505 0.00175159 -0.00337759 -0.00241716 56
16692 82 C 27.7461 24.5702 62.7866 -0.00120845 0.00104241 -0.00378312 56
16693 83 C 27.867 25.6723 61.6949 0.00185599 -0.000728067 0.00168731 56
16694 84 C 27.6601 25.2934 60.2271 -0.00247791 -0.000783409 0.00134002 56
16695 85 C 28.7183 25.904 59.2774 0.00474247 0.00396699 0.000185401 56
16696 86 C 28.3571 25.6831 57.795 -0.00275802 0.00109878 0.00213419 56
16697 87 C 29.497 26.158 56.8351 0.000520477 -0.00294635 -0.00156088 56
16698 88 C 29.0087 26.3302 55.3964 -0.000820505 -0.000987313 -0.00249317 56
16699 89 C 28.5289 25.0612 54.6534 0.000729668 -0.00239885 -0.00272993 56
16700 90 C 27.8753 25.2829 53.2826 0.00441083 0.00132455 -0.00115035 56
16701 91 C 28.8625 25.7419 52.1934 5.75768e-05 0.000826018 -0.00509814 56
16702 92 C 28.1421 25.9824 50.8583 -0.00332501 -0.000686255 -7.75048e-05 56
16703 93 C 29.0316 26.3094 49.644 0.00312994 -0.00432522 0.000705954 56
16704 94 C 25.7103 25.8085 82.7317 -0.00801739 0.00261898 -0.00241582 56
16705 95 C 25.7117 25.7274 84.2453 0.00191083 -0.000203959 0.00482031 56
16706 96 C 24.3119 25.8728 84.9102 -0.00523045 -0.00607125 -0.00022341 56
16707 97 C 24.3489 26.1026 86.4467 -0.00336542 -0.00188331 7.64982e-05 56
16708 98 C 24.7435 24.8529 87.1818 0.000243101 0.000932592 0.00600332 56
16709 99 C 24.7963 24.9944 88.7044 -0.000598653 -0.000400097 0.00228074 56
16710 100 C 25.0506 26.3769 89.3094 -0.000355769 0.00378028 0.00180012 56
16711 101 C 25.5735 26.3047 90.7652 -0.00150907 -0.000227583 0.00145407 56
16712 102 C 24.5449 25.9288 91.8409 -0.00176781 0.000566125 0.00104809 56
16713 103 C 25.2317 25.7661 93.2257 -0.000787677 0.00170824 -0.00473878 56
16714 104 C 24.2224 25.5034 94.3586 -0.00402105 0.00092299 -0.0037819 56
16715 105 C 24.9549 25.2764 95.7149 0.00366176 -0.00174755 0.000434454 56
16716 106 C 30.979 29.0606 82.8452 -1.01658e-05 0.00181591 0.00213907 56
16717 107 C 32.4135 29.3003 83.2788 -0.0013596 0.00362656 -0.000724037 56
16718 108 C 32.5477 30.2205 84.5214 0.00422559 0.00054219 0.0015079 56
16719 109 C 32.3449 29.5023 85.879 0.000908519 -0.00222424 -0.00109192 56
16720 110 C 32.4587 30.4774 87.0494 0.000382286 -0.00148865 -0.000464532 56
16721 111 C 32.4142 29.7144 88.3837 -0.00199453 -0.00533709 0.00205111 56
16722 112 C 32.3352 30.6005 89.6459 -0.00466441 0.000981073 0.0028651 56
16723 113 C 32.4125 29.7101 90.9352 -0.00460842 0.0031204 0.00186328 56
16724 114 C 32.449 30.6053 92.1793 -9.01915e-05 -0.00414033 -0.00106196 56
16725 115 C 32.7084 29.7067 93.4216 -0.00201738 -0.00109355 -0.00134853 56
16726 116 C 32.4146 30.4216 94.7732 0.00180409 0.00295564 -0.0038299 56
16727 117 C 32.7924 29.5618 95.9466 -0.00172053 0.00176679 -0.00236466 56
16728 118 C 32.2892 22.354 82.8219 -0.00203848 -0.00392216 -0.0019252 56
16729 119 C 32.2735 22.1319 84.3546 -0.00261667 -0.000622514 0.00136828 56
16730 120 C 32.8785 20.7737 84.7116 -0.00168725 0.000947287 -0.000643452 56
16731 121 C 33.4401 20.6402 86.1571 -0.000764443 -7.66367e-05 0.000455674 56
16732 122 C 32.6492 21.328 87.2858 0.000801416 -0.00097748 -0.00111695 56
16733 123 C 33.2461 20.984 88.664 0.00281756 0.00300917 3.15762e-05 56
16734 124 C 32.7849 21.9834 89.7624 0.000634477 -0.000128624 -0.0017266 56
16735 125 C 33.3682 21.6831 91.1836 -0.00175666 -0.000750749 -0.000114248 56
16736 126 C 32.5677 20.5745 91.8663 0.000435996 0.00279188 0.000484441 56
16737 127 C 33.0634 20.2871 93.32 -0.000178599 0.000885821 -0.000817182 56
16738 128 C 32.9129 21.4404 94.3015 0.000344255 -0.00128947 -0.00288649 56
16739 129 C 33.4798 21.1269 95.6691 3.27056e-05 0.00279414 0.00180887 56
16740 130 F 27.3952 25.952 73.9737 0.00020546 0.00296699 0.00192651 56
16741 131 H 32.1398 29.5574 80.5949 -0.00731473 0.00159006 -0.00209816 56
16742 132 H 32.3596 29.3823 78.1239 0.00712128 0.0130045 0.0141456 56
16743 133 H 31.1798 27.5686 76.8904 -0.0100494 -0.00783496 0.00393673 56
16744 134 H 24.9676 25.5153 80.4682 -0.00502285 0.00232942 -0.00923485 56
16745 135 H 25.1093 25.299 78.0345 0.0017246 -0.0108557 0.00482094 56
16746 136 H 27.2476 25.2098 76.8791 0.00202296 0.011889 0.000599142 56
16747 137 H 32.3799 21.2752 80.5327 -0.00108454 -0.00359586 0.000442515 56
16748 138 H 32.4202 21.3734 78.1709 0.00228914 -0.000827529 0.00478145 56
16749 139 H 31.2738 23.1639 76.9225 0.00377124 -0.00495766 -0.00169274 56
16750 140 H 30.5199 22.2755 71.9055 0.00250392 -0.0149637 0.0201207 56
16751 141 H 31.1759 23.3772 74.0305 0.0124914 0.00962376 -0.01721 56
16752 142 H 25.547 18.4405 68.0884 -0.0079061 0.000921052 0.00179402 56
16753 143 H 25.4851 18.2492 65.6147 -0.00284165 0.00517766 -0.00481249 56
16754 144 H 26.6411 20.323 69.191 0.0135306 0.00115812 -0.00712727 56
16755 145 H 32.7853 22.6139 67.3501 -0.00406002 0.00891036 -0.000800096 56
16756 146 H 32.5638 22.6653 64.895 0.0081111 0.0154911 0.0119628 56
16757 147 H 30.7274 22.502 68.7891 -0.00909764 0.0167876 -0.00373646 56
16758 148 H 25.8347 26.6789 67.7152 -0.0096544 -0.00755868 0.00227742 56
16759 149 H 25.9035 26.7671 65.2291 -0.00370493 -0.0127985 -0.0112316 56
16760 150 H 27.7325 22.3064 64.08 -0.00503875 0.0199214 -0.00197295 56
16761 151 H 26.7178 24.8265 68.9301 -0.00254028 -0.000183018 -0.00157203 56
16762 152 H 29.8222 25.3306 81.8413 0.00790606 0.0103357 0.000562763 56
16763 153 H 31.6848 22.0673 62.3822 -0.00366692 0.020695 0.0101524 56
16764 154 H 30.5942 20.7859 62.9804 0.00533704 -0.00239504 -0.00557074 56
16765 155 H 29.487 23.0424 61.3084 0.00324588 0.00202205 0.00103883 56
16766 156 H 28.7294 21.565 61.7578 0.000487297 0.00926451 0.010838 56
16767 157 H 30.1931 20.2782 60.1475 -0.00577382 -0.00122657 0.0134708 56
16768 158 H 31.2413 21.6672 59.9616 -0.0018757 -0.00774366 -6.47083e-05 56
16769 159 H 29.2718 22.9692 59.0224 0.00165115 -0.000670638 -0.00608445 56
16770 160 H 28.2308 21.5607 59.2242 0.00540678 -0.00954893 0.00326541 56
16771 161 H 29.9635 20.3134 57.667 -0.008171 -0.00400967 -0.0129257 56
16772 162 H 30.6017 21.905 57.2863 0.0054943 -0.0112795 -0.00947828 56
16773 163 H 28.3373 22.6642 56.5843 0.0208412 0.00405448 -0.00346434 56
16774 164 H 27.7094 21.0454 56.8101 0.013165 -0.0066736 0.0121464 56
16775 165 H 29.5256 20.307 55.135 0.0102007 0.00618078 0.00562843 56
16776 166 H 29.9675 22.0216 54.9498 0.00300241 -0.00558183 0.00214995 56
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16778 168 H 27.4287 20.6121 53.9519 -0.00495455 -0.000634485 0.00239781 56
16779 169 H 29.6095 21.0257 52.5539 0.0184203 0.021014 -0.00162801 56
16780 170 H 29.2651 22.7469 52.7759 -0.00612616 0.00327424 0.00994571 56
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16782 172 H 27.3372 20.7198 51.4916 -0.0048332 0.00201707 0.0107897 56
16783 173 H 29.5053 21.3417 50.1598 0.00357635 0.00414344 0.00505334 56
16784 174 H 28.9547 23.0514 50.3354 0.00423333 -0.000753205 -0.0120981 56
16785 175 H 26.8832 22.5825 49.1195 0.00224406 0.00619605 0.00243597 56
16786 176 H 27.2736 20.877 49.0532 0.00193473 0.00680087 -0.00254401 56
16787 177 H 28.2858 21.9579 48.147 0.00554644 -0.0204291 0.00212384 56
16788 178 H 25.136 19.1089 62.7855 0.00810897 -0.00361862 0.0175592 56
16789 179 H 24.5987 20.4631 63.8493 -0.000291326 0.00755348 0.00292795 56
16790 180 H 24.6422 21.7926 61.9944 0.00237603 -0.000122957 -0.01086 56
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16792 182 H 26.1409 21.5539 60.0432 -0.0106895 -0.000362779 0.00118891 56
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16795 185 H 24.0379 20.2166 60.0472 -0.00729184 -0.016233 -0.0084576 56
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16799 189 H 25.6536 21.5257 57.768 -0.00699025 0.0091027 -0.0118544 56
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16801 191 H 24.4006 19.321 55.9078 0.00532324 -0.00408691 0.015098 56
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16810 200 H 22.6383 18.8441 51.8891 0.00438151 -0.0187484 0.0128499 56
16811 201 H 23.552 18.1125 50.4576 -0.00799904 0.00388949 -0.00522959 56
16812 202 H 24.0434 17.8047 52.098 0.00756158 0.00198769 4.02968e-05 56
16813 203 H 28.6629 24.596 63.3884 2.60791e-05 0.0118335 -0.00612077 56
16814 204 H 27.6445 23.5773 62.3314 0.0304396 -0.00140775 -0.00547137 56
16815 205 H 27.1839 26.511 61.8776 -0.0104114 -0.0130788 0.012233 56
16816 206 H 28.8484 26.1465 61.8189 -0.00341679 0.0117528 -0.00424419 56
16817 207 H 27.6507 24.2066 60.0784 -0.00820638 -0.000536741 -6.33955e-05 56
16818 208 H 26.6885 25.7323 59.9686 0.00219701 0.00578974 -0.00505689 56
16819 209 H 28.8364 26.9745 59.4858 0.0198662 0.00318684 -0.00437741 56
16820 210 H 29.7004 25.4371 59.422 0.00332432 0.00202557 0.003513 56
16821 211 H 28.1194 24.6252 57.6279 0.0038968 -0.00147408 0.00892364 56
16822 212 H 27.47 26.2899 57.5754 -0.00188573 0.00484069 0.00892425 56
16823 213 H 29.8618 27.1277 57.1956 -0.00415003 -0.000707724 -0.00282778 56
16824 214 H 30.2785 25.3882 56.8429 0.00848973 0.00516676 -0.00274074 56
16825 215 H 28.2107 27.0817 55.3536 -0.000543109 -0.0010156 -0.00823229 56
16826 216 H 29.8768 26.7526 54.8753 -0.00197106 0.0155132 0.00893757 56
16827 217 H 29.3633 24.3576 54.5431 0.00244875 -0.000673396 -0.000721615 56
16828 218 H 27.7929 24.5287 55.2683 -0.00856702 0.00134773 -0.0106199 56
16829 219 H 27.4279 24.3324 52.9668 0.00267983 0.000130652 0.00489364 56
16830 220 H 27.0525 25.9996 53.3955 0.00898878 0.0073305 -0.00595177 56
16831 221 H 29.3841 26.6564 52.5016 -0.00718354 0.00115289 0.00620209 56
16832 222 H 29.5625 24.9117 52.0383 0.00258401 0.00658635 -0.0244906 56
16833 223 H 27.5597 25.0717 50.6713 -0.00697629 0.00403478 -0.0115525 56
16834 224 H 27.4435 26.8008 51.0718 -0.000114872 0.00154722 0.00189849 56
16835 225 H 29.8053 25.5459 49.4962 0.00571103 0.00253337 -0.0212541 56
16836 226 H 28.4131 26.3657 48.7397 7.16545e-06 -0.0115085 0.00238745 56
16837 227 H 29.5896 27.2441 49.7791 0.0111936 -0.00965572 0.00440021 56
16838 228 H 25.2782 26.7551 82.3845 -0.00699219 0.00667902 0.00742009 56
16839 229 H 25.077 25.0193 82.3078 0.00849584 -0.0134459 0.00287687 56
16840 230 H 26.1319 24.7481 84.5058 0.00166213 0.000630678 0.00834937 56
16841 231 H 26.3837 26.4941 84.6504 -0.000857477 0.0017209 0.00577267 56
16842 232 H 23.8801 26.7911 84.4934 -0.00847302 -0.000591791 0.0151927 56
16843 233 H 23.5846 25.1002 84.6316 -0.0229337 0.0121792 -0.00476646 56
16844 234 H 25.0411 26.9087 86.7196 -0.000692613 -0.00235923 -0.00533255 56
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16900 290 H 31.6892 22.0251 89.7944 0.000270944 -0.00851901 -0.00309293 56
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16914 2 C 35.7311 21.792 78.0902 -0.00603101 -0.00285839 0.00106668 57
16915 3 C 35.2109 20.6037 77.5557 -0.00190999 -0.0023769 0.000910141 57
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16917 5 C 34.5957 19.8753 79.8494 0.0019552 -0.000366833 8.61653e-05 57
16918 6 C 35.1772 21.035 80.3988 -0.000770203 0.000858488 -0.00176 57
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16921 9 C 31.2616 18.4065 77.9563 0.001526 0.00164479 3.16338e-06 57
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16926 14 C 35.9236 15.2452 78.7188 -0.00024386 0.00119741 0.00462449 57
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16941 29 C 33.9085 16.5036 73.4409 0.00126103 -0.00166222 -0.00836032 57
16942 30 C 32.2625 16.4857 69.9993 -0.00233065 0.0029585 0.000654821 57
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16944 32 C 30.3593 12.3272 67.3144 0.00445256 9.21135e-05 0.00212629 57
16945 33 C 30.4426 12.1247 65.9099 -0.00199884 0.00166683 -0.000704082 57
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16956 44 C 34.5306 15.9314 67.249 -0.000741445 -0.00289795 -0.000128142 57
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17001 89 C 28.6233 17.0632 53.9819 -0.00142093 -0.000103647 0.00108771 57
17002 90 C 28.6282 17.8039 52.6077 0.00193941 0.00125125 0.00220641 57
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17014 102 C 29.1474 19.2292 91.841 0.00433002 -0.00334175 4.44577e-05 57
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17024 112 C 36.2876 23.6587 89.4036 -0.00216066 0.00186588 -0.00218344 57
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17030 118 C 35.9051 15.0574 82.8324 -0.00367064 0.000206717 0.00153673 57
17031 119 C 35.8988 15.1274 84.3361 -0.000223464 0.0035756 0.00124398 57
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17033 121 C 37.2165 14.3709 86.3792 0.00287643 0.00240585 0.00441112 57
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17038 126 C 36.7899 14.0609 92.7174 0.00158873 0.000203619 -0.00076486 57
17039 127 C 37.4938 14.8744 93.7937 -0.00225318 -0.00165597 0.00211355 57
17040 128 C 36.9969 14.4935 95.2115 -0.00406061 -0.00153683 0.00102497 57
17041 129 C 37.7723 13.2886 95.7328 -0.00380799 -0.0023999 -0.00286828 57
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17522 6 C 42.9758 20.8542 80.4815 0.00153666 1.95207e-06 0.00104355 59
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17528 12 C 38.9909 18.6735 80.7253 0.000773276 0.00181157 -0.00282016 59
17529 13 C 43.5767 15.1385 80.1906 0.00298474 -0.00322674 0.00102016 59
17530 14 C 43.6945 15.1605 78.8156 -0.00265427 0.00125284 -0.000783832 59
17531 15 C 43.1164 16.1682 78.0801 0.0018642 -0.00226753 0.00585379 59
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17533 17 C 41.6472 18.2868 78.0445 -0.00611209 -0.00574256 -0.00323376 59
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17538 22 C 41.655 18.105 76.5668 0.0029243 0.0021484 0.00115783 59
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17542 26 C 40.5281 17.9207 71.8541 0.00410811 0.000951757 0.00155018 59
17543 27 C 40.5941 16.5624 71.4998 -0.000409742 -0.000466473 0.00403233 59
17544 28 C 40.9173 15.6365 72.4856 -0.00134056 0.00567847 -0.000464608 59
17545 29 C 41.2948 16.0209 73.7736 -0.00387462 -0.00341687 0.00026407 59
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17581 65 C 40.52 14.7915 52.1173 0.000816269 -0.000804795 0.000875319 59
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17630 114 C 44.919 24.0464 92.5297 0.00227868 0.00246883 0.00306733 59
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19028 2 C 16.3225 42.1921 78.7091 -0.0005978 5.90469e-05 0.000978803 64
19029 3 C 15.7423 41.0648 78.1248 -0.00189301 -0.00119025 -0.00335455 64
19030 4 C 15.1071 40.1027 78.8853 0.000147534 -0.00407293 -0.00309649 64
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19033 7 C 10.4923 38.9709 79.8882 4.01974e-05 0.000923658 0.00037103 64
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19040 14 C 16.3896 35.6004 79.1661 0.00136006 -0.00153698 0.0021713 64
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19344 16 C 19.134 30.8086 78.7266 -0.000326504 -0.00138365 0.00028667 65
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19349 21 C 19.6915 29.9802 80.9636 -0.0014843 0.000849168 -0.00122857 65
19350 22 C 18.3911 31.6273 76.4627 -0.00105185 -0.000968089 -0.00259353 65
19351 23 C 18.304 31.2456 75.3051 0.000547931 0.0010194 -0.0032321 65
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19353 25 C 17.5106 29.471 73.8633 0.000714791 0.00451537 0.00482736 65
19354 26 C 17.0643 29.0524 72.6085 0.00309003 -0.0059552 0.00185697 65
19355 27 C 17.0697 29.9714 71.541 0.00264682 -0.00657635 0.00296797 65
19356 28 C 17.6393 31.2423 71.7158 0.00592833 0.000771737 0.000351155 65
19357 29 C 18.1748 31.621 72.9572 0.00506905 -0.00596795 -0.00131397 65
19358 30 C 16.6425 29.6436 70.2119 0.00372465 -0.00174709 0.00355591 65
19359 31 C 16.3973 29.4236 69.032 -0.00484703 0.00101162 -0.000292237 65
19360 32 C 14.2412 25.9353 67.2314 -0.00506461 0.00395314 -0.00217013 65
19361 33 C 14.3007 25.8178 65.8235 0.00161132 -0.000541753 0.00028689 65
19362 34 C 14.9115 26.8158 65.0417 -0.00436336 -0.000195759 0.00379614 65
19363 35 C 15.5181 27.9185 65.6458 0.00136817 -0.00463998 -0.00221823 65
19364 36 C 15.5249 28.0379 67.0405 0.00224757 0.000214059 -0.00287628 65
19365 37 C 14.8396 27.0672 67.8341 0.000138386 -0.00152439 -0.00295613 65
19366 38 C 16.2856 29.252 67.6011 -0.00247059 -0.00493689 0.00324451 65
19367 39 C 20.0863 28.9129 66.8064 0.00138861 -0.0036453 -0.000381066 65
19368 40 C 20.051 28.9652 65.4156 0.00227957 -0.00139443 0.000850167 65
19369 41 C 18.8427 29.1756 64.7537 -0.000135578 -0.000752716 -0.00638859 65
19370 42 C 17.6361 29.1507 65.4907 0.00157718 0.00320841 -0.00166312 65
19371 43 C 17.686 29.1586 66.9225 0.00289476 -0.000746488 0.00184686 65
19372 44 C 18.9457 29.0593 67.5672 0.00254483 0.00527192 0.00156118 65
19373 45 C 14.2563 32.4945 66.8711 -0.0015298 0.00256439 -0.000551593 65
19374 46 C 14.2374 32.4295 65.4623 0.000351554 0.00621027 -0.000936994 65
19375 47 C 14.8226 31.3145 64.8079 -0.000960691 0.0037178 -0.000320866 65
19376 48 C 15.4636 30.3312 65.5452 0.00084918 -0.00328269 -0.000819444 65
19377 49 C 16.1936 29.0947 64.9428 -0.00324187 -0.00341033 0.000122854 65
19378 50 C 15.5428 30.4377 66.9422 -0.00712509 0.00387366 -0.00305222 65
19379 51 C 14.9612 31.5412 67.6057 0.00132739 -0.00538348 -0.000310991 65
19380 52 O 18.7915 29.1076 63.3847 -0.00258021 0.00199655 -0.00137221 65
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19382 54 O 14.7312 31.2256 63.4828 -0.00255183 0.000858308 0.000286591 65
19383 55 C 18.2851 32.2442 80.5562 0.00104114 -0.00538585 -0.00222797 65
19384 56 C 19.0733 30.9682 80.1262 0.0061172 -0.00515539 0.000878623 65
19385 57 C 18.5523 30.2374 62.5239 0.000689272 0.00266001 0.00388533 65
19386 58 C 18.2106 29.6392 61.1686 -0.00151387 -0.00232114 -0.00443923 65
19387 59 C 16.7985 29.0687 61.0874 -0.00204742 0.000493837 0.000635988 65
19388 60 C 16.4515 28.2103 59.8524 -0.00155644 -0.0033404 0.000894279 65
19389 61 C 16.8867 28.8881 58.5581 -0.00160531 -0.0019545 0.00083139 65
19390 62 C 16.4718 28.0474 57.3044 -0.00298228 -0.00305303 0.000534086 65
19391 63 C 16.7734 28.9033 56.0784 0.00172458 -0.0035105 0.000147016 65
19392 64 C 16.2786 28.2021 54.7936 -0.00179774 0.0016891 -0.00333101 65
19393 65 C 16.5723 29.0612 53.5038 0.0026536 0.00250118 -0.00449208 65
19394 66 C 16.0377 28.2848 52.2796 -0.00267387 0.00357563 -0.00204089 65
19395 67 C 16.3454 29.0742 50.9935 0.00133971 -0.00162702 0.000976866 65
19396 68 C 15.9022 28.2948 49.7915 -0.00407158 0.00110821 0.00122614 65
19397 69 F 16.4863 27.8385 72.4514 0.00198922 -0.00175633 6.3024e-05 65
19398 70 C 16.0719 25.6685 63.304 7.19168e-05 0.00130146 -0.00942876 65
19399 71 C 15.7358 25.092 61.9268 0.00139284 0.000874599 -7.78812e-06 65
19400 72 C 16.8455 24.1999 61.3424 0.000915296 -0.00409197 0.00316671 65
19401 73 C 16.5193 23.5291 59.9928 -0.00258607 0.00464802 0.000890871 65
19402 74 C 16.3767 24.4957 58.7847 0.0019458 0.00382738 0.0021737 65
19403 75 C 16.1264 23.7066 57.4387 -0.0018805 -0.000428665 -0.00268605 65
19404 76 C 16.157 24.6106 56.1745 -0.000362073 -0.000219372 -0.00124892 65
19405 77 C 16.0154 23.7722 54.8723 -0.00292833 -0.00243557 -0.00169975 65
19406 78 C 16.1581 24.7034 53.6481 0.00308834 -0.00194534 0.00157274 65
19407 79 C 16.2283 23.886 52.3277 0.00244061 0.00166775 0.00227682 65
19408 80 C 16.5263 24.7555 51.1088 0.00123882 0.00348379 0.00228961 65
19409 81 C 16.8112 23.9901 49.8328 0.00214403 0.00264175 0.00182316 65
19410 82 C 13.4093 31.1269 62.9558 0.00140444 -0.000420211 -2.22045e-05 65
19411 83 C 13.36 30.137 61.7754 -0.000784277 -0.000177711 -0.00022591 65
19412 84 C 13.5152 30.9507 60.4604 -0.00207441 -0.00353284 -0.00026178 65
19413 85 C 13.1188 30.1266 59.2237 -0.00209565 -0.00205651 -0.00254481 65
19414 86 C 12.8078 31.1056 58.0553 6.48948e-05 0.00284591 0.00142198 65
19415 87 C 12.8137 30.2732 56.7199 0.00135864 -0.00403413 -0.00361367 65
19416 88 C 12.5564 31.1652 55.4826 -0.00322256 0.0023987 -0.00107499 65
19417 89 C 12.6948 30.3498 54.2155 0.00296805 0.00113842 0.00327128 65
19418 90 C 12.7289 31.2552 52.9243 -0.00302606 -0.00138881 0.0011351 65
19419 91 C 12.737 30.4394 51.6197 7.99983e-05 0.00245881 0.000223062 65
19420 92 C 12.6794 31.3174 50.3561 -0.00243778 -0.0027366 -0.00201923 65
19421 93 C 12.9317 30.5824 49.02 0.00244792 0.00153101 0.000221204 65
19422 94 C 14.196 32.817 82.4599 -8.87833e-05 -0.00445143 -0.00026035 65
19423 95 C 14.1437 32.455 83.9353 -0.00250685 -0.00241832 -0.00144935 65
19424 96 C 12.7051 32.4996 84.4803 -0.000509433 0.000638338 -0.00420763 65
19425 97 C 12.5636 32.0782 85.9627 0.00489274 0.00065154 0.00241923 65
19426 98 C 13.3103 33.0319 86.9073 0.00134709 -0.00279977 -0.00362177 65
19427 99 C 12.9561 32.6492 88.337 -0.00202824 -0.00344948 -0.000453685 65
19428 100 C 13.8375 33.213 89.4437 0.00238174 3.83259e-05 0.000546146 65
19429 101 C 13.3624 32.6138 90.7917 -0.0001344 0.00149771 -0.000702453 65
19430 102 C 14.2603 33.0453 91.9523 0.00135486 6.75588e-05 0.000388461 65
19431 103 C 13.7558 32.4583 93.2881 0.00284461 -0.00287739 -0.0034869 65
19432 104 C 14.5333 32.9759 94.5475 0.00111812 -0.000532779 -0.00034428 65
19433 105 C 13.9768 32.322 95.8531 0.00744886 0.00113566 -0.00301339 65
19434 106 C 20.2204 36.0498 82.0923 -0.000684437 -0.00244029 -0.00245147 65
19435 107 C 20.3916 36.2 83.597 0.00270414 0.00189247 0.00031894 65
19436 108 C 21.1647 37.4399 83.984 0.00131742 0.00109399 0.000550329 65
19437 109 C 20.9702 37.9155 85.4051 0.000938404 -0.000208112 -0.0020623 65
19438 110 C 21.5889 37.0825 86.5357 0.000135718 0.000997917 0.00395725 65
19439 111 C 21.2412 37.7673 87.8717 0.00479714 -5.74682e-05 -0.00153949 65
19440 112 C 21.6667 37.0394 89.122 0.000981888 0.00389952 0.00203494 65
19441 113 C 21.2323 37.7843 90.4189 0.00187777 0.000290638 0.00334296 65
19442 114 C 21.6139 36.9879 91.6824 0.00179966 -0.00361816 0.00150772 65
19443 115 C 21.0305 37.589 92.9817 -5.35038e-05 0.000254707 -0.000138077 65
19444 116 C 21.4666 36.8803 94.3009 -0.00218766 0.00271649 -0.000546764 65
19445 117 C 20.8514 37.5693 95.5258 -0.000865899 -0.00390875 -0.00282727 65
19446 118 C 20.3542 29.0749 83.1173 -0.00389972 0.00312719 0.00293294 65
19447 119 C 20.3868 29.2456 84.635 -0.00572544 -0.000460488 0.00366464 65
19448 120 C 20.7899 27.9471 85.4231 0.00320434 -0.000507903 -0.000527816 65
19449 121 C 20.8819 28.1366 86.9484 -0.00389937 0.0054427 -5.56243e-05 65
19450 122 C 19.553 28.5083 87.6541 -0.00375067 -0.00104476 -0.000142231 65
19451 123 C 19.4155 27.9419 89.0666 0.00380338 -0.000515214 -0.00115576 65
19452 124 C 20.3732 28.5223 90.131 -0.000919978 -0.00133898 -0.00708119 65
19453 125 C 20.0264 27.8669 91.4838 0.00135948 0.00239053 0.00456093 65
19454 126 C 20.8406 28.4417 92.6501 0.00161166 0.00687862 -0.00327753 65
19455 127 C 20.4134 27.7088 93.9418 -0.00185984 0.000977193 0.00178174 65
19456 128 C 21.1189 28.2919 95.2063 0.000271136 0.00202813 0.00107397 65
19457 129 C 21.1618 27.2503 96.3413 -0.000346244 -0.00100413 0.00459409 65
19458 130 F 17.4923 28.6016 74.9228 0.00454365 -0.00264115 0.00142825 65
19459 131 H 20.4838 36.4458 79.7285 0.00409006 0.00141696 -0.00837771 65
19460 132 H 20.6175 35.9563 77.3631 -0.00477936 0.000459912 -0.00382499 65
19461 133 H 19.5829 33.9329 76.3849 0.0106864 0.00418616 0.00244124 65
19462 134 H 13.4195 32.2087 80.0092 -0.000306155 -0.00924563 0.015659 65
19463 135 H 13.6771 31.8767 77.6065 -0.00316654 0.0123876 0.00300957 65
19464 136 H 15.9316 31.7265 76.6507 0.00202333 0.00923918 0.00372064 65
19465 137 H 20.8306 28.0916 80.8931 0.0208486 0.00136436 -0.0124907 65
19466 138 H 20.8397 27.9362 78.453 0.00647626 0.00394505 -0.00434421 65
19467 139 H 19.9128 29.618 77.0662 0.00162258 0.0144088 -0.00537943 65
19468 140 H 17.6537 31.927 70.873 0.0164207 -0.00410128 -0.00341846 65
19469 141 H 18.6876 32.5731 73.0571 -0.00642319 0.000501891 -0.00412153 65
19470 142 H 13.7279 25.2269 67.8748 0.000375415 0.00422015 0.002474 65
19471 143 H 13.8365 24.9711 65.3265 -0.00799862 0.00835912 -0.0059167 65
19472 144 H 14.7726 27.1337 68.916 -0.00338994 0.00471816 -0.00356466 65
19473 145 H 21.019 28.7332 67.3328 0.000503228 0.00679057 0.00474232 65
19474 146 H 20.9742 28.8533 64.8545 0.000814414 0.00208688 -0.0022697 65
19475 147 H 19.0758 29.0736 68.6453 0.00248675 0.00476438 0.00157458 65
19476 148 H 13.8228 33.3464 67.3867 0.00611145 0.0051016 0.00169799 65
19477 149 H 13.6484 33.1336 64.882 0.00149563 0.003809 -0.00502138 65
19478 150 H 16.0432 29.0197 63.8587 0.00714616 0.00065855 -0.00157433 65
19479 151 H 15.0301 31.6 68.6879 -0.00605197 0.00582008 -0.000474983 65
19480 152 H 18.2445 32.425 81.6374 -0.0142378 -0.00988003 -0.00204814 65
19481 153 H 17.7468 30.8783 62.903 -0.00617547 -0.00303843 -0.00110155 65
19482 154 H 19.4598 30.8497 62.4536 0.000471028 0.00390911 0.0118937 65
19483 155 H 18.9538 28.8728 60.9164 -0.000387586 -0.00359469 0.00277244 65
19484 156 H 18.3202 30.3969 60.3829 0.00114885 -0.00357562 -0.00528229 65
19485 157 H 16.0489 29.8515 61.2565 -0.00271759 0.0010305 -0.00485919 65
19486 158 H 16.7669 28.4173 61.9695 -0.00843828 -0.0063984 -0.00471641 65
19487 159 H 15.3901 27.9382 59.7998 -0.000164433 -0.00809421 -0.00276226 65
19488 160 H 16.9983 27.2688 59.9867 0.00853006 0.00316052 0.0055544 65
19489 161 H 17.9815 28.9572 58.5696 -0.00276357 0.0160337 0.000758622 65
19490 162 H 16.4415 29.8895 58.5093 -0.00585394 -0.00394587 -0.00126079 65
19491 163 H 15.4077 27.8024 57.4102 -0.00426585 0.000521401 -0.00416236 65
19492 164 H 17.0987 27.148 57.2664 0.00717719 0.00453077 -0.0119279 65
19493 165 H 17.8401 29.1581 56.0563 0.000722619 0.000743981 0.000636606 65
19494 166 H 16.235 29.8544 56.1732 0.00663088 0.000106522 -0.00828651 65
19495 167 H 15.208 27.9746 54.8684 -0.00178407 0.00439138 0.00500957 65
19496 168 H 16.7789 27.2367 54.648 -0.0056459 -0.00077151 -0.000206954 65
19497 169 H 17.643 29.2985 53.4754 0.00431199 -0.00408401 0.00261929 65
19498 170 H 16.092 30.0368 53.649 -0.00762594 -0.00306149 -0.00116418 65
19499 171 H 14.9532 28.1277 52.3309 -0.00207413 0.00139929 0.00377938 65
19500 172 H 16.5094 27.2945 52.2634 -0.0142388 -0.00202242 0.00335153 65
19501 173 H 17.4096 29.3012 50.8538 0.000236465 -0.006169 -0.014913 65
19502 174 H 15.8496 30.0505 51.0587 0.00220818 -0.00102444 -0.00147233 65
19503 175 H 16.0919 28.8483 48.8636 -0.0122162 0.00294749 0.000661201 65
19504 176 H 14.8296 28.066 49.8169 -0.00595782 0.00985708 0.000508722 65
19505 177 H 16.4931 27.376 49.6915 -0.00432021 0.00038352 0.00648748 65
19506 178 H 17.0251 26.2025 63.206 0.00657715 -0.0105311 -0.0107161 65
19507 179 H 16.1442 24.847 64.0273 0.00902466 0.00788732 -0.00285872 65
19508 180 H 14.7842 24.5476 61.964 0.00308375 -0.000883891 0.0170494 65
19509 181 H 15.5298 25.9307 61.2504 -0.00791662 0.00639915 0.00964908 65
19510 182 H 17.7521 24.8076 61.2322 -0.00177162 0.000610301 0.00697249 65
19511 183 H 17.0914 23.4138 62.067 0.000818209 0.00148151 0.00924486 65
19512 184 H 17.345 22.8413 59.7724 -0.000825155 0.0072337 -0.000587241 65
19513 185 H 15.5924 22.9526 60.1023 -0.00345663 0.00474097 -0.00601952 65
19514 186 H 15.5238 25.1737 58.912 0.0135501 0.0183184 0.00235662 65
19515 187 H 17.3282 25.0336 58.6908 0.00119195 0.00413633 -0.00370432 65
19516 188 H 16.8849 22.9284 57.2882 -0.0104729 -0.00964405 0.00170694 65
19517 189 H 15.1306 23.2473 57.4673 -0.00822959 0.0128786 -0.00901229 65
19518 190 H 15.3951 25.3956 56.2559 -0.00579115 -0.00616091 0.00520274 65
19519 191 H 17.1125 25.1476 56.1286 0.0018808 -0.00302073 0.0128678 65
19520 192 H 16.7894 22.9951 54.8513 -0.000155804 0.000242975 0.00148493 65
19521 193 H 15.0838 23.1937 54.9009 -0.00651468 0.00383346 0.00836234 65
19522 194 H 15.2975 25.3768 53.5514 0.00698454 0.00304443 0.00175045 65
19523 195 H 17.0855 25.2764 53.7706 0.00835935 -0.010218 0.000416864 65
19524 196 H 17.0352 23.143 52.3455 0.00167607 0.000818964 0.00148773 65
19525 197 H 15.2468 23.4285 52.1521 0.00812505 -0.00846382 -0.00296865 65
19526 198 H 15.6543 25.4012 50.9467 -0.0108832 -0.00706609 0.0253905 65
19527 199 H 17.371 25.4202 51.3279 0.00725136 -0.00354451 0.000398962 65
19528 200 H 16.8883 24.6737 48.9783 0.00901738 -0.00772392 -0.00585838 65
19529 201 H 17.7586 23.446 49.9325 0.000621178 0.000133864 0.00262413 65
19530 202 H 16.0455 23.251 49.5667 0.0110996 -0.00692013 0.0025846 65
19531 203 H 12.7524 30.7607 63.7545 -2.62485e-05 -0.000718146 -0.00133801 65
19532 204 H 13.0602 32.1214 62.6518 0.00593687 0.0017387 0.00182659 65
19533 205 H 14.0987 29.3332 61.8835 -0.00577169 -0.00623477 -0.0112282 65
19534 206 H 12.3715 29.6629 61.7381 0.00176033 -0.00543608 -0.000603019 65
19535 207 H 12.8771 31.8427 60.4369 0.00517444 0.00185625 0.00787011 65
19536 208 H 14.5385 31.3352 60.3677 -0.0039061 0.00420959 0.0115525 65
19537 209 H 13.9888 29.5099 58.9662 -0.000577559 -0.00100467 5.91676e-05 65
19538 210 H 12.2836 29.4435 59.4219 -0.00723539 0.00410729 -0.00300489 65
19539 211 H 11.7986 31.4965 58.2347 0.00043862 0.0124267 -0.0175175 65
19540 212 H 13.5028 31.9444 57.9257 0.00717933 -0.00356615 -0.00198306 65
19541 213 H 13.7653 29.7286 56.6834 0.0111944 0.012601 0.00439399 65
19542 214 H 12.0477 29.4998 56.8559 -0.00118728 0.000726833 0.00938632 65
19543 215 H 11.5539 31.604 55.5579 -0.00506472 -0.0032265 0.00723406 65
19544 216 H 13.2626 32.0031 55.4304 -0.00861711 0.00787847 0.0141322 65
19545 217 H 13.5886 29.7148 54.2507 0.00462168 0.00410213 0.0144031 65
19546 218 H 11.8557 29.647 54.1418 0.00718194 -0.00511642 0.015031 65
19547 219 H 11.8437 31.8982 53.004 0.00386754 0.00813789 0.000745842 65
19548 220 H 13.6131 31.8944 53.039 0.00286314 -0.0098343 0.00288159 65
19549 221 H 13.5919 29.7522 51.6321 -0.0019356 5.43269e-05 0.00672051 65
19550 222 H 11.849 29.802 51.5267 -0.00295075 0.00826564 -0.0109487 65
19551 223 H 11.7077 31.8243 50.3084 -0.00104769 -0.00123926 -0.0144703 65
19552 224 H 13.4318 32.1129 50.4227 -0.00680967 0.000592289 0.00745996 65
19553 225 H 13.9657 30.2208 48.9599 0.00365377 0.00588348 -0.00511611 65
19554 226 H 12.2508 29.7248 48.9548 0.00720666 -0.00209277 -0.00179195 65
19555 227 H 12.7212 31.2865 48.2056 0.0109075 0.0028855 -0.000791974 65
19556 228 H 13.9947 33.8897 82.349 -0.0194741 -0.00921757 -0.0112609 65
19557 229 H 13.3705 32.26 81.9998 0.00239314 -0.00692454 -0.0017201 65
19558 230 H 14.3906 31.3958 84.0789 -0.00941394 -0.00306692 0.00585639 65
19559 231 H 14.8066 33.069 84.5574 0.00292738 0.00173546 -0.0113758 65
19560 232 H 12.3665 33.536 84.3588 0.0101499 0.00426092 -0.00319985 65
19561 233 H 12.0913 31.8517 83.8424 -0.000996614 0.00148722 -0.00459969 65
19562 234 H 11.5111 32.0964 86.2716 0.00495618 0.0101936 0.00210701 65
19563 235 H 12.9584 31.0599 86.0662 0.000580442 -0.00126531 -8.80563e-06 65
19564 236 H 14.3921 32.9805 86.733 0.00306752 0.00167446 0.00573608 65
19565 237 H 12.9971 34.071 86.7476 0.00286823 -0.000427174 0.00878573 65
19566 238 H 11.9035 32.8844 88.5373 0.00414726 0.0162303 0.00881931 65
19567 239 H 13.0373 31.558 88.4156 -0.0107825 -0.00375638 0.00434515 65
19568 240 H 14.8825 32.945 89.2444 -0.00160148 -0.0087961 -0.00842515 65
19569 241 H 13.8339 34.3081 89.5076 -0.00649917 6.12609e-05 -0.000600989 65
19570 242 H 12.3141 32.8499 91.0122 0.00078546 0.00350574 0.00151278 65
19571 243 H 13.3809 31.5231 90.6749 -0.000641665 -0.000227333 0.0155519 65
19572 244 H 15.2963 32.7362 91.7664 0.000653277 -0.00062065 -0.00236911 65
19573 245 H 14.299 34.14 92.0111 0.00396988 0.000600613 -0.0112262 65
19574 246 H 12.6885 32.6842 93.4027 0.0052402 0.0102619 -0.00718433 65
19575 247 H 13.7853 31.3617 93.2811 -0.00668505 -0.00330617 0.0176483 65
19576 248 H 15.6068 32.7762 94.4423 0.00400965 0.0133269 0.00290014 65
19577 249 H 14.389 34.0633 94.5349 0.0144191 0.00139052 0.0162566 65
19578 250 H 14.3063 31.2813 95.9614 0.00389692 -0.00138693 -0.0165585 65
19579 251 H 14.4499 32.8673 96.6791 0.00607183 0.000600896 -0.00187673 65
19580 252 H 12.8821 32.3643 95.9096 0.00714241 0.000172057 -0.00819556 65
19581 253 H 21.243 35.9695 81.7034 0.000778869 -0.0120688 0.00335329 65
19582 254 H 19.7266 36.9364 81.6757 -0.00628989 -0.0137631 -0.0199275 65
19583 255 H 19.4209 36.1188 84.1015 0.00347428 -0.00690477 0.000395373 65
19584 256 H 21.0297 35.3691 83.9224 0.00249895 0.00877644 0.0182886 65
19585 257 H 22.2196 37.1897 83.8164 0.000922086 -0.00122184 0.00148934 65
19586 258 H 20.9023 38.2557 83.2992 -0.00545059 0.000187606 0.00205818 65
19587 259 H 21.4059 38.9149 85.5265 -0.00552301 0.00185516 0.00414777 65
19588 260 H 19.8993 37.9291 85.6428 0.00333133 -0.00320577 0.00899249 65
19589 261 H 21.1352 36.0839 86.5182 -0.00940669 0.00512898 0.0154296 65
19590 262 H 22.6751 36.9397 86.4805 0.000802211 0.00598661 0.00429496 65
19591 263 H 21.8156 38.7019 87.8814 -0.00524817 0.00597187 0.00867941 65
19592 264 H 20.1614 37.9466 87.9438 0.00576003 0.00360281 0.0037625 65
19593 265 H 21.2519 36.0239 89.1325 -0.00968028 0.00830936 0.00932417 65
19594 266 H 22.7632 37.021 89.1498 0.00114987 -0.00246676 -0.0097625 65
19595 267 H 21.6419 38.802 90.4162 0.00162677 0.0003909 0.00252654 65
19596 268 H 20.144 37.901 90.3459 -0.000616923 -0.0261474 -0.00204392 65
19597 269 H 21.3072 35.9362 91.6253 -0.0094723 0.000190466 -0.00766991 65
19598 270 H 22.7064 36.9404 91.7701 0.00104663 0.00108065 0.0134043 65
19599 271 H 21.2811 38.6562 93.0249 -0.00118758 0.000529162 -0.000309801 65
19600 272 H 19.9343 37.5758 92.9411 -0.000364363 0.0161777 0.00252433 65
19601 273 H 21.1701 35.8242 94.3008 -0.0165314 0.00675182 -0.00861517 65
19602 274 H 22.5529 36.9058 94.4514 -0.00354994 -0.00278394 0.0102839 65
19603 275 H 21.1562 38.6188 95.6211 0.000256276 -0.00462328 0.00140158 65
19604 276 H 19.7595 37.6286 95.4381 -0.000830878 -0.00663374 -0.00504651 65
19605 277 H 21.0535 37.0291 96.4589 0.00588947 -0.00285697 -0.00369219 65
19606 278 H 19.685 28.2217 82.951 -0.0101477 0.00886887 -0.00139923 65
19607 279 H 21.3329 28.8282 82.6875 -0.00166229 0.0108666 0.00357665 65
19608 280 H 19.3727 29.4979 84.9686 -0.00805008 0.000269732 -0.00394597 65
19609 281 H 21.0788 30.0528 84.9051 -0.00488381 -0.00373206 0.0113042 65
19610 282 H 21.7646 27.6138 85.046 0.00995819 0.00487295 0.0122114 65
19611 283 H 20.1273 27.1052 85.1871 0.0107171 -0.00562437 -0.00340605 65
19612 284 H 21.6601 28.8583 87.2257 0.0063723 -0.00822417 0.00680389 65
19613 285 H 21.2591 27.1985 87.3739 0.00970318 0.00783878 -0.00681237 65
19614 286 H 18.7636 28.0333 87.0584 -0.0120139 0.0120437 0.000453358 65
19615 287 H 19.4494 29.5963 87.7485 0.00712872 -0.000440333 0.00498865 65
19616 288 H 19.6072 26.8618 89.0714 0.0193898 0.00222174 -0.00903541 65
19617 289 H 18.3768 28.0549 89.401 0.0018609 -0.00199049 -0.00667541 65
19618 290 H 20.1618 29.5958 90.2092 -0.00505479 -0.00179078 -0.0119884 65
19619 291 H 21.4218 28.3622 89.851 -0.000717175 -0.00114382 -0.00643199 65
19620 292 H 20.2543 26.7976 91.3939 -0.0173942 -0.00148219 0.00324961 65
19621 293 H 18.958 27.9552 91.7167 -0.00107973 -0.00234469 -0.00486059 65
19622 294 H 20.7368 29.529 92.7516 0.00260589 0.00688127 -0.00228148 65
19623 295 H 21.8921 28.1972 92.4553 0.0024467 0.00711174 0.000950081 65
19624 296 H 20.5887 26.6265 93.9053 0.0167593 0.0037525 0.00905378 65
19625 297 H 19.3238 27.784 94.0442 -0.005977 -0.0172503 -0.0282369 65
19626 298 H 20.6172 29.1968 95.5707 -0.00043318 0.000485349 0.0039304 65
19627 299 H 22.0968 28.679 94.8945 -0.00470825 -0.00533906 -0.0238331 65
19628 300 H 21.7219 26.3305 96.1322 0.0147707 0.00764596 0.00721736 65
19629 301 H 20.1701 26.8985 96.6515 0.00271232 -0.0105067 0.00362981 65
19630 302 H 21.5644 27.7768 97.2154 0.00509857 0.00925853 -0.0040868 65
19631 1 C 24.0657 42.2437 79.0915 0.00163497 -0.00180643 -0.00134437 66
19632 2 C 24.0314 42.1412 77.7004 -0.00100337 0.00126084 -0.00291049 66
19633 3 C 23.4908 40.9958 77.0862 0.00290182 0.00482877 -4.02234e-05 66
19634 4 C 22.8845 40.0178 77.9299 -0.00151817 0.000460966 -0.002195 66
19635 5 C 22.881 40.1257 79.3463 0.000767415 -0.00108995 -0.00286365 66
19636 6 C 23.4352 41.2976 79.9059 -0.00668787 0.00571286 -0.00264442 66
19637 7 C 18.405 39.0773 79.3296 -0.00140911 0.00243547 -0.00152615 66
19638 8 C 18.4448 38.8876 77.933 -0.00126335 -0.00223563 -0.00323726 66
19639 9 C 19.6412 38.7434 77.2751 -0.00584674 0.00103118 -0.00105371 66
19640 10 C 20.8276 38.7783 78.0461 -0.000560788 -0.00122904 0.0028369 66
19641 11 C 20.7684 38.9429 79.4385 -0.00355037 -0.000293893 0.00183742 66
19642 12 C 19.5581 39.1241 80.114 0.00164889 -0.000745108 0.00673367 66
19643 13 C 24.2108 35.691 79.6365 -0.00224702 -0.00234987 -0.00023458 66
19644 14 C 24.2234 35.5966 78.2379 0.0013887 -0.000304618 -0.000366388 66
19645 15 C 23.546 36.5294 77.4922 0.00282652 -0.00119437 -0.00212205 66
19646 16 C 22.9432 37.6 78.1714 0.00119359 0.000473136 -0.000529963 66
19647 17 C 22.236 38.7432 77.4407 0.00218351 -0.00314495 0.000163246 66
19648 18 O 23.5852 36.6407 81.8215 0.000592785 -0.00460961 -0.000296808 66
19649 19 O 19.4571 39.2976 81.5087 0.000363887 -0.000385519 -0.000604285 66
19650 20 O 23.4286 41.4165 81.3048 -0.003796 -0.0019482 0.00245049 66
19651 21 C 23.5429 36.6815 80.377 -0.000936905 -0.00224824 0.000239658 66
19652 22 C 22.22 38.5985 75.9748 -0.00195357 -0.00292481 -0.00162311 66
19653 23 C 22.0733 38.355 74.7874 -0.00440529 0.000352746 0.00128682 66
19654 24 C 21.7505 37.9723 73.4647 0.00274112 0.00347193 0.000170575 66
19655 25 C 20.5455 38.4066 72.9076 -0.00181683 0.000439148 0.00445888 66
19656 26 C 20.1091 37.8491 71.7143 0.00195449 -0.00118448 -0.000927476 66
19657 27 C 20.8699 36.8732 71.057 0.00014048 -0.00195939 0.00210263 66
19658 28 C 22.1034 36.4805 71.5699 0.00585721 -0.00204137 -0.00271375 66
19659 29 C 22.568 37.0213 72.7968 0.00256845 0.00284645 0.00268162 66
19660 30 C 20.5061 36.4168 69.773 0.00131205 0.000892846 -0.00298628 66
19661 31 C 20.2985 36.0745 68.6299 0.00197245 0.00189981 -0.00515134 66
19662 32 C 18.3699 32.572 66.8172 0.00231271 -0.00409299 0.0030141 66
19663 33 C 18.433 32.4657 65.4303 -0.00282252 0.00282437 0.00158355 66
19664 34 C 18.9872 33.4767 64.618 -0.00132922 -0.0030709 0.000294274 66
19665 35 C 19.4261 34.6505 65.23 -0.00199125 0.00189682 0.00463633 66
19666 36 C 19.4395 34.7058 66.6725 0.00171319 -0.00251013 -0.00239661 66
19667 37 C 18.9285 33.645 67.4596 0.00158774 0.000382772 -0.0014287 66
19668 38 C 20.2067 35.9366 67.1869 0.00249897 0.000519273 -0.00155069 66
19669 39 C 23.9979 36.0202 66.3428 0.000893734 -0.000231264 -0.00230805 66
19670 40 C 23.9066 35.826 64.9772 0.00112596 0.00732007 -0.00582531 66
19671 41 C 22.6909 35.7147 64.3343 0.00179344 -0.00196589 0.0010551 66
19672 42 C 21.5246 35.8211 65.0965 0.00169937 -0.00355202 0.00102767 66
19673 43 C 21.5788 35.8878 66.5056 0.002101 -0.00438803 0.00205662 66
19674 44 C 22.817 36.034 67.1338 -0.00302337 0.000390367 0.00051518 66
19675 45 C 18.427 39.3416 66.5082 -0.000541929 -0.00176522 0.00181488 66
19676 46 C 18.4143 39.3279 65.141 -2.25937e-05 -0.00426343 0.000346328 66
19677 47 C 18.881 38.242 64.3892 0.00667344 -0.00398496 -0.00254073 66
19678 48 C 19.4533 37.1569 65.1002 0.00505827 -0.00563763 3.84301e-05 66
19679 49 C 20.075 35.861 64.5247 0.0028377 0.000581855 0.00109543 66
19680 50 C 19.4805 37.138 66.5006 -0.0028794 -0.002363 -0.00255185 66
19681 51 C 18.8839 38.2226 67.195 0.000358495 0.000413579 -0.00126673 66
19682 52 O 22.5901 35.4791 62.9669 -0.000573488 0.000774352 0.00109326 66
19683 53 O 18.9741 33.3786 63.2613 -0.00753786 0.000801818 -0.00304755 66
19684 54 O 18.8245 38.2867 63.0431 -0.00167489 -0.000344936 0.00357877 66
19685 55 C 22.1754 38.9596 80.1008 -0.00322716 0.0030026 -0.00105242 66
19686 56 C 22.9353 37.7006 79.601 0.00240063 -0.00351475 8.50249e-05 66
19687 57 C 22.2562 34.1028 62.6821 -0.00212985 -0.000581367 -0.0027871 66
19688 58 C 21.6055 33.9315 61.2957 0.000633464 0.00162851 0.00384526 66
19689 59 C 21.3404 35.244 60.5247 -0.00238164 0.00117032 -0.0023016 66
19690 60 C 21.1226 34.8878 59.0226 -0.000830734 0.00227662 -0.00214668 66
19691 61 C 20.5771 36.0423 58.2016 -0.0014797 0.00265617 -0.00289163 66
19692 62 C 20.2667 35.5789 56.7527 0.00300635 0.00043286 -0.00354602 66
19693 63 C 21.3779 34.7532 56.0187 -0.0020107 0.00189112 0.000113446 66
19694 64 C 21.1042 34.5538 54.5299 -0.00153948 0.00277342 -0.00133465 66
19695 65 C 21.368 35.7905 53.6273 -0.00143325 0.00073053 0.00149755 66
19696 66 C 21.3504 35.4997 52.1099 0.00126071 0.00484497 -0.00257129 66
19697 67 C 19.936 35.5627 51.5337 -0.00573653 -0.00189888 -0.00416285 66
19698 68 C 19.867 35.2461 50.0246 -0.00349405 -0.00413573 -0.00246379 66
19699 69 F 18.9016 38.241 71.2359 -0.00159797 0.00167512 -0.00156216 66
19700 70 C 17.7627 33.7559 62.6252 -0.00384769 0.00053614 0.000740558 66
19701 71 C 17.7946 33.2938 61.1578 0.00120916 -0.00203723 0.00253732 66
19702 72 C 17.5016 34.4276 60.1352 -0.0010501 -0.00177731 0.00138845 66
19703 73 C 17.4907 33.9049 58.6684 0.000727865 0.00126037 -0.000783551 66
19704 74 C 16.5963 32.6859 58.4013 0.000754305 -0.000753602 0.00434089 66
19705 75 C 15.9389 32.6255 56.9893 0.000843422 -0.00115801 -1.03979e-05 66
19706 76 C 16.9488 32.6727 55.8356 -0.00247147 -0.00190517 0.00420714 66
19707 77 C 16.2218 32.8429 54.4929 -0.000608666 0.000102383 0.000385241 66
19708 78 C 17.177 32.78 53.2584 0.00203163 0.000483553 0.00405595 66
19709 79 C 16.3403 32.9597 51.9488 -0.000299522 0.000816555 6.46533e-05 66
19710 80 C 17.127 32.7402 50.6737 -0.000117346 -0.00169194 0.00104237 66
19711 81 C 16.2832 33.0939 49.4427 -0.00322137 -0.00115872 -0.00258889 66
19712 82 C 20.0429 38.5065 62.4084 0.00335133 -0.000364292 0.000483289 66
19713 83 C 19.9818 38.2977 60.8932 -0.000981875 -0.0021974 1.02989e-05 66
19714 84 C 19.7933 39.5927 60.0754 -0.0012501 -0.000367455 0.00172428 66
19715 85 C 20.7031 39.7139 58.8178 -0.00371778 -0.000857989 0.00200348 66
19716 86 C 19.9767 39.5883 57.4709 -0.00468579 -0.0029212 -0.000328395 66
19717 87 C 21.0123 39.3889 56.3632 -0.000451379 0.00121445 0.00702453 66
19718 88 C 20.4949 39.0634 54.9738 0.000866634 -0.000280758 -0.000176188 66
19719 89 C 19.8893 40.2223 54.2123 -0.00190692 -0.000524721 6.27833e-05 66
19720 90 C 19.4959 39.7157 52.7688 0.00442867 9.64297e-05 -0.000369759 66
19721 91 C 20.7228 39.5593 51.8369 -0.000897917 -0.00104347 0.000566965 66
19722 92 C 20.3887 39.3728 50.3592 -0.00280857 0.0054683 0.00204004 66
19723 93 C 21.5739 38.7599 49.5845 -0.0032476 0.000224662 0.000826737 66
19724 94 C 18.1472 39.4818 82.1412 0.00436754 0.00103292 -0.00280066 66
19725 95 C 18.2552 39.0394 83.577 -0.00396081 0.00245379 -0.00168606 66
19726 96 C 17.0907 39.3871 84.4685 -0.00193427 0.0032021 -0.00136577 66
19727 97 C 17.3961 38.99 85.9392 0.00204055 0.00156353 0.00492183 66
19728 98 C 16.5031 39.7347 86.9585 -0.00181112 0.00228356 0.00324537 66
19729 99 C 16.9391 39.4325 88.3665 0.00451837 -0.00815892 -0.00023849 66
19730 100 C 16.2478 40.2956 89.4146 -0.00171248 -0.00123196 -0.00319787 66
19731 101 C 16.5453 39.7975 90.8172 -0.00273121 0.000297078 -0.00350329 66
19732 102 C 17.9594 40.1934 91.2819 -0.00391034 -0.000296753 0.00430982 66
19733 103 C 18.2684 39.7542 92.7198 -0.00242763 -0.00222675 0.00150784 66
19734 104 C 17.5023 40.4889 93.8816 0.00326311 -0.00213088 -0.00251127 66
19735 105 C 17.5687 39.7251 95.2225 0.00186398 -0.00119153 -0.00019302 66
19736 106 C 23.5601 42.6646 82.0165 -0.00134639 -0.00435804 0.000738581 66
19737 107 C 23.8936 42.2306 83.42 0.00235145 0.00137238 0.00273304 66
19738 108 C 24.0123 43.3699 84.4829 0.00185301 -0.00149453 -0.00142147 66
19739 109 C 24.2834 42.8552 85.914 -0.00210314 0.00316325 0.00404055 66
19740 110 C 24.1569 43.9387 86.965 -0.00200386 0.00056107 -0.000359596 66
19741 111 C 24.7074 43.3993 88.2722 0.00184223 -0.000509136 -0.00207482 66
19742 112 C 24.2732 44.2132 89.4967 0.000520355 0.00102764 -0.00333962 66
19743 113 C 24.8971 43.5721 90.7719 0.00152998 -0.00215555 -0.00402677 66
19744 114 C 24.6826 44.415 92.0085 0.00293026 -0.00218445 -0.00443891 66
19745 115 C 25.3744 43.7376 93.2069 -0.000329185 -0.0026217 -0.0035778 66
19746 116 C 24.8595 44.3749 94.5033 -0.000978677 -0.000983793 4.18815e-05 66
19747 117 C 25.3798 43.8237 95.7945 0.00153298 -0.00248756 -0.000865635 66
19748 118 C 24.2494 35.5508 82.4929 0.00274558 0.0018367 0.000564079 66
19749 119 C 24.1877 35.4306 84.0692 -0.00314499 0.00434042 -0.000542478 66
19750 120 C 24.9501 34.1352 84.4753 -0.0020709 -0.00341742 0.0020055 66
19751 121 C 24.9512 33.6737 85.9335 -0.000210204 -0.00375973 0.000746511 66
19752 122 C 24.6516 34.7177 87.0723 0.00107358 -0.000117506 0.000557829 66
19753 123 C 25.106 34.0616 88.345 0.00273783 -0.00349251 -0.000110879 66
19754 124 C 24.9118 34.8941 89.6249 0.000226292 -0.00274645 0.000157418 66
19755 125 C 25.3599 34.1901 90.9105 0.000807658 0.00165499 0.00574097 66
19756 126 C 24.8462 34.8565 92.1823 0.00143791 -0.000505404 -0.00345709 66
19757 127 C 25.1942 34.1146 93.4979 -0.00180255 -0.00150448 -0.00369614 66
19758 128 C 24.3027 34.5228 94.6986 0.004235 0.000779631 0.0036448 66
19759 129 C 24.8796 35.7766 95.3874 0.00218916 0.001608 -0.00139686 66
19760 130 F 19.745 39.2938 73.5108 0.00380105 0.00358663 -0.00194759 66
19761 131 H 24.5243 43.1366 79.506 0.0058094 0.00317532 -0.0166397 66
19762 132 H 24.4741 42.9281 77.0968 -0.00683576 0.00580066 -0.00127149 66
19763 133 H 23.5177 40.8716 76.0076 0.00416902 -0.00848836 0.00151417 66
19764 134 H 17.4518 39.2914 79.804 0.00707909 -0.00336599 0.0182304 66
19765 135 H 17.5072 38.8417 77.387 -0.00635409 0.0106385 0.00441176 66
19766 136 H 19.6351 38.5838 76.2009 0.0122729 -0.0106819 0.000577467 66
19767 137 H 24.8181 34.9404 80.1336 0.00900701 0.00627455 -0.000930777 66
19768 138 H 24.6894 34.7802 77.6941 0.0165055 0.00691561 0.00180235 66
19769 139 H 23.5722 36.4851 76.4074 0.00412632 0.00071887 -0.00217149 66
19770 140 H 22.7961 35.8608 71.0082 0.00861272 0.0161657 -0.0194562 66
19771 141 H 23.5 36.6641 73.2248 0.00380029 0.00983274 0.00581176 66
19772 142 H 17.9547 31.7551 67.4 -0.00583912 -0.00881795 -0.0094021 66
19773 143 H 18.051 31.5479 64.9931 0.00430867 -0.00480647 0.0113032 66
19774 144 H 18.9247 33.6847 68.5449 0.011315 -0.0112182 -0.00097854 66
19775 145 H 24.9594 36.102 66.8411 -0.000116774 0.00351629 -0.000972799 66
19776 146 H 24.8156 35.7746 64.3852 0.00687289 -0.0164957 0.00504993 66
19777 147 H 22.9082 36.1389 68.2108 -0.00507507 -0.00528002 0.00124097 66
19778 148 H 17.99 40.1759 67.0488 0.00411324 0.000732851 0.00171439 66
19779 149 H 18.0011 40.1976 64.6386 -0.00734148 -0.00224563 0.00986863 66
19780 150 H 20.0066 35.8627 63.4299 0.00379093 -0.0100921 0.00103758 66
19781 151 H 18.8582 38.2277 68.2807 0.0186424 0.0149538 -0.000901201 66
19782 152 H 22.0819 39.1089 81.1836 0.00776632 -0.00206661 0.00056649 66
19783 153 H 23.1995 33.5497 62.7707 0.00117565 0.00657823 0.00697831 66
19784 154 H 21.5283 33.7294 63.4129 0.00672103 0.0113477 0.0121233 66
19785 155 H 20.6798 33.3462 61.3571 0.000278514 0.000873933 -0.00851407 66
19786 156 H 22.3078 33.302 60.7354 -0.00260044 0.000217613 0.00138682 66
19787 157 H 22.2141 35.9038 60.5929 -0.00901447 0.00883874 0.00837777 66
19788 158 H 20.4942 35.7298 61.0261 -0.00809975 -0.0128115 0.00160598 66
19789 159 H 20.3439 34.1152 59.0311 -0.000372081 0.00180484 -0.00322361 66
19790 160 H 22.0146 34.412 58.5968 -0.000347879 0.00907679 -0.00870167 66
19791 161 H 21.3225 36.8472 58.1968 -0.000156366 0.00160547 0.0240361 66
19792 162 H 19.6701 36.4602 58.6555 -0.00509282 -0.0116562 0.00304109 66
19793 163 H 20.0913 36.4684 56.1351 -0.0024259 0.00716401 0.0077185 66
19794 164 H 19.3214 35.0234 56.7875 0.00132911 0.00325532 -0.0040203 66
19795 165 H 21.4496 33.785 56.5296 -0.00418517 0.00401851 0.00447078 66
19796 166 H 22.2971 35.3444 56.1136 -0.00150885 0.00219276 -0.00662037 66
19797 167 H 20.0617 34.2836 54.3213 -0.000396156 -0.00109028 -0.00205084 66
19798 168 H 21.6712 33.6903 54.1607 0.0182191 0.0121093 0.00731551 66
19799 169 H 22.359 36.1899 53.8762 -8.46359e-05 0.00465194 -0.0101684 66
19800 170 H 20.6324 36.5643 53.8793 0.00980009 0.00865863 0.00996328 66
19801 171 H 21.7964 34.5302 51.8557 0.0056151 0.00470294 0.00563541 66
19802 172 H 21.9078 36.3041 51.6144 -0.00231922 0.00323642 -0.00921272 66
19803 173 H 19.5672 36.5803 51.7121 0.000284201 -0.00227934 0.0104256 66
19804 174 H 19.2098 34.9499 52.0819 -0.00993809 0.00287001 -0.00437035 66
19805 175 H 18.8322 35.4357 49.7136 -0.0080045 -0.0114776 0.00798152 66
19806 176 H 20.1173 34.1937 49.8421 -0.00545935 -0.00156992 -0.0198412 66
19807 177 H 20.5548 35.9481 49.5374 -0.0130714 0.00836985 0.00197881 66
19808 178 H 16.9255 33.3163 63.1814 0.00375138 -0.0024036 0.00987606 66
19809 179 H 17.7057 34.8513 62.6423 -0.00445658 0.000570259 -0.00331417 66
19810 180 H 18.7442 32.8384 60.8508 0.00170257 -0.00079465 0.00221676 66
19811 181 H 17.0439 32.5004 61.0562 0.0120609 -0.0107767 -0.00944092 66
19812 182 H 16.525 34.8602 60.3852 -0.0063844 -0.00647973 -0.0113465 66
19813 183 H 18.256 35.2241 60.1346 0.00725904 -0.00966243 0.00875001 66
19814 184 H 17.1628 34.7108 58.0003 0.00227893 0.00777795 0.00632313 66
19815 185 H 18.5023 33.6754 58.3114 0.00167723 0.00178273 0.00157446 66
19816 186 H 17.2277 31.8039 58.5646 -0.00383338 -0.00402618 0.00438446 66
19817 187 H 15.7594 32.6781 59.1105 -0.00264548 -0.0064012 0.000272148 66
19818 188 H 15.3789 31.6825 56.9655 -0.00251857 0.00108254 -0.00859982 66
19819 189 H 15.284 33.5047 56.9516 0.00833913 0.00432761 -0.00269855 66
19820 190 H 17.6742 33.4786 56.0028 0.00137311 -0.0061919 0.00823675 66
19821 191 H 17.5291 31.7436 55.7777 -0.00968104 -0.00648284 0.00547786 66
19822 192 H 15.4966 32.0294 54.3676 -0.0110497 0.00440302 0.0334515 66
19823 193 H 15.7693 33.8421 54.4781 0.00087641 0.000763786 -0.000730336 66
19824 194 H 17.9751 33.5303 53.3173 0.000720618 0.00100062 0.0151568 66
19825 195 H 17.6904 31.8122 53.3149 0.00276275 0.000716777 0.00130762 66
19826 196 H 15.4649 32.3001 51.9941 -0.00462805 0.0062682 -0.0042787 66
19827 197 H 15.9562 33.9871 51.9637 0.0141453 0.00614977 0.00529937 66
19828 198 H 18.0111 33.3893 50.6928 0.00497937 -0.00894552 0.0112705 66
19829 199 H 17.4474 31.694 50.5955 0.00516486 0.00039044 -0.00520805 66
19830 200 H 16.8579 33.0484 48.5094 0.0002287 -0.0125011 0.00010221 66
19831 201 H 15.3906 32.4645 49.3399 -0.00216982 -0.00431378 0.00769363 66
19832 202 H 15.9197 34.127 49.5055 0.0175094 0.00618118 -0.00340995 66
19833 203 H 20.4042 39.5034 62.6897 -0.00776052 0.00743657 -0.0129556 66
19834 204 H 20.782 37.7929 62.7929 -0.00438556 -0.00316513 0.0101452 66
19835 205 H 20.9559 37.8784 60.6125 -0.00179773 0.00123766 -0.00794387 66
19836 206 H 19.1497 37.6077 60.7061 -0.0011466 0.000316648 -0.00846616 66
19837 207 H 18.747 39.6684 59.7543 -0.00110413 0.0109076 0.003885 66
19838 208 H 19.9765 40.457 60.7256 -0.0032778 -0.00629969 0.0101891 66
19839 209 H 21.2787 40.6477 58.8308 -0.00540756 0.000165251 0.00308077 66
19840 210 H 21.4943 38.9575 58.8908 -0.00288559 -2.42854e-06 0.00186072 66
19841 211 H 19.2975 38.73 57.3962 -0.00702055 -0.000646372 -0.00546112 66
19842 212 H 19.3528 40.4633 57.2505 -0.00375096 -0.0030589 -0.00353806 66
19843 213 H 21.7256 40.2209 56.3133 4.64414e-05 0.00107678 0.0118607 66
19844 214 H 21.6109 38.5104 56.6339 0.00176606 0.000180612 -0.00122386 66
19845 215 H 21.3438 38.6578 54.4096 0.000815349 -0.0014406 0.000579984 66
19846 216 H 19.7289 38.281 55.0407 -0.00176619 0.000623226 -0.01975 66
19847 217 H 18.988 40.5707 54.7317 0.00795522 0.00256328 0.0150835 66
19848 218 H 20.5613 41.0882 54.1676 0.00328242 -0.00475861 -0.00374952 66
19849 219 H 19.011 38.7322 52.8019 0.00752009 -0.00113057 0.00825894 66
19850 220 H 18.7394 40.3808 52.3345 -0.00577691 -0.00710294 0.00634447 66
19851 221 H 21.4011 40.4189 51.9029 0.00481041 -0.00565208 0.00221308 66
19852 222 H 21.3695 38.7689 52.2373 -0.00186016 0.000433168 0.0050633 66
19853 223 H 19.4936 38.7517 50.2312 0.00393885 -0.00317528 -0.00306216 66
19854 224 H 20.0362 40.3047 49.9002 0.00246298 0.00359203 -0.00581437 66
19855 225 H 21.4345 38.6686 48.5003 -0.0155143 -0.00233105 0.00263676 66
19856 226 H 22.4853 39.3528 49.7303 -0.00478318 0.00224067 0.00222245 66
19857 227 H 21.767 37.7599 49.992 -0.0193474 -0.00670901 -0.00855462 66
19858 228 H 17.8567 40.5397 82.1366 -0.00532891 -0.00155881 0.00999545 66
19859 229 H 17.3653 38.8284 81.7347 0.00764983 0.00254837 -0.0115214 66
19860 230 H 18.3554 37.948 83.6244 -0.00867813 0.00286342 0.0182148 66
19861 231 H 19.142 39.4958 84.0337 0.0033957 -0.00604216 -0.00751011 66
19862 232 H 16.9363 40.4731 84.4686 -0.0144326 0.00143165 -0.00424988 66
19863 233 H 16.1706 38.9098 84.1094 -0.00928539 0.0128023 0.00472284 66
19864 234 H 17.2602 37.9177 86.1266 0.010559 0.00303014 0.0195053 66
19865 235 H 18.4452 39.2355 86.1453 0.00452188 0.00738443 -0.0145108 66
19866 236 H 16.4998 40.8235 86.8245 -0.00884074 0.00145674 -0.00328513 66
19867 237 H 15.4893 39.3306 86.8474 -0.00237986 0.00479588 -0.000649516 66
19868 238 H 16.7787 38.3751 88.6105 0.0102428 -0.00649771 0.0108033 66
19869 239 H 18.0264 39.5706 88.4129 0.00217569 0.0145902 -0.0133342 66
19870 240 H 16.5082 41.3541 89.2912 -0.00590994 -0.000445969 -0.00535441 66
19871 241 H 15.1554 40.2582 89.3207 -0.00116775 -0.015331 -0.00376014 66
19872 242 H 15.8152 40.2218 91.5174 -0.0120109 0.000247356 -0.0131632 66
19873 243 H 16.4013 38.7127 90.8938 -0.0109852 0.00208546 0.00661155 66
19874 244 H 18.7207 39.7955 90.5997 -0.00364766 0.0170991 -0.00557723 66
19875 245 H 18.0552 41.2831 91.2005 -0.0194887 0.000196065 -0.00756776 66
19876 246 H 18.0623 38.6796 92.7994 -0.0104836 -0.000777479 0.000226128 66
19877 247 H 19.3404 39.9061 92.8962 -0.00164574 0.0037546 -0.0083927 66
19878 248 H 17.9035 41.506 93.9704 0.012662 -0.00637404 0.00347474 66
19879 249 H 16.4446 40.6104 93.617 0.000926081 -0.00693443 0.0046365 66
19880 250 H 18.6268 39.6074 95.487 0.000360568 -0.0125491 0.000724918 66
19881 251 H 17.0278 40.2744 96.0031 -0.000658529 0.00228146 -0.0043783 66
19882 252 H 17.1116 38.7379 95.0819 0.00380395 -0.00205539 -0.000431833 66
19883 253 H 24.4031 43.258 81.6414 -0.00580814 -0.00018502 -0.00266946 66
19884 254 H 22.6031 43.1981 81.9622 0.00199115 0.00201358 0.00474183 66
19885 255 H 23.0771 41.5261 83.6211 -0.000258731 0.009983 0.0219145 66
19886 256 H 24.7992 41.6119 83.4009 0.000837912 -0.00107408 0.00968428 66
19887 257 H 24.7482 44.1006 84.1251 0.00579054 -0.000525679 0.00872627 66
19888 258 H 23.0406 43.879 84.4761 0.00100575 -0.00305844 0.00292639 66
19889 259 H 23.6007 42.0398 86.1829 0.0141041 -0.013824 -0.00621822 66
19890 260 H 25.2315 42.3154 86.0283 -0.0102698 -0.0137144 -0.00771163 66
19891 261 H 24.6748 44.8615 86.6756 -0.00173158 -0.00225536 -0.00883734 66
19892 262 H 23.101 44.2198 87.0615 -0.000525957 0.00132915 0.0134825 66
19893 263 H 24.335 42.3728 88.377 0.0107044 -0.00392204 -0.00394561 66
19894 264 H 25.7997 43.3065 88.232 0.0024755 0.00991423 -0.00851173 66
19895 265 H 24.7039 45.2111 89.348 0.00301053 -0.001848 -0.0155494 66
19896 266 H 23.1794 44.2608 89.5648 0.00029547 -0.0167891 0.00574742 66
19897 267 H 24.476 42.5683 90.9075 0.0111271 -0.00338334 0.0164855 66
19898 268 H 25.9535 43.4581 90.499 -0.00195643 -0.0134179 -0.0129755 66
19899 269 H 25.0305 45.4481 91.8865 -0.0109123 0.000765916 -0.0188867 66
19900 270 H 23.6151 44.4878 92.2504 0.00557911 0.0114045 0.00323787 66
19901 271 H 25.2762 42.6456 93.2439 0.00470231 -0.00288111 0.00256806 66
19902 272 H 26.4526 43.8857 93.0687 0.000223049 0.00423003 0.00821472 66
19903 273 H 25.1423 45.4344 94.4745 -0.00502285 0.000118892 0.00103384 66
19904 274 H 23.7652 44.3031 94.5319 -0.00108773 -0.00098997 -0.00416059 66
19905 275 H 24.9505 44.3114 96.6784 0.00577365 -0.0187849 0.0102239 66
19906 276 H 25.1653 42.7531 95.9005 0.0119173 -0.00460571 -0.00134421 66
19907 277 H 26.4496 44.0549 95.8677 -0.00115828 0.0120594 -0.00724132 66
19908 278 H 23.7427 34.6562 82.1104 -0.00641265 0.00245325 0.0112153 66
19909 279 H 25.2947 35.5195 82.1618 -0.00272656 0.0050527 -0.0169951 66
19910 280 H 23.1811 35.3804 84.5022 -0.0044639 -0.00587892 -0.00478248 66
19911 281 H 24.6599 36.3262 84.4913 0.00590179 -0.00156016 0.00182392 66
19912 282 H 25.999 34.147 84.1543 -0.00481339 -0.0119115 -0.00723364 66
19913 283 H 24.5209 33.3384 83.8553 -0.00328829 -0.00304766 0.00237064 66
19914 284 H 25.8973 33.157 86.1368 0.00669861 0.0103866 0.00450393 66
19915 285 H 24.2353 32.8478 86.0273 0.00573414 -0.00897258 0.000258115 66
19916 286 H 23.5788 34.9331 87.1508 0.000690719 -0.0030951 0.00351118 66
19917 287 H 25.1743 35.6733 86.942 0.00431828 -0.00131022 0.0048313 66
19918 288 H 26.1623 33.7973 88.2109 0.00124594 -0.00276203 -0.013449 66
19919 289 H 24.6009 33.0931 88.4463 0.0157307 -0.00993594 0.00324099 66
19920 290 H 23.8658 35.2173 89.6938 -0.00121818 -0.00513566 -0.0105396 66
19921 291 H 25.5118 35.8111 89.5733 0.00723836 -0.00782966 -0.00852683 66
19922 292 H 26.4532 34.1025 90.9311 0.000674918 -0.00187792 -0.00201618 66
19923 293 H 24.9913 33.157 90.8956 -0.00503516 0.00380248 0.00165451 66
19924 294 H 23.753 34.8573 92.0912 0.000765643 -0.00370426 0.00454193 66
19925 295 H 25.1846 35.8965 92.2682 0.00877937 -0.002811 -0.00448641 66
19926 296 H 26.262 34.1188 93.7492 -0.00193619 -0.00267452 -0.00310566 66
19927 297 H 24.8528 33.0865 93.3251 0.00314848 -0.00395358 0.00119388 66
19928 298 H 24.4336 33.7217 95.4366 0.0026733 -0.00273105 0.000103217 66
19929 299 H 23.2499 34.6272 94.4087 0.00647413 -0.00580886 -0.00688033 66
19930 300 H 24.2054 36.2399 96.1183 0.0030989 0.00639553 -0.00358276 66
19931 301 H 25.127 36.5344 94.6337 0.00459425 -0.0052566 -0.00751253 66
19932 302 H 25.793 35.5157 95.936 -0.0016176 0.0032312 0.0057215 66
19933 1 C 28.2357 35.4739 80.2388 -0.000777091 -0.000939575 0.00114984 67
19934 2 C 28.2634 35.3171 78.8301 -0.000464675 0.00368425 0.0017979 67
19935 3 C 27.6358 34.238 78.2208 -0.00485241 -0.00564223 0.00178278 67
19936 4 C 26.9489 33.3118 79.0533 -0.000587599 -0.00278114 -0.00214213 67
19937 5 C 26.8862 33.5018 80.4629 -0.00304865 0.00548931 3.75114e-05 67
19938 6 C 27.5625 34.6071 81.0801 0.00461163 -0.00495129 0.000420958 67
19939 7 C 22.198 32.34 80.1841 0.00103861 0.00210127 -0.0042915 67
19940 8 C 22.3596 32.2457 78.7974 -0.00244733 0.00578552 -0.00133263 67
19941 9 C 23.607 32.1967 78.2249 -0.0011106 -0.00360211 0.00238227 67
19942 10 C 24.7318 32.2713 79.0299 0.00200532 -0.00152302 -0.00482385 67
19943 11 C 24.6196 32.3456 80.4218 -0.00161397 -0.000199135 0.00301652 67
19944 12 C 23.3234 32.3752 81.0024 -0.00356285 0.00337224 0.00165512 67
19945 13 C 27.8375 28.9197 80.8171 0.00157285 -0.00056227 0.00361189 67
19946 14 C 27.814 28.79 79.4302 0.00483087 -8.31896e-05 0.00181984 67
19947 15 C 27.2958 29.8214 78.6639 -0.000760175 0.000752152 0.00193164 67
19948 16 C 26.7462 30.9542 79.2795 0.000829192 0.00496494 -0.00285483 67
19949 17 C 26.1527 32.0985 78.4869 0.00520535 -0.00461882 0.0016505 67
19950 18 O 27.4052 30.1414 82.8504 -0.000217887 -0.00268977 -0.00334932 67
19951 19 O 23.1531 32.3425 82.3743 0.00149321 -0.000716763 0.00148174 67
19952 20 O 27.4217 34.9175 82.449 0.000465239 0.000873896 0.00352281 67
19953 21 C 27.3365 30.0686 81.4716 -0.00414907 -0.0102176 2.23615e-05 67
19954 22 C 26.1481 31.8719 77.053 0.00145677 0.000120602 0.00348048 67
19955 23 C 26.0113 31.5258 75.8998 0.00401379 0.00298865 -0.00359038 67
19956 24 C 25.7019 31.0757 74.5878 -0.00351075 0.00107229 0.000605434 67
19957 25 C 24.902 31.8635 73.755 -0.00263451 -0.00243599 -0.00208395 67
19958 26 C 24.3818 31.3429 72.5437 0.0072973 -0.000146168 0.00179775 67
19959 27 C 24.5897 29.9935 72.1889 0.000706293 -8.81465e-05 0.000348554 67
19960 28 C 25.3948 29.2218 73.0003 -0.00388094 -0.00114661 -0.004027 67
19961 29 C 25.8916 29.7264 74.2093 0.0070775 -0.0027809 -0.00311687 67
19962 30 C 24.2612 29.5535 70.8846 0.00134852 0.00174361 0.00270014 67
19963 31 C 24.1282 29.322 69.713 -0.00045818 0.00771248 -0.00222341 67
19964 32 C 22.3982 25.7571 67.7572 0.00379206 0.00158455 0.000677911 67
19965 33 C 22.4187 25.7597 66.3551 0.00407683 -0.00242626 0.00159723 67
19966 34 C 22.9903 26.7904 65.6298 0.000544284 0.00133221 0.000873937 67
19967 35 C 23.5097 27.899 66.3263 0.00049022 0.000704293 -0.00104141 67
19968 36 C 23.5325 27.9269 67.7206 0.000275305 -0.00235753 -0.00162526 67
19969 37 C 22.9374 26.8663 68.4559 0.000198319 0.00159129 7.94244e-05 67
19970 38 C 24.1171 29.2295 68.2421 -0.00404257 0.00151774 0.0033206 67
19971 39 C 27.9546 29.7254 67.6868 -0.00319967 -0.0018843 -0.00391446 67
19972 40 C 27.933 29.6426 66.2711 -0.0055925 0.00229606 0.000611499 67
19973 41 C 26.772 29.3878 65.5655 -0.00106933 -0.000177921 -0.000288899 67
19974 42 C 25.5723 29.2427 66.2813 0.00131855 0.00334112 0.00353919 67
19975 43 C 25.5589 29.2898 67.6638 -0.0013519 -0.00362917 -0.000588101 67
19976 44 C 26.7375 29.5403 68.3825 0.000181656 0.000126015 -0.00152193 67
19977 45 C 22.0361 32.3958 67.3517 -0.00320478 0.00245381 -0.00445424 67
19978 46 C 22.1375 32.3154 65.9383 0.000298557 0.000616869 0.000338945 67
19979 47 C 22.7673 31.2569 65.2637 -0.000432146 0.000706672 -0.00103815 67
19980 48 C 23.3804 30.2865 66.0954 -0.00303304 0.00423169 0.000833692 67
19981 49 C 24.2007 29.0797 65.6008 0.002966 0.00294993 0.00251681 67
19982 50 C 23.3636 30.3729 67.5288 0.0011103 0.00400608 -0.00670594 67
19983 51 C 22.653 31.4223 68.1574 -0.00119189 -8.51623e-05 0.00399469 67
19984 52 O 26.6992 29.7015 64.2233 -0.000235998 -0.00107439 0.00254087 67
19985 53 O 23.0384 26.7726 64.2503 0.000359739 0.000965752 -0.00178617 67
19986 54 O 22.7693 31.2828 63.8728 -0.00135846 -0.000349727 3.6383e-05 67
19987 55 C 26.0192 32.3869 81.1508 0.000301243 0.000984872 0.000154092 67
19988 56 C 26.703 31.0782 80.6965 -0.00052383 0.00109231 0.000660255 67
19989 57 C 26.6569 28.7701 63.1716 -0.00958984 -0.000326026 -0.00305214 67
19990 58 C 26.0686 29.5066 62.0079 0.00292208 0.00169861 0.00394471 67
19991 59 C 26.0496 28.681 60.6668 0.00141967 0.00589729 0.00604254 67
19992 60 C 25.6753 29.527 59.4224 -0.000423873 -0.00326197 0.00219145 67
19993 61 C 25.4619 28.6399 58.1587 0.00100773 -0.00212953 0.00520284 67
19994 62 C 25.1676 29.4968 56.8895 0.00476728 -0.0016246 -0.000565859 67
19995 63 C 25.0234 28.664 55.6621 0.00323475 -0.00135483 0.000889441 67
19996 64 C 24.746 29.5574 54.4532 0.000894639 -0.00125156 0.000965788 67
19997 65 C 25.0957 28.9461 53.0785 0.000975306 -0.00284747 0.00324154 67
19998 66 C 23.9 28.2706 52.4097 0.000129789 -0.000319423 0.000695406 67
19999 67 C 24.1644 27.9587 50.9202 -0.00166998 -0.00310566 0.00297572 67
20000 68 C 24.1478 29.1549 49.9873 0.0012874 -0.00315189 -0.00107676 67
20001 69 F 23.6445 32.1579 71.7478 0.00353652 0.000402139 0.00280745 67
20002 70 C 23.3814 25.5684 63.5618 0.0002511 -0.000393437 -0.00312949 67
20003 71 C 23.9151 26.0001 62.1964 0.00193943 0.00477305 0.0027017 67
20004 72 C 24.3626 24.859 61.2926 0.00111668 -0.000115401 -0.00190716 67
20005 73 C 24.0892 25.1344 59.7925 -0.000144054 -0.00132897 -0.00139433 67
20006 74 C 24.6738 24.0205 58.8763 0.0026318 0.000825478 -0.00215676 67
20007 75 C 25.0922 24.5022 57.4715 -0.000554685 0.00257011 -0.00228737 67
20008 76 C 23.983 24.6564 56.4186 0.000151356 0.00224942 -0.00214961 67
20009 77 C 24.6129 24.883 55.0402 -8.86456e-05 -0.00134995 -0.00510884 67
20010 78 C 23.6283 24.6094 53.8793 0.0016046 0.00175742 -0.00269866 67
20011 79 C 24.424 24.447 52.5679 -0.00192069 -0.00260822 0.00313308 67
20012 80 C 23.5592 24.119 51.3364 0.00316612 -0.0020214 -0.00448127 67
20013 81 C 24.4242 23.517 50.2232 -0.00249214 -0.00487675 -0.00617926 67
20014 82 C 22.2908 30.2159 63.0355 0.00167306 -0.00549092 -0.000938474 67
20015 83 C 22.317 30.6886 61.6009 -0.00162822 0.000996415 0.00120193 67
20016 84 C 22.0297 29.6166 60.5371 -0.00103851 -0.0028024 -0.00157501 67
20017 85 C 21.958 30.0622 59.0401 0.00120422 0.000708517 0.0023533 67
20018 86 C 20.8718 31.1532 58.7759 0.00231479 -0.00201144 -0.00290545 67
20019 87 C 20.1007 31.0322 57.4627 -0.00265036 -0.00217304 -0.00188783 67
20020 88 C 21.0157 30.8517 56.2674 0.00339871 0.0046152 -0.000708163 67
20021 89 C 20.2976 31.2046 54.9089 0.000425215 -0.00223988 7.00188e-05 67
20022 90 C 21.2339 31.0559 53.7172 -4.07508e-05 -0.00244487 0.00528104 67
20023 91 C 20.7197 31.6182 52.359 0.00315484 0.00355317 0.00166152 67
20024 92 C 20.1491 30.4768 51.4943 -0.00312484 -0.00248084 -4.35107e-05 67
20025 93 C 20.0647 30.9151 50.0047 0.00238208 -0.0018474 0.000122768 67
20026 94 C 21.8957 32.7676 82.9555 -0.00200363 -0.0010507 0.00386753 67
20027 95 C 21.868 32.7235 84.4924 -0.00339826 0.00154364 0.00438131 67
20028 96 C 20.4211 32.925 85.1124 0.00389241 0.00377761 0.000841885 67
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20601 65 C 32.5452 28.2472 53.5745 -0.000969795 0.000109171 0.000473667 69
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20622 86 C 29.3142 30.4322 58.359 -0.00325027 -0.00882752 -0.00039505 69
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20625 89 C 28.2242 30.0651 54.5975 0.000498876 -0.000635065 0.000846367 69
20626 90 C 29.183 30.7406 53.6016 0.00145848 0.00206141 0.00534465 69
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20635 99 C 28.715 32.2517 89.2316 0.00203544 0.000216698 0.000572003 69
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20644 108 C 36.6658 37.438 84.5398 0.000305782 0.00354353 0.000497821 69
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20663 127 C 37.1927 27.4717 94.4465 0.00414769 0.00194405 0.00163823 69
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21142 2 C 43.8888 35.2926 78.7654 -0.000943735 0.00155739 -0.00226263 71
21143 3 C 43.2579 34.3048 78.0368 -0.00060874 -0.00282616 0.00155815 71
21144 4 C 42.5265 33.3256 78.7141 0.00439389 -0.00336793 0.00447056 71
21145 5 C 42.4848 33.3104 80.1431 -0.000869142 -0.00451724 -0.00324636 71
21146 6 C 43.1459 34.3131 80.8969 -0.00396445 0.000215684 0.00277746 71
21147 7 C 37.8779 32.2847 79.6893 -0.00193099 0.000380006 -0.00353915 71
21148 8 C 38.0167 32.219 78.2853 -0.00333868 -0.00166575 -0.00083327 71
21149 9 C 39.2508 32.1939 77.7108 0.00206646 0.00397557 -0.000144568 71
21150 10 C 40.4026 32.2121 78.5205 0.0016973 -0.00264561 -0.00333708 71
21151 11 C 40.2989 32.2064 79.9567 0.000683664 -0.00127093 -5.72577e-05 71
21152 12 C 39.0066 32.3229 80.544 -0.00118301 -0.00232228 0.000498211 71
21153 13 C 43.5271 28.7318 80.0112 -0.000308777 -0.00100624 0.00343357 71
21154 14 C 43.5622 28.7525 78.6215 -0.00485166 0.00382101 0.00311999 71
21155 15 C 43.0205 29.8516 77.9186 -0.00186964 0.000572206 0.00285376 71
21156 16 C 42.4365 30.899 78.6501 -0.00238404 0.0020109 0.00467519 71
21157 17 C 41.8194 32.1647 77.9855 0.00275755 -0.00494624 0.00304424 71
21158 18 O 43.1718 29.7903 82.1403 0.00134815 -0.00190942 -0.00116847 71
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21160 20 O 43.134 34.3474 82.3231 -0.00127301 -0.00322102 -0.00313008 71
21161 21 C 42.9455 29.777 80.7696 0.00381685 6.61643e-05 0.00285975 71
21162 22 C 41.8665 32.1719 76.4967 -0.00188013 0.00154033 -0.00136149 71
21163 23 C 41.7503 32.0042 75.3069 0.00249445 0.000481811 0.00246484 71
21164 24 C 41.4144 31.5727 73.964 0.00357367 -0.00161699 0.00269459 71
21165 25 C 40.9079 32.4475 72.9823 0.00108419 0.000903007 0.0020539 71
21166 26 C 40.5098 31.9157 71.7306 -0.00316865 -0.00193052 0.00187044 71
21167 27 C 40.6203 30.4999 71.5013 0.00174316 -0.00151694 0.00052118 71
21168 28 C 41.1497 29.6699 72.487 0.00125463 -0.0019187 -0.00235797 71
21169 29 C 41.5139 30.1793 73.7197 0.00279449 -0.00166407 0.000505602 71
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21624 182 H 39.5316 33.3624 60.2406 0.00453046 0.00242239 0.0166277 72
21625 183 H 40.1323 34.6033 59.1596 -0.00167537 0.00699689 0.00893384 72
21626 184 H 42.3234 32.8952 58.9504 0.00425424 -0.00335795 -0.00946434 72
21627 185 H 41.1418 31.8154 59.6167 -0.00538146 -0.00827341 -0.00815623 72
21628 186 H 41.3846 31.7244 57.1139 -0.00380791 -0.00625701 0.00299224 72
21629 187 H 39.7192 31.9307 57.6475 -0.00577156 0.011124 0.021212 72
21630 188 H 39.5938 34.0887 56.7254 0.00383893 0.0114221 0.00729941 72
21631 189 H 41.3066 34.439 57.0781 -0.00518273 0.000987426 0.00213908 72
21632 190 H 41.1001 34.2433 54.6451 -0.0162437 0.000799141 -0.0048364 72
21633 191 H 41.8612 32.6916 55.1478 -0.00114997 -0.00252892 0.00389795 72
21634 192 H 39.7699 31.5954 55.1057 0.00267518 0.00276919 0.00219426 72
21635 193 H 38.9078 33.0803 54.4867 0.0017775 0.0037853 0.00456015 72
21636 194 H 41.1943 31.6804 52.9941 0.00607343 0.0143324 -0.0090262 72
21637 195 H 39.4278 31.4884 52.7581 0.00155232 0.00337151 -0.00921752 72
21638 196 H 39.2438 33.8025 51.9938 0.000498328 0.00153738 -0.00148128 72
21639 197 H 40.9769 34.0794 52.45 -0.00234438 0.0140923 -0.0105724 72
21640 198 H 40.6632 33.8194 49.9581 0.00838305 -0.00220531 -1.31687e-05 72
21641 199 H 41.7821 32.6687 50.6989 0.00229862 0.000277898 -0.00962904 72
21642 200 H 40.1957 31.8062 48.8796 0.0114327 0.00155944 0.00189245 72
21643 201 H 39.9235 30.9103 50.4478 0.0175159 0.00237911 0.00017642 72
21644 202 H 38.8506 32.2488 49.9957 -0.00056635 -0.00242113 0.00573817 72
21645 203 H 43.5798 40.492 63.2992 -0.0148754 -0.00107899 0.00151503 72
21646 204 H 44.4644 38.9595 63.1229 -0.00457037 -0.00174669 0.00653492 72
21647 205 H 43.6077 38.4994 60.9838 0.000273628 0.00407743 0.000794002 72
21648 206 H 42.3082 39.5658 61.0751 -0.000683769 -0.00536823 -0.00943847 72
21649 207 H 43.4978 41.51 60.5106 -0.00308736 -0.00188476 0.00481807 72
21650 208 H 44.9846 40.9437 61.3133 0.00208419 -0.000785858 -0.00545625 72
21651 209 H 45.5196 40.7038 59.0312 -0.00835664 0.0133552 0.00263238 72
21652 210 H 44.7672 39.0922 59.3273 -0.00719384 -0.000147818 0.00624621 72
21653 211 H 42.6479 39.8823 58.395 -0.00491429 0.00670099 -0.00976186 72
21654 212 H 43.3822 41.5098 58.1484 -0.011579 -0.00530345 0.00392048 72
21655 213 H 45.1277 40.2561 56.6903 -0.00467601 0.00560831 -0.0105338 72
21656 214 H 44.2606 38.7987 56.9994 0.0250902 0.00011083 -0.0164015 72
21657 215 H 42.3252 39.7509 55.6878 -0.000345073 0.000286159 0.010463 72
21658 216 H 43.1393 41.2658 55.5075 0.00587077 -0.000650627 -0.0147076 72
21659 217 H 45.0974 40.1653 54.4854 0.00398798 -0.00499995 -0.0034964 72
21660 218 H 44.3284 38.5951 54.4799 -0.0167945 -0.00206835 0.00665448 72
21661 219 H 42.5328 39.3264 52.9871 -0.00467075 0.00142623 -0.00284143 72
21662 220 H 43.1925 40.9558 52.9832 0.0134498 0.00390037 0.00492028 72
21663 221 H 45.2686 40.2271 51.9515 0.000116292 -0.000278675 0.00762315 72
21664 222 H 44.7393 38.5467 51.8298 0.00137372 -0.00131716 0.0067368 72
21665 223 H 42.9399 39.1775 50.306 -0.0176162 0.0221594 -0.0029301 72
21666 224 H 43.2926 40.8869 50.3939 0.0277742 0.0162379 0.00223736 72
21667 225 H 45.3838 38.9099 49.3343 0.00464914 0.00130646 0.00526512 72
21668 226 H 44.2241 39.6601 48.3 0.00301316 0.00759449 -0.00336956 72
21669 227 H 45.4099 40.6678 49.1584 -0.000189407 -0.000925125 -0.00686412 72
21670 228 H 40.7596 39.4308 81.5822 0.00394361 0.00284361 -0.00393274 72
21671 229 H 41.1885 37.7279 81.981 0.00827901 -0.0031985 0.00144724 72
21672 230 H 42.2494 38.6067 84.0453 0.0136091 0.014894 -0.00524521 72
21673 231 H 41.6491 40.2191 83.6176 -0.00604804 0.00117918 -0.0108403 72
21674 232 H 39.3197 39.5365 83.6065 -0.00442877 -0.00519759 -0.00291531 72
21675 233 H 39.7012 37.9047 84.0435 0.0094992 -0.00136517 0.0115362 72
21676 234 H 40.0082 40.4835 85.7324 -0.00269806 0.00102069 -0.00910553 72
21677 235 H 38.8103 39.1621 85.932 -0.0010682 0.0193277 0.00152812 72
21678 236 H 40.4153 37.6438 86.6921 -0.00591469 -0.000278805 0.0101553 72
21679 237 H 41.7668 38.8149 86.4876 -0.000906523 0.00544181 0.00190573 72
21680 238 H 40.7916 40.3407 88.1127 0.0108567 -0.00454232 -0.00239641 72
21681 239 H 39.304 39.363 88.1791 -0.000198655 0.00461907 -0.00023621 72
21682 240 H 40.4619 37.4797 89.3367 0.00869751 -0.000371643 -0.00932419 72
21683 241 H 41.9316 38.4801 89.4165 0.000456074 -0.00668094 0.0072935 72
21684 242 H 40.4076 40.2361 90.6929 0.00136256 -0.00214046 0.00527377 72
21685 243 H 39.1224 39.0889 90.632 0.00255879 0.00425225 -0.00541656 72
21686 244 H 40.7311 37.479 91.9445 -0.00331441 -0.00177176 0.0143237 72
21687 245 H 41.7995 38.8315 92.0708 0.00475264 -0.00885279 -0.00480117 72
21688 246 H 40.1839 40.1209 93.1872 -0.00268046 -0.00182382 0.00888478 72
21689 247 H 38.8832 38.9395 92.9349 -1.34598e-06 -0.0147571 0.000788071 72
21690 248 H 40.2037 37.3467 94.5844 0.012529 -0.000223501 0.00895603 72
21691 249 H 41.4367 38.6128 94.5956 -0.00247308 -0.00263062 0.00525612 72
21692 250 H 39.9732 40.1217 95.8621 -0.0167852 0.0085719 0.00219277 72
21693 251 H 38.5609 39.087 95.4681 -0.00188574 0.00434683 0.0199881 72
21694 252 H 39.7757 38.5104 96.5878 -0.00733232 -0.000779292 -0.0032772 72
21695 253 H 48.545 41.2877 82.692 0.0117274 -0.000299922 -0.0087726 72
21696 254 H 48.5714 42.6061 81.5623 -0.0155571 0.00731473 -0.00201666 72
21697 255 H 48.251 43.9151 83.3631 -0.00286724 0.00493321 -0.017486 72
21698 256 H 46.5404 43.5452 82.8923 -0.00115437 0.00425956 0.00930575 72
21699 257 H 46.1514 42.9477 84.9693 0.00660784 0.00214958 -0.00162102 72
21700 258 H 46.9417 41.484 84.6325 0.000312028 0.00130141 0.0200538 72
21701 259 H 48.8222 42.0754 85.9622 -0.00871275 0.000168104 0.0146783 72
21702 260 H 48.7289 43.8049 85.5264 -0.0111073 0.00319184 -0.0117981 72
21703 261 H 47.0559 44.2388 87.1882 -0.0094636 -0.00406176 -0.000544263 72
21704 262 H 46.573 42.5448 87.3293 -0.00552184 0.00380698 0.00641438 72
21705 263 H 48.7914 42.0209 88.3651 -0.0155904 -0.00322434 -0.00729378 72
21706 264 H 49.3259 43.6567 87.9837 -0.00494356 0.00308491 -0.00361612 72
21707 265 H 48.566 44.5686 89.7982 -0.000740762 0.000224976 0.00758201 72
21708 266 H 46.9778 43.9022 89.5731 0.00361567 0.00461738 -0.0261066 72
21709 267 H 47.3959 41.9385 90.8763 -0.00240031 0.00349842 0.00383563 72
21710 268 H 49.1563 42.1419 90.7967 -0.00381157 -0.00489553 0.00399224 72
21711 269 H 49.0646 44.1495 92.2803 -0.0117598 0.0089881 0.00689305 72
21712 270 H 47.3279 44.0755 92.2319 -0.0086067 -0.010555 -0.000710632 72
21713 271 H 47.4809 41.7388 93.2936 0.01162 -0.0115167 0.00418992 72
21714 272 H 49.2315 42.003 93.5742 0.0045022 -0.00126486 -0.0115269 72
21715 273 H 47.0653 43.8727 94.6317 -0.0031802 0.000745734 0.0106457 72
21716 274 H 47.5975 42.4088 95.5126 -0.00910861 0.00355349 -0.00508673 72
21717 275 H 50.0114 43.3912 95.3425 0.00395405 0.0107182 -0.00881445 72
21718 276 H 49.1607 44.9026 94.7815 -0.00173533 0.00537907 0.00458159 72
21719 277 H 48.8277 44.2541 96.4285 0.00449417 -0.0135801 0.00435798 72
21720 278 H 45.9318 36.3786 83.9289 0.010267 -0.0028035 0.00577719 72
21721 279 H 45.8838 35.2373 82.5899 0.00527098 -0.00722778 0.00543568 72
21722 280 H 48.6423 35.6576 83.4769 0.00427566 -0.00899435 0.000854802 72
21723 281 H 47.8339 34.172 83.3171 0.00724017 -0.000341916 0.00313054 72
21724 282 H 46.4616 34.5495 85.496 0.00348468 -0.00861001 -0.0101578 72
21725 283 H 47.5497 35.8238 85.8781 0.0159965 -0.00390003 0.000351548 72
21726 284 H 49.5084 34.537 85.9496 -0.008443 0.0097451 0.00823747 72
21727 285 H 48.7324 33.1588 85.0485 0.00183661 0.00587374 -0.0013664 72
21728 286 H 49.102 32.5589 87.2662 0.00347347 0.00241789 0.01468 72
21729 287 H 47.348 32.7741 87.0635 -0.00550908 0.0131191 0.0103916 72
21730 288 H 47.46 34.9491 88.2555 0.0139283 0.0153017 -0.00818041 72
21731 289 H 49.2142 34.9676 88.2884 0.00342736 -0.00376084 -0.000915771 72
21732 290 H 49.2759 32.8676 89.6735 -0.002504 -0.00279135 -0.00501462 72
21733 291 H 47.469 32.8793 89.7305 -0.00217516 0.00726845 -0.00720751 72
21734 292 H 47.3191 34.8055 90.9247 -0.00220232 -0.00257291 -0.000373257 72
21735 293 H 48.954 35.3249 90.6723 0.00218134 0.00176171 0.00622682 72
21736 294 H 49.7368 33.2315 91.8992 0.00498855 0.0211249 -0.000368096 72
21737 295 H 48.0453 32.8347 92.2799 -0.0102064 0.00488755 0.00962524 72
21738 296 H 47.6904 34.8679 93.5306 -0.00297639 0.00919857 -0.0101242 72
21739 297 H 49.1585 35.5883 93.0531 -0.000199322 0.00741433 0.0117907 72
21740 298 H 50.3714 33.5968 94.2786 0.00392845 0.0161833 -0.00664997 72
21741 299 H 48.7728 33.1834 94.947 -0.00226995 0.00243418 -0.0017973 72
21742 300 H 48.5821 35.5038 95.9377 0.0032801 0.00352702 0.0147277 72
21743 301 H 50.1754 35.8514 95.3067 -0.000349461 -0.00439245 0.0175148 72
21744 302 H 49.8658 34.6408 96.6294 0.00440447 0.0111827 0.00282286 72
ITEM: TIMESTEP
106000
ITEM: NUMBER OF ATOMS
21744
ITEM: BOX BOUNDS pp pp pp
0.0000000000000000e+00 4.7073061717199998e+01
0.0000000000000000e+00 4.0766467281007898e+01
0.0000000000000000e+00 9.6958885940000002e+01
ITEM: ATOMS id type element xu yu zu vx vy vz mol
1 1 C 1.7202 6.95547 31.5675 0.00285489 -0.000108645 -0.000397815 1
2 2 C 1.85301 6.82202 30.1788 0.00261543 -0.00262223 0.00279398 1
3 3 C 1.36973 5.71286 29.5216 0.00097935 -0.00043978 0.00270639 1
4 4 C 0.745642 4.70578 30.2748 -0.000348207 -0.00233596 -0.0024504 1
5 5 C 0.608669 4.81909 31.6771 0.00274321 0.00207394 0.000550048 1
6 6 C 1.06256 5.9837 32.3342 2.91304e-05 0.00040666 0.000982763 1
7 7 C -3.82408 3.43074 31.1732 -0.00299313 0.000424846 0.000866831 1
8 8 C -3.67466 3.38581 29.8034 0.000156614 0.00174109 0.00439615 1
9 9 C -2.4001 3.36443 29.2494 -0.000657019 -0.00215899 -0.00155287 1
10 10 C -1.27917 3.40665 30.0809 -0.00211489 -0.000958112 -0.00315656 1
11 11 C -1.42685 3.44927 31.4989 -0.00533689 -0.000768108 -0.000342287 1
12 12 C -2.73207 3.46339 32.0371 0.00100839 0.000479412 0.00121636 1
13 13 C 1.6082 0.0234595 31.8599 0.000406126 -0.00164824 -0.00127994 1
14 14 C 1.85888 0.112233 30.4797 -0.000919485 -0.00204472 -0.000219739 1
15 15 C 1.51424 1.23409 29.7499 0.00277503 9.89475e-06 8.21796e-05 1
16 16 C 0.821125 2.27154 30.4054 -0.00121915 -0.00165934 0.00342051 1
17 17 C 0.185065 3.44374 29.664 -0.00248668 0.00178218 -0.00279539 1
18 18 O 0.955594 0.999162 33.9925 -0.00422879 -0.00402975 -0.000912893 1
19 19 O -2.97334 3.68081 33.3986 -0.000597895 0.000429001 -0.000948619 1
20 20 O 0.917714 6.19584 33.7003 -0.0021656 -0.00131167 0.00347767 1
21 21 C 1.0742 1.13 32.6004 -0.00408263 0.000858131 -0.00176423 1
22 22 C 0.446886 3.34077 28.2349 0.00272435 -0.00200205 0.0026639 1
23 23 C 0.913247 3.34772 27.1131 0.00354694 0.00452585 0.00213417 1
24 24 C 1.64339 3.39003 25.8695 -0.00328262 0.00172315 -0.00374359 1
25 25 C 1.28237 4.20643 24.7885 -0.00415479 1.43467e-05 -0.00304631 1
26 26 C 2.10755 4.2847 23.6726 0.000624478 0.000421745 7.00896e-05 1
27 27 C 3.27431 3.48968 23.6246 0.00114314 -0.00534099 0.00464846 1
28 28 C 3.62537 2.66216 24.6563 0.00349314 0.00012927 -0.0012126 1
29 29 C 2.80377 2.62406 25.7837 -0.000803436 -0.000575973 -0.000139991 1
30 30 C 4.04571 3.55269 22.4319 0.0042336 6.67642e-05 0.00321025 1
31 31 C 4.6074 3.61959 21.3325 0.00122731 0.0015922 -0.00450607 1
32 32 C 3.45392 0.0887631 19.1116 -0.00154943 -0.00147826 -3.58186e-05 1
33 33 C 3.50727 0.122267 17.7272 0.0028485 0.000319086 -0.000180411 1
34 34 C 4.1353 1.15969 17.0621 0.00231065 0.00193789 -0.00162735 1
35 35 C 4.65024 2.25069 17.801 0.00148831 0.00279662 -0.00240834 1
36 36 C 4.48486 2.30789 19.1755 -0.00479255 0.000926438 -0.00354245 1
37 37 C 3.87634 1.19074 19.8524 -0.00018033 -0.00712696 0.00307841 1
38 38 C 4.98846 3.60907 19.8627 -0.000658367 -0.00297061 -0.00417285 1
39 39 C 8.89105 3.63507 19.8217 -0.00228152 -0.0063236 -0.00170965 1
40 40 C 9.05303 3.58024 18.4031 -0.00302545 -0.000939031 -0.00234087 1
41 41 C 7.95522 3.58432 17.5074 0.0043104 0.000902819 -0.00375949 1
42 42 C 6.67799 3.55937 18.0939 -0.000859141 0.00355022 0.00144381 1
43 43 C 6.4976 3.59391 19.5019 0.00306465 0.000485726 5.54981e-05 1
44 44 C 7.59015 3.72244 20.3843 -0.00059179 -0.00215565 -0.00460872 1
45 45 C 3.16652 6.89516 18.6985 0.00125589 0.00241092 -0.00180048 1
46 46 C 3.42452 6.78323 17.3224 0.000145422 7.18919e-05 0.00285759 1
47 47 C 4.15732 5.70427 16.8055 -0.0012115 -0.000559192 0.00351451 1
48 48 C 4.62441 4.71991 17.6862 0.00549542 -0.00891766 0.00017515 1
49 49 C 5.3827 3.47177 17.2566 0.00127239 -0.000113117 0.00367508 1
50 50 C 4.40395 4.82413 19.0728 -0.00170385 -0.000258602 0.00115828 1
51 51 C 3.7297 5.94423 19.5771 0.00274324 -0.00175344 0.000487357 1
52 52 O 8.11319 3.4193 16.1591 -0.00321356 -0.00163989 -0.000733036 1
53 53 O 4.05256 1.19829 15.6661 -0.0015375 -0.00101173 0.00131027 1
54 54 O 4.33207 5.53202 15.4647 0.000900535 -0.000249741 -0.00298677 1
55 55 C -0.106283 3.53411 32.2617 0.00178373 -0.00146872 -0.000230017 1
56 56 C 0.653942 2.24103 31.7968 -0.000586704 0.000855621 -0.0018623 1
57 57 C 9.37467 3.4174 15.515 0.00015818 -0.00300847 0.00121914 1
58 58 C 9.24066 2.81304 14.1119 -0.00132121 0.0051077 -0.00108686 1
59 59 C 8.21793 3.49668 13.1626 0.00274234 -0.00535523 4.43873e-05 1
60 60 C 8.15917 2.79397 11.7816 -0.00180575 -0.0046283 -0.00282532 1
61 61 C 7.25192 3.47423 10.7358 -0.00083116 0.00156789 -0.000604946 1
62 62 C 6.92594 2.49366 9.59342 0.001467 -0.00615029 -0.00327288 1
63 63 C 7.1535 3.14391 8.25595 -0.000335665 -0.00307647 0.00109308 1
64 64 C 6.73341 2.34266 7.05673 -0.00414288 -0.0002644 -0.000774633 1
65 65 C 7.05041 3.01994 5.73156 0.00297608 -0.00101929 -0.00174071 1
66 66 C 6.77863 2.09111 4.49469 -0.00040287 -3.43326e-05 0.00444044 1
67 67 C 7.02836 2.87105 3.18974 0.0043801 0.00162508 -0.000903216 1
68 68 C 6.66118 2.15867 1.9279 -0.00672849 0.00238315 -0.000342215 1
69 69 F 1.80388 5.10208 22.6215 -0.00430488 0.00423324 0.000638265 1
70 70 C 5.14819 1.18257 14.8046 8.44661e-05 -0.00223664 0.000573914 1
71 71 C 5.50358 -0.265798 14.3281 0.00203889 0.00354207 -0.00383956 1
72 72 C 6.38589 -0.19908 13.0958 -0.00172182 0.000331941 0.00322556 1
73 73 C 6.70043 -1.58994 12.4647 -0.00299953 -0.000580741 -0.00562836 1
74 74 C 5.95817 -1.87347 11.1836 -0.000299368 -0.0043953 -0.000541813 1
75 75 C 6.54705 -1.23692 9.89764 -0.000853177 0.00110986 0.00105263 1
76 76 C 6.38995 -2.1649 8.65141 0.0004244 -0.00186362 -0.000242376 1
77 77 C 6.81193 -1.56484 7.2867 0.00134775 0.00533906 -0.00147699 1
78 78 C 6.80384 -2.666 6.22196 0.00126001 0.00419156 0.00326528 1
79 79 C 7.21536 -2.21166 4.83596 0.00160657 0.00227402 0.00074991 1
80 80 C 6.11827 -1.43993 4.0918 0.00345858 0.00374325 -0.00352795 1
81 81 C 6.43378 -1.21597 2.59267 0.00344756 -0.00195792 -0.000664986 1
82 82 C 3.26909 5.75688 14.5589 -0.00035866 0.00526238 0.00208413 1
83 83 C 3.03523 4.45729 13.7651 -8.38782e-05 -0.00818967 -0.00031226 1
84 84 C 3.8148 4.28296 12.4045 0.000684373 -6.4719e-05 0.00327721 1
85 85 C 3.08967 5.05474 11.2608 -0.00653248 -0.00123313 0.000946442 1
86 86 C 3.77797 4.8413 9.90493 0.00373778 0.00324092 0.00160475 1
87 87 C 2.98893 5.33305 8.70817 0.00251739 0.000666349 0.00088351 1
88 88 C 3.59475 4.78185 7.43081 -0.000982926 -0.00467737 -0.000981282 1
89 89 C 3.00066 5.45407 6.1766 0.00576499 0.00244775 0.00094359 1
90 90 C 3.38552 4.68463 4.9232 -0.00370706 0.00276376 -0.00137483 1
91 91 C 2.89238 5.44715 3.67866 -0.00505939 0.00153693 0.00107975 1
92 92 C 3.18652 4.61682 2.38946 -0.00251255 0.00549256 -0.00103323 1
93 93 C 3.04644 5.47935 1.1337 0.000558763 -0.000173087 0.00190759 1
94 94 C -4.18038 4.35122 33.879 -0.0032184 0.00174368 -0.00552982 1
95 95 C -5.31481 3.35421 34.2766 0.00728343 -0.0006785 0.00120881 1
96 96 C -6.1739 3.7535 35.5569 0.00247409 0.00225424 0.00401297 1
97 97 C -5.37822 3.7394 36.9103 0.0012934 0.00293186 0.00366696 1
98 98 C -6.24698 4.04422 38.138 0.000200352 0.00319329 -0.00366343 1
99 99 C -5.50935 3.61403 39.4267 -0.000161475 3.68243e-05 -0.000537282 1
100 100 C -6.14717 4.05568 40.7284 0.0013125 6.1216e-05 0.000925741 1
101 101 C -5.62546 3.40894 42.0135 0.000246713 0.00132295 -0.00677878 1
102 102 C -6.25171 3.96517 43.3246 0.00043875 -0.00127896 0.0032227 1
103 103 C -5.40948 3.44817 44.5301 0.00196549 -0.00225432 -0.000453544 1
104 104 C -5.85689 4.03395 45.9045 0.00460591 -0.0032425 -0.00239814 1
105 105 C -7.25177 3.63369 46.397 0.00212541 0.00183509 0.00300507 1
106 106 C 1.8425 6.93634 34.5232 0.00394626 0.00019817 0.00360476 1
107 107 C 1.1873 7.34699 35.8632 -0.00224391 -0.00345387 0.00239986 1
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1229 21 C 16.7238 1.16001 32.5008 -0.00138963 0.000715294 0.00120619 5
1230 22 C 16.1744 3.01804 27.9651 0.00278065 -4.46888e-05 0.00043949 5
1231 23 C 16.599 2.98418 26.8462 -0.00463071 -0.0040464 0.00409987 5
1232 24 C 17.3572 3.14209 25.6498 0.00264054 -0.00123076 -0.00274747 5
1233 25 C 18.4346 2.27615 25.362 -0.00442504 -0.00243237 -0.000221265 5
1234 26 C 19.2876 2.50536 24.2854 -0.00611217 0.00163404 -0.0049482 5
1235 27 C 19.1061 3.60434 23.4624 0.000318008 -0.00255986 0.000238195 5
1236 28 C 18.0713 4.52665 23.7869 -0.000461638 -0.00230362 2.32015e-05 5
1237 29 C 17.2104 4.32257 24.9073 -0.00279531 0.0046379 0.00360443 5
1238 30 C 19.8824 3.73863 22.2673 0.00115244 0.000234871 0.00111704 5
1239 31 C 20.3764 3.7662 21.1677 0.00107721 -0.00151628 0.00404663 5
1240 32 C 18.9443 0.286339 19.0693 -0.00650685 0.000678269 0.0024132 5
1241 33 C 19.1768 0.20298 17.6866 0.0023573 0.0015482 -0.00130073 5
1242 34 C 19.8772 1.21105 17.0427 0.00298491 0.00146534 0.000173899 5
1243 35 C 20.3529 2.30149 17.7391 -0.00164678 -0.000482273 0.00157517 5
1244 36 C 20.1002 2.39464 19.134 -0.00298903 -0.000858128 -0.000724126 5
1245 37 C 19.4108 1.3726 19.79 0.00619961 0.00219079 -0.00161606 5
1246 38 C 20.6614 3.69861 19.7534 0.000757143 0.00299277 0.00116195 5
1247 39 C 24.5502 3.69544 19.5483 9.64358e-05 0.00242434 -0.00301434 5
1248 40 C 24.6841 3.63638 18.1365 -0.000434934 0.00146735 -0.00156444 5
1249 41 C 23.5758 3.65109 17.3038 -0.00172138 -0.00174506 -0.00128659 5
1250 42 C 22.3081 3.62344 17.8984 0.00291629 0.000557819 0.00438928 5
1251 43 C 22.1585 3.67764 19.3167 0.00131835 0.00228542 0.00448263 5
1252 44 C 23.2991 3.69149 20.159 -0.00153477 0.00233292 -0.00556281 5
1253 45 C 18.7912 6.87925 18.5142 0.000461481 -0.000809711 -0.004651 5
1254 46 C 18.9807 6.76198 17.14 -0.00171416 -0.00134721 0.00394123 5
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1512 2 C 21.3798 13.6222 30.0358 0.00285497 -0.00439811 0.00126007 6
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1515 5 C 20.262 11.4844 31.5129 0.00337273 -0.00253322 -0.00188997 6
1516 6 C 20.6683 12.6817 32.1793 -0.00173822 5.49774e-05 -0.00237296 6
1517 7 C 15.7512 10.2095 30.9211 -0.00140883 0.000406394 0.00155256 6
1518 8 C 15.9185 10.0549 29.5408 -0.00139325 -0.00429783 -0.0012963 6
1519 9 C 17.1937 10.0422 29.0244 0.00171687 0.00331734 0.00177003 6
1520 10 C 18.2879 10.1547 29.9102 0.00124245 0.00112597 0.00317931 6
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1522 12 C 16.8167 10.3674 31.8308 -0.00372028 -0.00200541 0.000733581 6
1523 13 C 21.2879 6.82022 31.7187 0.00144042 0.00471201 0.00330863 6
1524 14 C 21.378 6.77924 30.3205 0.00168247 -0.000887973 0.000321841 6
1525 15 C 20.9045 7.83904 29.5305 0.000643117 0.00136929 0.00260654 6
1526 16 C 20.3501 8.93982 30.2125 0.00168312 0.000193074 -0.000536451 6
1527 17 C 19.7537 10.1621 29.4914 -0.00236505 -0.000557937 0.00191815 6
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1530 20 O 20.463 12.9075 33.5295 -0.000244355 -0.00202337 0.00235417 6
1531 21 C 20.7455 7.93367 32.3805 6.58443e-05 0.00179333 0.00329456 6
1532 22 C 19.9779 10.1136 28.0339 -0.00281472 0.00130691 0.00382928 6
1533 23 C 20.4689 10.0936 26.9208 -0.000282577 -0.00238899 -0.000340529 6
1534 24 C 21.3405 10.1157 25.786 0.000825504 0.00464154 0.00119612 6
1535 25 C 21.8724 11.3449 25.317 -0.000786506 -0.00193515 -0.00244132 6
1536 26 C 22.871 11.39 24.3778 -0.0011266 -0.000543018 -0.00117337 6
1537 27 C 23.3263 10.1961 23.8254 0.00199957 -0.0030208 -0.00187746 6
1538 28 C 22.8094 8.96125 24.2024 0.000216168 0.00113021 -0.00410195 6
1539 29 C 21.8456 8.90857 25.2033 4.4208e-05 -0.00256304 -0.00181201 6
1540 30 C 24.147 10.1708 22.656 0.000741538 0.000988254 -5.30566e-05 6
1541 31 C 24.5532 10.1929 21.5392 0.000414797 0.00373875 0.00233097 6
1542 32 C 22.6944 7.1234 19.2418 -0.000665746 -0.00235608 -0.000180672 6
1543 33 C 22.695 7.23599 17.8404 0.00161933 0.00412563 -0.0017765 6
1544 34 C 23.3727 8.28751 17.2189 -0.00055942 -0.00484749 0.000688577 6
1545 35 C 24.0696 9.2359 17.9885 -0.000175558 -0.00327003 -0.00267591 6
1546 36 C 23.9467 9.184 19.4002 0.00360861 -0.00257168 -0.000319319 6
1547 37 C 23.3019 8.08855 20.0352 0.00204495 -0.000133931 -0.000125674 6
1548 38 C 24.7143 10.2921 20.1037 0.00213656 0.00212571 -0.00268842 6
1549 39 C 28.5575 9.94643 19.6028 0.000742328 0.00169633 0.00080918 6
1550 40 C 28.5831 9.98403 18.1964 0.001787 -0.000236147 0.00291007 6
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1552 42 C 26.2173 10.2333 18.1469 -0.00461534 0.000248212 -0.00182989 6
1553 43 C 26.1488 10.1869 19.5544 0.00626573 0.00327116 0.00469509 6
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1560 50 C 24.126 11.5866 19.5382 -0.00271889 -0.000690842 -0.00162198 6
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1570 60 C 26.7672 9.56849 12.0289 0.000244515 -0.00303788 0.00199274 6
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1578 68 C 26.1168 10.8844 1.87037 -0.0016785 0.00378009 -8.72889e-05 6
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1584 74 C 22.2653 7.84139 10.6189 0.00198932 0.00259268 4.69227e-05 6
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1597 87 C 25.9981 15.0696 9.53284 -0.00155263 -0.00286565 -0.000485113 6
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1599 89 C 26.4196 15.2148 7.04437 -0.00135912 -0.0016358 -0.00221141 6
1600 90 C 27.1976 14.7448 5.8266 0.000581993 -0.00198436 0.00202714 6
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1603 93 C 26.5888 14.6279 1.97534 -0.00231773 0.00598609 0.000234214 6
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1609 99 C 13.7445 10.5967 39.5202 0.000673209 -0.00286854 0.000882528 6
1610 100 C 13.7088 9.67306 40.7718 -0.00222051 -0.00345146 0.000960517 6
1611 101 C 13.8507 10.5155 42.0477 0.00110846 0.0021692 0.0033751 6
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1623 113 C 21.9935 14.5709 42.5194 -0.00305654 0.000322323 0.000644254 6
1624 114 C 21.0618 14.309 43.701 0.000960554 0.00443313 0.00203693 6
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1630 120 C 22.1786 5.57669 36.3102 -0.00555664 7.24222e-05 -0.00224843 6
1631 121 C 22.228 6.69147 37.3722 0.000471687 -0.00307221 0.00243171 6
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1634 124 C 21.0523 5.99528 40.9448 0.00212349 -0.0012542 0.00166577 6
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1639 129 C 22.4963 5.24225 47.1002 0.00178908 0.00127591 -0.000555221 6
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1707 197 H 21.6411 7.35148 4.27874 -0.00127657 -0.00226701 0.00512757 6
1708 198 H 22.5734 9.37892 3.05242 0.00146836 -0.000411966 -0.00811474 6
1709 199 H 24.1239 8.52655 2.93665 0.00178692 0.0139924 0.0103652 6
1710 200 H 22.9108 6.65257 1.78084 -0.00651174 -0.00152752 0.00600189 6
1711 201 H 21.4484 7.61042 1.69566 -0.00120721 0.00580744 0.00855005 6
1712 202 H 22.8638 8.24422 0.863154 0.00329396 0.0088545 0.00214675 6
1713 203 H 25.8935 14.0042 16.6745 0.00338321 0.0119076 -0.00865551 6
1714 204 H 26.0268 12.5678 15.6495 0.00614589 0.00538217 0.0115658 6
1715 205 H 24.4796 14.9338 14.5668 0.000426959 -0.00250071 0.00861806 6
1716 206 H 26.1944 15.2486 14.8875 0.0118822 -0.0107722 -0.015113 6
1717 207 H 26.9125 13.642 13.2366 0.00142868 0.00519808 -0.00847778 6
1718 208 H 25.2971 12.8568 13.1661 0.00788754 -0.00744391 0.00118402 6
1719 209 H 24.4489 14.5955 11.75 -0.00320044 0.0181208 0.00338705 6
1720 210 H 25.6731 15.728 12.3769 0.0269795 -0.00679607 0.0110219 6
1721 211 H 27.3917 14.5725 11.1169 -0.00963298 0.0154849 0.0123598 6
1722 212 H 26.2637 13.2368 10.6486 0.0243793 -0.00431303 0.01037 6
1723 213 H 24.9371 14.8706 9.33768 -0.00313993 -0.00570068 0.0109184 6
1724 214 H 26.1775 16.1362 9.71568 -0.012181 -0.000283574 -0.00526258 6
1725 215 H 27.9487 14.7748 8.51192 0.00358149 8.21117e-05 0.00750023 6
1726 216 H 26.8249 13.526 8.29952 -0.0021716 -0.00203783 0.00818372 6
1727 217 H 25.3808 14.8759 6.94695 0.000555672 -0.00262745 -0.0189461 6
1728 218 H 26.4327 16.3069 7.14675 0.00637831 -0.00113563 -0.00866002 6
1729 219 H 28.204 15.1813 5.82168 4.20178e-05 -0.000835654 -0.00673963 6
1730 220 H 27.3239 13.6621 5.94972 -0.00303645 -0.0034988 -0.00766479 6
1731 221 H 25.5233 14.6105 4.58787 -0.00573746 0.00448849 -0.00299353 6
1732 222 H 26.401 16.1352 4.40841 -0.00248848 -0.00854413 -7.75647e-05 6
1733 223 H 28.29 14.9053 3.17073 -0.0036874 0.00342136 -5.78107e-05 6
1734 224 H 27.4576 13.3748 3.49909 0.0142267 -0.00354977 -0.00765189 6
1735 225 H 27.2678 14.3091 1.17494 -0.00616263 -0.00309895 0.000590975 6
1736 226 H 25.6788 14.018 1.91807 -0.00882001 0.0172714 -0.0166034 6
1737 227 H 26.3283 15.6825 1.82257 -0.00328761 0.00495612 -0.00518186 6
1738 228 H 14.9765 11.8745 33.5349 -0.0111634 0.000717684 0.00547368 6
1739 229 H 14.4467 10.2186 33.1425 -0.000380261 -0.00900128 0.0175204 6
1740 230 H 15.2545 9.36224 35.2075 -0.0083404 -0.00564805 0.0172098 6
1741 231 H 15.7048 10.9404 35.792 0.0103166 -0.00326047 -0.00990977 6
1742 232 H 13.0047 11.3352 34.9666 0.00832144 0.00237702 -0.00750925 6
1743 233 H 12.983 9.68931 35.4617 0.000191427 0.000442658 0.00714136 6
1744 234 H 14.0634 11.9566 37.2766 -0.00320873 0.00265025 -0.00844494 6
1745 235 H 12.3731 11.4282 37.2268 -0.00502071 -0.0139751 0.000141955 6
1746 236 H 13.1644 9.13723 38.0399 -0.00634196 0.00548291 -0.000235372 6
1747 237 H 14.8315 9.72803 37.8391 0.00630754 -0.00898574 0.017075 6
1748 238 H 14.5379 11.3399 39.6677 0.00558884 -0.00831091 0.00178298 6
1749 239 H 12.8453 11.2225 39.5776 -0.00274219 -0.0082943 0.00641345 6
1750 240 H 12.7497 9.14075 40.7827 -0.00266498 -0.00268442 -0.000460222 6
1751 241 H 14.5884 9.02407 40.6787 0.00202768 0.00159177 0.00579561 6
1752 242 H 14.8457 10.977 42.0313 0.00022589 0.00385812 -0.00247328 6
1753 243 H 13.0669 11.2829 42.0349 0.00554709 0.00676322 0.00806799 6
1754 244 H 12.7778 9.14825 43.3638 -0.00593564 -0.00568532 -0.00725981 6
1755 245 H 14.484 8.86368 43.2269 0.0125894 0.0185029 0.0132709 6
1756 246 H 14.9804 10.9361 44.4695 0.00781009 -0.0124181 -0.00495143 6
1757 247 H 13.238 11.2894 44.6458 -0.00822345 -0.00138703 -0.000316791 6
1758 248 H 12.8275 9.58047 46.1731 -0.00190678 -0.00215012 -0.0102101 6
1759 249 H 14.1834 8.64999 45.6219 -0.00137725 -0.00133388 0.00261158 6
1760 250 H 14.6966 9.41952 47.8942 0.00138441 0.00326824 0.00257704 6
1761 251 H 15.7646 10.1363 46.7603 -4.6133e-05 -0.00905779 -0.00218206 6
1762 252 H 14.4531 11.1626 47.3626 0.0102694 0.00647656 0.00116816 6
1763 253 H 22.3148 13.705 34.2142 0.00208215 -0.000921234 -0.0124156 6
1764 254 H 21.0535 14.8821 33.7618 -0.0157609 0.00139942 0.0064714 6
1765 255 H 19.8765 14.5597 35.764 0.00430851 0.00233104 0.00148666 6
1766 256 H 20.4476 12.9191 35.919 0.00401648 0.000252808 0.00688031 6
1767 257 H 22.7477 13.8049 36.5154 -0.0142806 -0.0147594 0.0125071 6
1768 258 H 22.0718 15.4617 36.6363 0.0123885 0.00039822 0.0127376 6
1769 259 H 20.3299 14.3192 38.2208 0.000886445 -0.00215762 0.0178657 6
1770 260 H 21.4292 12.9371 38.1944 0.00561216 -0.000436473 -0.0129679 6
1771 261 H 23.136 15.1815 38.6075 -0.012776 -0.0024545 -0.01935 6
1772 262 H 21.6461 15.5386 39.5448 -0.00643793 -0.0045215 0.00284144 6
1773 263 H 23.1711 12.8946 39.7664 -0.00174897 -0.00846623 0.00340842 6
1774 264 H 23.6644 14.3334 40.6255 -0.00365448 0.0143463 -0.00901673 6
1775 265 H 20.7735 13.4787 41.0722 0.000357701 0.0152882 -0.00861271 6
1776 266 H 22.1192 12.5503 41.7445 -0.00574341 0.000473672 0.00279313 6
1777 267 H 23.0415 14.5937 42.8425 -0.0032078 0.00825626 0.000608531 6
1778 268 H 21.8256 15.5794 42.1216 0.000790999 0.00131438 0.0015236 6
1779 269 H 20.0193 14.3873 43.3687 0.00576838 -0.00671012 -0.0157659 6
1780 270 H 21.3364 13.2807 43.9664 -0.00494536 0.00207961 -0.00103602 6
1781 271 H 22.4994 15.1622 45.0961 -0.0068357 -0.00397479 0.00642114 6
1782 272 H 21.1867 16.2476 44.644 0.0132138 0.00218354 0.000277213 6
1783 273 H 19.6159 14.969 46.0433 -0.00305965 -0.00250493 0.00588552 6
1784 274 H 20.9779 13.8502 46.5116 0.0115684 0.00513041 -0.00234893 6
1785 275 H 22.1354 15.8626 47.5212 -0.00308593 0.0013317 0.00771382 6
1786 276 H 20.7043 16.8799 46.9554 0.00698542 0.00848606 0.0184637 6
1787 277 H 20.4936 15.7088 48.23 0.00392573 0.00437703 0.0064987 6
1788 278 H 20.1055 6.90753 35.5306 0.0015229 -0.0251782 0.00628122 6
1789 279 H 19.9008 6.03951 34.0403 0.00431757 -0.00444406 0.00308009 6
1790 280 H 22.7406 6.78738 34.5965 -0.00361711 0.0091868 0.00791637 6
1791 281 H 22.0907 5.21001 34.1643 0.000990596 0.00681383 -0.00825353 6
1792 282 H 23.1404 5.05217 36.3663 -0.0120375 -0.0116017 -0.000593091 6
1793 283 H 21.3639 4.89687 36.5887 0.00100675 -0.0019728 0.0118658 6
1794 284 H 21.2733 7.23002 37.4153 -0.00127871 -0.00532403 -0.00865564 6
1795 285 H 22.9886 7.43455 37.1025 -0.0088412 0.00248572 -0.00855619 6
1796 286 H 22.812 7.09473 39.345 0.00256733 0.00182721 0.00500946 6
1797 287 H 23.2614 5.48409 38.8463 0.011945 0.0161429 -0.00123783 6
1798 288 H 21.2506 4.51691 39.3651 -0.0022384 -0.002005 -0.00126139 6
1799 289 H 20.2903 5.96084 38.9105 0.00904295 0.010504 0.00100585 6
1800 290 H 20.0704 5.65013 41.2913 0.00138234 -0.00478294 -0.00395398 6
1801 291 H 20.973 7.08471 41.046 -0.0134707 -0.00201861 -0.00219216 6
1802 292 H 23.0542 6.0507 41.7466 -0.000655839 0.000389727 -0.00344811 6
1803 293 H 22.3361 4.44095 41.7079 -0.0105811 -0.00297655 -0.00544747 6
1804 294 H 20.6395 5.11146 43.4401 -0.00892449 0.0135663 0.0036848 6
1805 295 H 21.2214 6.75672 43.4154 -0.00313815 0.00482974 0.0048733 6
1806 296 H 23.3858 5.94716 44.5084 -0.00401263 0.00346081 -0.000593655 6
1807 297 H 22.7773 4.28837 44.3849 -0.000644726 -0.00410157 -0.012926 6
1808 298 H 20.8059 4.85999 45.7921 -0.00255215 0.00491436 -0.00136405 6
1809 299 H 21.3023 6.54693 45.8719 -0.0128468 -0.00689049 0.00983611 6
1810 300 H 22.8828 4.21582 47.1227 -0.00511769 -0.00155003 -0.0108835 6
1811 301 H 21.8816 5.42224 47.9908 0.00500053 -0.00419709 0.00276862 6
1812 302 H 23.359 5.9184 47.1442 -0.00801164 0.0135999 0.0020425 6
1813 1 C 25.0905 6.84121 30.8614 -0.00192385 -0.00104596 0.00115742 7
1814 2 C 25.1063 6.81628 29.4552 0.000994136 0.000679795 0.00118693 7
1815 3 C 24.6369 5.69538 28.8052 0.00302283 -0.000262423 -0.000626579 7
1816 4 C 24.1303 4.61851 29.5455 0.00425469 -0.00299352 -2.69876e-05 7
1817 5 C 24.0411 4.66445 30.9491 -0.00156961 0.00161315 0.000531269 7
1818 6 C 24.5687 5.79428 31.6597 -0.001918 0.0028231 0.00443203 7
1819 7 C 19.6277 3.11451 30.4875 0.000977541 -0.00175573 0.00129958 7
1820 8 C 19.7897 2.95782 29.094 -0.00502633 0.00186347 -0.00136888 7
1821 9 C 21.0323 3.04853 28.4971 -0.00198892 0.00348791 0.000699702 7
1822 10 C 22.1514 3.27764 29.3081 0.005717 0.00286443 0.000423828 7
1823 11 C 21.9894 3.30941 30.6952 -0.00266519 -0.00278046 -0.000701684 7
1824 12 C 20.7494 3.31126 31.3048 0.000710432 0.00315333 0.00178111 7
1825 13 C 25.4155 0.126085 30.9309 -0.00128405 0.00174668 -0.00219315 7
1826 14 C 25.5221 0.141972 29.5274 0.000688245 0.00261643 -0.00131763 7
1827 15 C 24.9561 1.17127 28.8334 -0.00199514 0.000197834 -0.00503253 7
1828 16 C 24.2803 2.17766 29.5143 0.000570477 -0.00440376 0.00218737 7
1829 17 C 23.5823 3.37229 28.8468 -9.77659e-05 0.00125712 0.0018225 7
1830 18 O 24.5249 0.951706 33.0137 -0.00251454 0.00142926 -0.00137046 7
1831 19 O 20.5767 3.45635 32.6543 0.00357047 0.00108752 -0.00220062 7
1832 20 O 24.5529 5.98996 33.0512 0.000404335 -0.0039395 -0.000197617 7
1833 21 C 24.6515 1.07132 31.6469 0.00141453 0.0025088 0.00321204 7
1834 22 C 23.7683 3.33838 27.3991 0.0018565 -0.00302174 0.000238244 7
1835 23 C 24.2529 3.28378 26.2822 -0.000959225 -0.00375528 -0.00226035 7
1836 24 C 25.0212 3.28955 25.0641 0.000938552 0.00434196 -0.0021702 7
1837 25 C 25.5988 2.09883 24.6324 0.00820353 -0.00475413 -0.00145 7
1838 26 C 26.5813 2.11371 23.6153 -0.000788661 -0.00198543 -0.0017299 7
1839 27 C 27.0536 3.36519 23.1356 -0.00169199 0.00111923 0.000795219 7
1840 28 C 26.4779 4.53798 23.5912 0.00498153 -0.00424565 -0.00442523 7
1841 29 C 25.469 4.53257 24.5694 7.91883e-05 0.00429493 -0.00320228 7
1842 30 C 27.8315 3.45221 21.9672 0.00604316 -7.91367e-05 0.00338907 7
1843 31 C 28.3288 3.53302 20.8756 -0.00129935 -7.19024e-05 0.00102942 7
1844 32 C 27.0815 0.112538 18.5913 -0.00262797 -0.00384219 0.00214341 7
1845 33 C 27.266 0.161293 17.1946 -0.00282917 0.00550819 -0.00251283 7
1846 34 C 27.8813 1.29308 16.5848 0.00322049 0.00156995 0.00131314 7
1847 35 C 28.222 2.38879 17.3588 -0.00288481 -0.00276802 -0.000765213 7
1848 36 C 28.054 2.3484 18.7453 -0.00283177 -0.00490207 -0.00135705 7
1849 37 C 27.4659 1.21842 19.3677 -0.00305154 0.000690389 0.000519102 7
1850 38 C 28.5643 3.64403 19.4464 8.92329e-05 0.00408005 -0.00175077 7
1851 39 C 32.4147 3.65244 19.2055 -2.10462e-05 -0.00458965 0.00329161 7
1852 40 C 32.5373 3.70887 17.7973 0.000185348 0.0015208 0.00434499 7
1853 41 C 31.3946 3.82384 16.959 0.00375319 -7.92002e-06 0.0015119 7
1854 42 C 30.1662 3.75115 17.5977 -0.00354433 0.000897327 0.0028144 7
1855 43 C 30.029 3.72928 18.9997 -0.000910719 0.000313218 -0.00456032 7
1856 44 C 31.1588 3.7002 19.7945 -0.00243028 -0.00131709 -0.00437873 7
1857 45 C 26.5188 6.82581 18.6132 -0.000899767 0.00213878 -0.00492436 7
1858 46 C 26.6941 6.81829 17.2125 -0.00353028 -0.00157696 -0.0031432 7
1859 47 C 27.4552 5.82832 16.5921 -0.00254588 0.00358325 0.00221751 7
1860 48 C 28.0562 4.85627 17.3671 -0.000686219 -0.00213379 -0.000495953 7
1861 49 C 28.8721 3.67083 16.8074 -0.00276863 -0.00116404 0.00467977 7
1862 50 C 27.8762 4.8535 18.7527 0.00320142 0.000350002 0.00154294 7
1863 51 C 27.1035 5.83176 19.4 -0.00112392 -0.0010714 -0.00396932 7
1864 52 O 31.5081 4.1103 15.5863 0.00413403 -0.0012295 0.00664049 7
1865 53 O 28.1617 1.30641 15.2544 0.00130919 -0.00142455 0.000447525 7
1866 54 O 27.6686 5.91895 15.2455 0.00291317 -0.00283247 0.0020772 7
1867 55 C 23.3401 3.37707 31.4882 0.00198968 -0.00433774 -0.00101598 7
1868 56 C 24.1143 2.15304 30.9058 0.000725385 0.00312859 0.00220317 7
1869 57 C 31.7428 3.10929 14.6305 -0.000869054 0.000941025 0.000898583 7
1870 58 C 31.7845 3.69745 13.2131 0.000618627 -0.00249633 0.00337243 7
1871 59 C 30.4275 3.72967 12.4551 -0.00405702 -0.000550356 0.00319399 7
1872 60 C 30.4444 2.76511 11.2481 0.00126719 -0.000557617 0.00105166 7
1873 61 C 30.8144 3.37154 9.88921 0.00221456 0.000898717 -0.00164507 7
1874 62 C 30.3301 2.56132 8.68043 -0.000718939 -0.000184755 6.43307e-05 7
1875 63 C 30.4551 3.40965 7.39325 -0.00337805 0.00199152 0.00026429 7
1876 64 C 30.2481 2.59777 6.12399 -0.00277187 0.00416988 0.000959303 7
1877 65 C 30.346 3.4255 4.84192 -0.00199099 -0.00394543 -0.00465232 7
1878 66 C 30.1908 2.62151 3.57521 0.000805647 0.00527103 -0.000798221 7
1879 67 C 30.2518 3.43136 2.29409 0.00611397 -0.000618741 0.000663725 7
1880 68 C 30.5343 2.59299 1.07554 0.00235129 0.00299263 0.0024163 7
1881 69 F 26.9902 0.967463 23.0514 0.000539515 0.000499924 0.000717632 7
1882 70 C 28.5538 0.0867332 14.582 -0.00170367 0.00575879 0.0055187 7
1883 71 C 29.1841 0.393367 13.1629 0.000915145 0.00134361 -0.000695394 7
1884 72 C 29.5849 -0.88244 12.4515 -0.000628398 -0.000419299 -0.00160648 7
1885 73 C 29.7877 -0.745908 10.9197 0.00387225 -0.00286735 0.0048214 7
1886 74 C 30.3291 -2.03828 10.2886 0.0040775 -0.0013542 -0.00124695 7
1887 75 C 30.9796 -1.74543 8.92753 -0.00146395 0.00529745 -0.00134202 7
1888 76 C 29.9877 -1.53826 7.80243 -0.00236966 0.00068003 0.00260802 7
1889 77 C 30.8418 -0.982139 6.60792 -0.000873853 -0.00417365 0.000352705 7
1890 78 C 30.0452 -0.72855 5.32479 -0.00141196 0.0026686 0.000744145 7
1891 79 C 29.748 -2.11548 4.61794 -0.000712769 -0.00285411 -0.00364823 7
1892 80 C 29.1287 -1.88652 3.19572 -0.00357783 0.00120669 0.00208202 7
1893 81 C 30.1542 -1.25925 2.20613 0.000892547 0.00386581 -0.00352188 7
1894 82 C 26.9216 5.01249 14.4205 -0.00100067 -0.00318859 0.00030733 7
1895 83 C 27.4046 5.29561 12.9938 -0.00119365 0.000176046 -0.00230711 7
1896 84 C 27.0713 4.16101 12.0152 0.000422749 -0.00434421 0.00259136 7
1897 85 C 27.5382 4.43883 10.5673 -0.000436375 -0.00222084 0.0032472 7
1898 86 C 26.5457 5.33061 9.80289 -0.0012483 0.00165698 -0.00113198 7
1899 87 C 26.8521 5.34081 8.29307 -0.00132112 -0.00154297 -0.00113658 7
1900 88 C 25.7353 5.98028 7.43529 0.00352143 0.000647055 -0.00176385 7
1901 89 C 26.2041 6.23014 5.9597 -0.00105223 -0.00148588 -0.00215284 7
1902 90 C 26.7846 4.97444 5.2563 0.00150409 0.00302693 0.00474864 7
1903 91 C 27.1891 5.17011 3.79803 0.000830031 -0.00196758 0.000974902 7
1904 92 C 26.006 5.66585 2.93969 0.00134013 0.000704748 0.000197383 7
1905 93 C 26.197 5.27386 1.46412 0.00257186 -0.00224382 0.00377678 7
1906 94 C 19.2782 3.62574 33.2704 0.000348935 0.00460673 -0.0015837 7
1907 95 C 19.5145 3.39675 34.7836 0.000404593 -1.67041e-05 -0.00311298 7
1908 96 C 18.3357 3.82712 35.6762 0.00101997 -0.00592438 3.10508e-05 7
1909 97 C 18.5857 3.63997 37.1928 -0.000753922 -0.00432308 0.00485714 7
1910 98 C 17.4039 4.20575 38.0238 0.00225398 0.000221133 -0.00407417 7
1911 99 C 17.7277 4.27297 39.5847 0.000335988 0.00273491 -0.00100024 7
1912 100 C 17.8018 2.87647 40.281 -0.00115744 -0.00134893 0.00233123 7
1913 101 C 18.5582 2.96606 41.6371 0.00253869 -0.00125356 -0.000268206 7
1914 102 C 17.6863 3.30344 42.8622 0.000945096 -0.00192388 0.00398409 7
1915 103 C 18.4816 2.95142 44.1077 0.00435472 -0.00379884 0.000415806 7
1916 104 C 17.6861 3.21152 45.3575 9.9905e-05 0.00358658 -0.000722545 7
1917 105 C 18.4311 2.86965 46.6381 -0.00271527 0.000962817 0.0017236 7
1918 106 C 25.3639 7.01005 33.6506 -0.000431991 0.00364393 0.000350572 7
1919 107 C 25.5025 6.99478 35.2291 -0.00672574 0.00139884 0.00684206 7
1920 108 C 26.3912 8.2549 35.6399 0.000517924 -0.00838336 0.00178125 7
1921 109 C 26.0229 8.87447 37.0407 -0.000266912 -0.00128999 0.00371064 7
1922 110 C 25.9617 7.89112 38.2495 -0.0047801 -0.000148133 -0.00233048 7
1923 111 C 25.8601 8.70859 39.5754 1.97095e-05 -0.000568027 -0.000623713 7
1924 112 C 25.674 7.8033 40.814 -0.00252623 -0.000258918 -0.00153166 7
1925 113 C 25.6669 8.64549 42.116 -0.0014091 -0.00275042 0.00379694 7
1926 114 C 25.5445 7.75636 43.3478 0.000549178 -0.00135763 0.000245686 7
1927 115 C 25.329 8.51875 44.6645 -0.00182403 -0.00154145 -0.00443857 7
1928 116 C 25.4846 7.64959 45.9169 0.00250928 -0.000163709 8.8371e-05 7
1929 117 C 25.246 8.46605 47.2007 0.003441 -0.00405533 -0.00128627 7
1930 118 C 25.3117 -0.101317 33.6558 0.00518898 -0.00283697 -0.00111082 7
1931 119 C 25.3042 -0.102184 35.2011 9.21013e-05 -0.00363606 -0.0042146 7
1932 120 C 26.0003 -1.37812 35.7556 0.00490081 0.0026746 -0.00252352 7
1933 121 C 25.9187 -1.59841 37.3059 -0.00117899 -0.00241723 -0.0014048 7
1934 122 C 25.9548 -0.397208 38.2861 0.00403927 0.00237356 0.00332678 7
1935 123 C 26.0004 -0.921827 39.761 -0.00123491 -0.00151526 0.000355547 7
1936 124 C 25.6847 0.193569 40.7534 -0.00169416 0.0017672 -0.00179108 7
1937 125 C 25.3757 -0.260848 42.1788 -0.000736749 -0.00438819 -8.78354e-05 7
1938 126 C 26.5423 -0.853069 42.9932 0.00103587 -0.00613584 -0.00649012 7
1939 127 C 26.1072 -1.32006 44.3984 0.000169116 0.000370346 0.00460478 7
1940 128 C 25.6287 -0.176735 45.3128 -0.000501341 0.00380241 -0.00116852 7
1941 129 C 25.3001 -0.62746 46.7337 -0.00276172 0.00277818 -0.00146517 7
1942 130 F 25.1171 0.959652 25.0915 0.000555355 -0.00209519 -0.000280842 7
1943 131 H 25.5217 7.74004 31.2922 -0.00898262 0.00712577 -0.00881504 7
1944 132 H 25.4547 7.6457 28.8468 0.00215902 -0.0020444 -0.00186612 7
1945 133 H 24.6631 5.73838 27.7204 0.00820425 -0.00195739 -0.000568098 7
1946 134 H 18.6178 3.18407 30.8808 0.00140581 0.0311212 -0.00326267 7
1947 135 H 18.9 2.74463 28.5089 0.00130956 7.53364e-05 -0.0103173 7
1948 136 H 21.1411 2.8557 27.4339 -0.0230021 0.00377054 -0.00148996 7
1949 137 H 25.9281 -0.723027 31.3732 -0.00921124 -0.0053651 -0.00664353 7
1950 138 H 26.0024 -0.670175 28.9896 0.00784013 -0.00523668 0.0169231 7
1951 139 H 25.0178 1.18319 27.7492 -0.0103277 0.00843665 -0.00543526 7
1952 140 H 26.8125 5.50088 23.2167 -0.00144579 0.00220569 0.00636171 7
1953 141 H 25.0267 5.4611 24.918 -0.00627281 -0.00257886 0.00704061 7
1954 142 H 26.7523 -0.795945 19.0869 -0.0110335 -0.00770492 -0.0105402 7
1955 143 H 27.0827 -0.760168 16.6499 0.0212288 0.00186875 -0.00449526 7
1956 144 H 27.3415 1.20472 20.4465 -0.0122345 0.0052103 -0.000478838 7
1957 145 H 33.3371 3.62737 19.7782 0.00659322 0.00880401 -0.00669645 7
1958 146 H 33.5181 3.63236 17.3375 -0.00605565 0.00977768 -0.0103307 7
1959 147 H 31.0891 3.68468 20.8781 0.00459366 0.00246338 -0.00386683 7
1960 148 H 25.8852 7.57893 19.0723 0.00755585 0.00885903 -0.00427762 7
1961 149 H 26.1256 7.55235 16.6491 -0.00171361 0.00643884 0.00545266 7
1962 150 H 28.9763 3.69295 15.7155 -0.00283043 0.0145158 0.00498375 7
1963 151 H 26.903 5.79705 20.4667 -0.0188747 -0.00494765 -0.00741792 7
1964 152 H 23.2934 3.25388 32.5772 0.00388283 0.0105189 0.000709846 7
1965 153 H 32.7431 2.71118 14.8409 -0.000929672 -0.00316511 -0.00659288 7
1966 154 H 31.0032 2.30117 14.6894 -0.0103243 0.010598 0.0143407 7
1967 155 H 32.5291 3.17311 12.6014 -0.00285913 0.00153085 -0.00433881 7
1968 156 H 32.1596 4.728 13.1875 -0.000806058 -0.00186945 0.00825518 7
1969 157 H 30.2428 4.75536 12.1127 0.00355108 0.00110161 0.00402333 7
1970 158 H 29.6399 3.46926 13.173 -9.80295e-05 0.00179643 0.0084 7
1971 159 H 29.4125 2.39577 11.2007 -0.00126916 0.00548185 0.00882739 7
1972 160 H 31.0709 1.88453 11.4364 0.00684611 0.00349196 0.00137235 7
1973 161 H 31.9005 3.46735 9.76809 0.00223066 0.00526728 0.0019586 7
1974 162 H 30.4253 4.39562 9.83179 0.00513203 0.0021141 0.00021236 7
1975 163 H 29.2729 2.29824 8.80838 0.000560234 -0.00510337 0.000442019 7
1976 164 H 30.9703 1.67479 8.59282 -0.00796177 -0.00500797 -0.00386695 7
1977 165 H 31.3918 3.9774 7.33353 3.70681e-05 -0.00358117 0.00101943 7
1978 166 H 29.6488 4.14989 7.46624 0.00423812 0.00940645 0.00921572 7
1979 167 H 29.293 2.06122 6.18172 0.000461165 -0.00253355 -0.00777871 7
1980 168 H 31.0214 1.82709 6.01644 -0.00347116 0.00345225 0.00106594 7
1981 169 H 31.3167 3.93612 4.8253 -0.00477998 0.00166193 0.00388312 7
1982 170 H 29.6557 4.27808 4.83717 -0.00135904 -0.00344962 -0.00840442 7
1983 171 H 29.2826 2.00619 3.57121 -0.00295252 0.010839 -0.00395053 7
1984 172 H 31.04 1.92905 3.52364 0.00631278 0.0123127 -0.00482888 7
1985 173 H 31.0267 4.20247 2.38545 0.00190167 0.00351492 0.00151638 7
1986 174 H 29.2981 3.94553 2.12284 0.00464859 -0.00517389 -0.00487696 7
1987 175 H 29.6243 2.061 0.771533 0.00170885 0.00269215 0.00487716 7
1988 176 H 31.4621 2.01414 1.16206 0.00622149 0.00949248 0.00467934 7
1989 177 H 30.7378 3.27168 0.23805 0.00349795 -0.00475937 -0.00359467 7
1990 178 H 29.2656 -0.460198 15.2126 -0.0035664 -0.0140015 -0.00951247 7
1991 179 H 27.7219 -0.605024 14.4007 0.0090197 -0.00501645 -0.00276735 7
1992 180 H 28.5225 1.03056 12.5631 0.00132106 -0.000566439 -0.00316449 7
1993 181 H 30.0801 1.02297 13.2271 -0.00163186 0.00614059 -0.0117146 7
1994 182 H 30.5011 -1.26033 12.9216 -0.00234337 1.04082e-05 0.00208037 7
1995 183 H 28.8369 -1.6628 12.6385 -0.00294774 0.00278512 0.00247295 7
1996 184 H 28.8387 -0.464262 10.447 0.00747867 0.00223773 0.000630769 7
1997 185 H 30.5107 0.0588819 10.7379 0.000670715 -0.00460614 -0.0155162 7
1998 186 H 31.1472 -2.32217 10.962 0.00527325 0.0070635 0.000871097 7
1999 187 H 29.6381 -2.89026 10.298 -0.000833655 0.00251556 -0.0143148 7
2000 188 H 31.6124 -0.853179 9.01032 0.00336353 0.00242324 -0.00721655 7
2001 189 H 31.6835 -2.55678 8.70482 -0.00166625 0.00523001 -0.00173289 7
2002 190 H 29.52 -2.47536 7.47609 0.00130432 -0.00137936 0.0032575 7
2003 191 H 29.2045 -0.832305 8.1051 0.00198965 -0.000557178 0.0167862 7
2004 192 H 31.2519 -0.0245564 6.95185 0.00682076 -0.00457681 -0.0077375 7
2005 193 H 31.7103 -1.6362 6.46212 0.00307449 0.00144131 -0.00127479 7
2006 194 H 29.1127 -0.22593 5.60978 -0.00446252 0.00295635 -0.00978114 7
2007 195 H 30.6441 -0.0336034 4.72336 -0.0157978 -0.00869636 -0.0266229 7
2008 196 H 30.6636 -2.71424 4.53604 0.00175609 0.00209551 -0.0120665 7
2009 197 H 29.1393 -2.75175 5.27211 0.00131857 -0.00160933 -0.000535284 7
2010 198 H 28.7882 -2.85041 2.79779 0.0202937 -0.0025983 -0.00912095 7
2011 199 H 28.2177 -1.27875 3.25897 -0.00237085 0.00370421 -0.00454785 7
2012 200 H 31.0544 -1.86625 2.04933 0.00212393 0.00498461 -0.000760206 7
2013 201 H 29.729 -1.21107 1.19606 0.0073648 -0.00304344 -0.00659761 7
2014 202 H 30.4759 -0.268135 2.54909 0.007477 -0.00174236 0.00656116 7
2015 203 H 27.0977 3.96525 14.6956 -0.00146904 -0.00498594 -0.00623319 7
2016 204 H 25.8534 5.2462 14.5087 0.000442226 0.0028047 0.00193995 7
2017 205 H 26.9961 6.21762 12.562 -0.0246395 -0.0122661 -0.00673996 7
2018 206 H 28.4927 5.41715 13.0621 -0.00115419 0.000944251 -0.00433245 7
2019 207 H 27.4937 3.21389 12.3729 0.00195452 0.00266792 0.0193386 7
2020 208 H 25.9861 4.00153 12.0351 -0.000995773 0.00467978 -0.00273852 7
2021 209 H 28.4636 5.02786 10.575 -0.00827976 0.0102683 -0.00508337 7
2022 210 H 27.7243 3.52823 9.98461 0.00420657 -0.00075729 0.00243306 7
2023 211 H 25.5404 4.93723 9.99825 -0.00568368 0.0136594 0.000206735 7
2024 212 H 26.5477 6.3651 10.1679 -0.00215935 -0.00283614 0.011578 7
2025 213 H 27.7967 5.85933 8.08739 -0.00350067 -0.00034336 -0.0081659 7
2026 214 H 26.9536 4.30031 7.96069 -0.0086441 0.00118505 -0.0119357 7
2027 215 H 24.8943 5.27605 7.42586 0.00834014 -0.00507818 -0.0050837 7
2028 216 H 25.3878 6.93029 7.85969 0.0162337 0.0076493 -0.00701702 7
2029 217 H 25.3679 6.6147 5.36282 -0.00175789 0.000110728 -0.000131964 7
2030 218 H 26.9609 7.02424 5.95029 0.00721838 -0.00935906 -0.00130168 7
2031 219 H 27.6641 4.65552 5.82912 -0.0113398 -0.0227624 0.0100595 7
2032 220 H 26.0148 4.19574 5.32286 0.00569199 -0.00169777 -0.00228952 7
2033 221 H 28.0524 5.83486 3.67107 -0.00194758 -0.000170088 -0.00859939 7
2034 222 H 27.5187 4.1945 3.41993 -0.000171755 -0.00648794 0.0117835 7
2035 223 H 25.0768 5.19628 3.28513 0.0116984 -0.0122326 0.010531 7
2036 224 H 25.9538 6.76126 2.96751 -0.00981484 -6.47437e-06 0.00626504 7
2037 225 H 26.3309 4.18552 1.43275 0.00258478 -0.00281994 0.0226869 7
2038 226 H 25.3827 5.56426 0.788873 0.0058596 0.0043062 0.00262234 7
2039 227 H 27.1158 5.71521 1.0587 0.00386839 -0.0103806 -0.00216934 7
2040 228 H 18.9191 4.63418 33.0305 -0.00511516 -0.000781954 -0.0160844 7
2041 229 H 18.5699 2.88917 32.8714 0.00902454 -0.00067482 -0.00726537 7
2042 230 H 19.7777 2.35679 35.013 0.00724643 0.00226938 -0.000565082 7
2043 231 H 20.4064 3.98027 35.0434 0.00167782 -0.00153768 -0.00406754 7
2044 232 H 18.1523 4.88284 35.4412 0.00808951 -0.00206815 0.0118518 7
2045 233 H 17.3997 3.31322 35.4248 -0.00832233 0.00999909 0.00226131 7
2046 234 H 18.6573 2.56777 37.4134 0.0106454 -0.00585251 -0.00634867 7
2047 235 H 19.5192 4.15785 37.4453 0.0017596 -0.00823455 0.00358796 7
2048 236 H 17.1838 5.22403 37.6802 0.00170049 -0.00189254 -0.0099604 7
2049 237 H 16.5373 3.55456 37.8556 0.00945154 -0.0118922 0.00561035 7
2050 238 H 18.7045 4.7479 39.7389 4.82806e-05 0.00565345 -0.00821918 7
2051 239 H 17.0226 4.93898 40.0972 -0.00689588 -0.00182366 -0.00504429 7
2052 240 H 16.8436 2.35564 40.3987 -0.00645066 0.0110255 0.0138985 7
2053 241 H 18.4423 2.23208 39.6662 0.000302388 0.00025085 0.00217256 7
2054 242 H 18.9224 1.94715 41.8177 -0.00430305 -0.00462099 -0.00541038 7
2055 243 H 19.4349 3.62402 41.5945 0.00133023 0.000795384 0.00642043 7
2056 244 H 17.4658 4.37798 42.8733 0.00893962 -0.000144819 -0.00895023 7
2057 245 H 16.749 2.73393 42.8379 -0.00737045 0.0121129 -0.00419232 7
2058 246 H 18.7867 1.90271 44.005 0.019305 -0.000281307 0.00908875 7
2059 247 H 19.4017 3.54839 44.1285 0.00475084 -0.00402442 -0.0102199 7
2060 248 H 17.3799 4.261 45.4481 -0.00359955 0.00233558 0.001274 7
2061 249 H 16.7997 2.56621 45.3939 0.00631121 -0.00481168 0.00208283 7
2062 250 H 17.7613 2.93062 47.5048 -0.0116406 -0.00790233 -0.00456849 7
2063 251 H 18.9574 1.91253 46.5365 0.00567063 0.0073082 -0.0150802 7
2064 252 H 19.1926 3.64538 46.7856 -0.00187159 -0.00218557 0.0138449 7
2065 253 H 26.3179 6.98869 33.1095 -0.00124042 -0.010541 -0.000499459 7
2066 254 H 24.9267 7.9854 33.4038 -0.00207143 0.0066273 0.0150072 7
2067 255 H 24.4822 7.10686 35.616 -0.00273916 0.0090186 0.0151057 7
2068 256 H 26.0224 6.13265 35.6647 -0.00433241 -0.00051566 0.000189329 7
2069 257 H 27.4419 7.94452 35.6966 0.00260071 -0.00267258 -0.00583865 7
2070 258 H 26.3137 9.1035 34.949 0.00769806 -0.00349384 0.00696095 7
2071 259 H 26.7873 9.63547 37.241 0.00328889 -0.00167305 -0.00838548 7
2072 260 H 25.083 9.43862 36.999 -0.00739994 -0.0130151 0.00596502 7
2073 261 H 25.0429 7.29463 38.1911 -0.00622237 0.00234456 -0.00507879 7
2074 262 H 26.7936 7.17613 38.2568 0.00139015 0.00711986 0.00499273 7
2075 263 H 26.7595 9.32857 39.6768 0.00453942 -0.00419666 -0.0183807 7
2076 264 H 25.0656 9.45917 39.4817 0.00071095 1.243e-05 -0.00186909 7
2077 265 H 24.7578 7.20794 40.7163 0.00068561 -0.00438452 -0.00653368 7
2078 266 H 26.5439 7.13525 40.8309 -0.00859988 -0.00853462 -0.0161495 7
2079 267 H 26.6067 9.20102 42.2231 -0.00179783 0.000589949 -0.0102911 7
2080 268 H 24.8058 9.32294 42.1719 -0.00131317 -0.00207232 -0.00323793 7
2081 269 H 24.6921 7.08007 43.2079 -0.00281873 0.00484076 -0.00912568 7
2082 270 H 26.4201 7.09639 43.3811 -0.00697933 -0.0107359 0.0123797 7
2083 271 H 26.0676 9.32874 44.7061 0.00801232 -0.0103002 -0.00818069 7
2084 272 H 24.3313 8.97378 44.6317 0.000947479 0.00421369 -0.00894012 7
2085 273 H 24.831 6.76866 45.9017 -0.00800269 0.00799728 -0.0197705 7
2086 274 H 26.5338 7.32937 45.9165 0.00379841 0.00404016 0.00542736 7
2087 275 H 25.3085 7.93999 48.1613 -0.00267086 -0.0089383 -0.00357427 7
2088 276 H 25.9905 9.27048 47.246 0.00266213 -0.00352344 0.00205093 7
2089 277 H 24.2532 8.93224 47.1786 0.00664701 0.00303235 0.00400806 7
2090 278 H 24.9343 -1.04704 33.2476 0.000558609 -0.000874581 -0.0013882 7
2091 279 H 26.3796 -0.0164188 33.4197 0.00806003 -0.00106822 0.0123636 7
2092 280 H 24.2842 -0.0661031 35.6031 -0.000700776 0.00523788 -0.00703598 7
2093 281 H 25.7853 0.808229 35.5794 0.00656958 -0.00806569 -0.00182207 7
2094 282 H 27.0636 -1.44343 35.4937 0.0053659 0.00543429 -0.00131404 7
2095 283 H 25.6021 -2.28011 35.2748 -0.00208788 0.00151979 0.00541195 7
2096 284 H 26.6926 -2.33034 37.5681 -0.00268486 -0.00193009 0.00439769 7
2097 285 H 24.9887 -2.14939 37.4929 0.00711846 -0.0155523 0.00123966 7
2098 286 H 25.041 0.17476 38.0831 0.00850065 0.0065636 -0.00498721 7
2099 287 H 26.8121 0.249451 38.0617 0.0011218 0.00686714 0.00513067 7
2100 288 H 27.0218 -1.23541 40.0096 -0.00231746 -0.00419039 0.00140824 7
2101 289 H 25.3223 -1.77455 39.8892 0.000817661 -0.00392907 -0.004812 7
2102 290 H 24.7847 0.730297 40.429 0.00126603 0.00102822 -0.0111858 7
2103 291 H 26.5059 0.92083 40.77 -0.00466492 0.00497354 0.00513086 7
2104 292 H 24.5944 -1.02986 42.1398 -0.00421747 -0.00101372 0.00325571 7
2105 293 H 24.9729 0.620856 42.6923 0.0208951 0.000202139 0.0089998 7
2106 294 H 27.4099 -0.193443 43.1184 -0.0093425 0.00411025 0.0113957 7
2107 295 H 26.9255 -1.73929 42.4724 0.0122509 0.000968923 -0.0103263 7
2108 296 H 26.9693 -1.75932 44.9155 -0.0037412 -0.00031092 0.0105422 7
2109 297 H 25.3478 -2.10026 44.2645 0.0148957 -0.0123877 -0.00493338 7
2110 298 H 24.6994 0.23531 44.9004 -0.00418773 -0.00955155 -0.00617987 7
2111 299 H 26.3101 0.681714 45.2662 0.0131721 -0.00747816 -0.00859955 7
2112 300 H 24.9138 0.231269 47.2965 0.00472689 0.0024896 0.00411276 7
2113 301 H 26.2027 -1.01956 47.2185 -0.00612378 -0.0107683 -0.00614561 7
2114 302 H 24.5457 -1.42378 46.7212 0.00622252 -0.00573504 -0.00206512 7
2115 1 C 28.9364 13.7853 30.7973 -0.00447693 -0.00291612 -0.00305093 8
2116 2 C 29.1148 13.763 29.3916 -0.000907345 0.00274009 -0.00301519 8
2117 3 C 28.6626 12.6263 28.6724 -0.00763504 0.0036042 8.45478e-05 8
2118 4 C 28.1204 11.5413 29.3876 -0.002538 0.00102833 -0.000894248 8
2119 5 C 27.9439 11.6132 30.8039 -0.00152046 -0.00180276 0.00521763 8
2120 6 C 28.3934 12.7361 31.5619 -0.00186072 0.000409932 0.00260706 8
2121 7 C 23.5636 10.1631 30.387 0.00233135 -0.00113399 -0.00094297 8
2122 8 C 23.6711 10.2374 28.9685 -0.0030288 0.00310677 -0.00359685 8
2123 9 C 24.916 10.2115 28.3527 0.00173642 -0.00469905 0.000267462 8
2124 10 C 26.0489 10.2581 29.1786 -0.00256197 0.00293149 -0.00208113 8
2125 11 C 25.9079 10.3131 30.5839 -0.000642629 -0.00243602 0.00272723 8
2126 12 C 24.649 10.2593 31.2369 0.00335943 0.00372511 -0.000150464 8
2127 13 C 29.0381 6.95034 31.027 0.00278146 0.00124916 0.00116278 8
2128 14 C 29.12 6.86085 29.6391 -0.00106392 0.00144661 -0.00109441 8
2129 15 C 28.6043 7.91122 28.8936 8.40564e-05 -8.10591e-05 0.00204593 8
2130 16 C 28.0856 9.08268 29.4711 0.00158366 0.000951656 0.0036208 8
2131 17 C 27.5117 10.2884 28.7324 -0.00689171 -0.000879268 -0.00454625 8
2132 18 O 28.3456 8.07659 33.0542 -0.00110041 -0.00507013 0.0017783 8
2133 19 O 24.5525 10.2402 32.6606 -0.000240938 -0.00226211 0.000237006 8
2134 20 O 28.2406 12.8868 32.9398 -0.000907341 3.86677e-05 -0.0028873 8
2135 21 C 28.4718 8.05791 31.6778 0.00487725 0.00251846 -0.00415373 8
2136 22 C 27.7934 10.1877 27.2871 0.000853739 -0.000907336 -0.00114372 8
2137 23 C 28.3468 10.1122 26.2167 0.000408373 0.00231572 0.00157708 8
2138 24 C 29.1157 10.0565 25.0035 0.00142893 -0.00233897 -0.00123171 8
2139 25 C 29.2516 11.2031 24.2505 0.00479958 -0.00123921 0.000694239 8
2140 26 C 30.1789 11.2596 23.2145 0.00347312 0.000977846 0.000860984 8
2141 27 C 30.9654 10.124 22.9183 -0.000564032 -0.00189627 -0.00091532 8
2142 28 C 30.7865 8.93571 23.6543 -0.000695749 -0.000198695 -0.000920552 8
2143 29 C 29.8745 8.891 24.734 -0.0024502 -0.00192303 0.00420781 8
2144 30 C 31.7513 10.0796 21.738 -0.000865036 0.000438953 0.0041607 8
2145 31 C 32.2023 10.0811 20.6239 0.00139075 0.000551029 -0.00113847 8
2146 32 C 30.5895 7.01153 18.0756 0.00234499 -0.00243818 0.00384003 8
2147 33 C 30.819 7.10308 16.6697 -0.00412608 0.00295667 0.0003637 8
2148 34 C 31.6369 8.09991 16.1488 -0.000784295 -0.00349152 0.00201564 8
2149 35 C 32.16 9.08756 16.987 0.000705433 -0.00590305 0.00196576 8
2150 36 C 31.8754 9.02718 18.3768 -0.00232085 -0.00364641 0.000974141 8
2151 37 C 31.1689 7.97822 18.9338 0.00431337 -0.000345305 0.00462384 8
2152 38 C 32.5151 10.1359 19.1883 0.00338316 0.000406335 0.00271114 8
2153 39 C 36.394 10.0629 19.2057 0.000388564 0.00129637 -0.00142769 8
2154 40 C 36.6532 10.1974 17.8298 -0.000395193 0.00168265 0.000108291 8
2155 41 C 35.5796 10.2307 16.9292 -0.00376904 0.000904962 -0.0051174 8
2156 42 C 34.2671 10.1693 17.422 0.000582696 -0.00119095 5.61004e-05 8
2157 43 C 34.0245 10.0971 18.797 -5.74213e-05 0.00190021 -4.33156e-06 8
2158 44 C 35.0933 10.026 19.6905 -0.000859704 3.16637e-05 -0.00187737 8
2159 45 C 31.3672 13.7964 18.5655 0.00052009 -0.00283641 0.000508822 8
2160 46 C 31.5594 13.8085 17.1631 0.000179627 0.0026113 -0.00278485 8
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2203 89 C 34.8188 13.4417 6.30666 0.000574036 -0.000916535 0.000851183 8
2204 90 C 34.3286 13.9402 4.92891 0.000145311 0.000623689 -0.00334509 8
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2206 92 C 34.4748 13.9763 2.40737 0.00104895 0.00337754 0.00286977 8
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2209 95 C 23.3297 9.90533 34.7883 -0.00417971 0.00334468 0.00402071 8
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2212 98 C 22.3682 10.3575 37.8724 -0.000170201 -0.00265556 -0.000772549 8
2213 99 C 21.4821 10.1206 39.1203 0.00186262 0.00183472 -2.80832e-05 8
2214 100 C 22.2377 9.86749 40.4304 0.00781428 -0.00264907 0.00163116 8
2215 101 C 21.2161 9.79556 41.5825 -0.00193326 0.00031087 0.000661375 8
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2225 111 C 29.7083 14.8349 40.0487 0.00248323 0.000312045 -0.00158455 8
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2228 114 C 28.6161 15.3828 43.7799 -0.00331774 0.00148787 0.00145315 8
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2233 119 C 29.1833 6.09334 34.2872 0.00123056 0.00360608 0.00438224 8
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2240 126 C 29.9442 5.82376 43.3076 -0.00204605 -0.00122219 -0.00137302 8
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2242 128 C 29.794 5.62987 45.8135 0.00234107 0.00249363 -0.0036079 8
2243 129 C 28.962 5.94664 47.054 0.000502103 -0.000653004 -0.00255487 8
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2302 188 H 32.328 7.28971 8.54348 -0.00345649 0.0159158 -0.00127266 8
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2304 190 H 31.4708 8.66574 6.78951 -0.00931343 0.00198618 0.00954821 8
2305 191 H 31.7364 7.0135 6.2294 -0.000464719 -0.00870651 0.0107133 8
2306 192 H 29.2507 6.51865 6.40399 0.0112562 -0.00534157 0.00521666 8
2307 193 H 28.9758 8.15815 7.03702 -0.000258094 0.00997866 -0.00253287 8
2308 194 H 28.3794 7.86035 4.55458 -0.002104 -0.0127444 -0.000587842 8
2309 195 H 29.5683 9.17214 4.95166 0.000157006 -0.000632954 0.001496 8
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2326 212 H 34.329 15.486 9.84319 0.00776419 -0.00247699 0.01284 8
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2344 230 H 23.3046 8.86698 35.1413 0.0207739 0.00441408 0.00894551 8
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2362 248 H 20.5455 9.47711 46.2471 0.00948479 -0.000306138 0.00852464 8
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2365 251 H 22.3543 11.0769 46.7539 -0.00417587 0.0081616 0.00486635 8
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2373 259 H 29.7327 13.4497 37.5277 -0.00654051 0.00261598 0.00781111 8
2374 260 H 30.7101 14.9062 37.3302 0.00067141 0.00165791 0.00372639 8
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2377 263 H 29.7858 13.7407 40.0447 -0.0065284 -0.000359852 0.00848297 8
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2379 265 H 28.7517 16.3323 41.0612 9.31363e-06 0.00086093 0.00209259 8
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2382 268 H 30.4574 15.5512 42.6482 0.0108704 -0.0089638 -0.00299794 8
2383 269 H 28.5783 16.479 43.7599 0.00548519 0.00170952 -0.00357282 8
2384 270 H 27.5813 15.039 43.6606 -0.00323639 -0.000312371 0.00594543 8
2385 271 H 29.3108 13.763 45.0512 0.0150046 0.000976215 -0.00588777 8
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2425 9 C 29.0028 3.48556 28.444 0.00846229 -0.0029013 0.00021385 9
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2438 22 C 31.8549 3.38948 27.5084 0.00118868 -0.0050218 0.00247122 9
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2443 27 C 34.6445 3.39062 22.9075 -0.00286346 -0.000196591 0.00314302 9
2444 28 C 33.6939 4.38264 23.0959 -0.00259881 0.00163222 0.00210432 9
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2446 30 C 35.4645 3.40408 21.751 -0.000363271 -0.00114307 0.0047519 9
2447 31 C 36.0432 3.42393 20.6927 -0.00241594 -0.00542957 0.00264377 9
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2455 39 C 40.2992 3.83557 19.2456 -0.000107143 -0.00208624 0.00678786 9
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2459 43 C 37.9301 3.50582 18.8929 -0.00163464 0.00187252 0.000830117 9
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2502 86 C 34.7544 4.76235 9.4786 0.000977977 0.000159833 -0.00240091 9
2503 87 C 34.2469 5.26569 8.11487 -0.00373222 -0.00274497 0.000947076 9
2504 88 C 34.6875 4.51116 6.88578 -0.00109232 0.000627537 -0.000649758 9
2505 89 C 34.1172 5.16472 5.60993 0.000739106 0.00425718 -0.00147221 9
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2512 96 C 25.2994 3.50482 35.1955 -0.00057611 0.00158431 -0.00242312 9
2513 97 C 25.1709 3.15427 36.7163 0.00261599 0.00246623 0.00351501 9
2514 98 C 25.7269 4.10356 37.7523 0.0006052 -0.00459374 -0.00416219 9
2515 99 C 25.5807 3.40669 39.1386 0.00236099 -0.00244545 0.00165488 9
2516 100 C 25.6896 4.36504 40.3551 -0.000346708 0.000985497 0.00209458 9
2517 101 C 25.7189 3.50947 41.6369 0.000582177 0.00139043 -0.00188566 9
2518 102 C 25.6971 4.27481 42.9594 -1.64461e-06 0.0023265 -0.0029234 9
2519 103 C 25.7379 3.33366 44.1772 -0.00201696 -0.00249542 -0.000537864 9
2520 104 C 25.6876 4.09565 45.5058 -0.00435236 0.00227628 0.000970734 9
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2524 108 C 33.9025 8.70552 35.6199 -0.00370004 0.000817747 0.00132827 9
2525 109 C 33.9187 9.17401 37.0924 0.00242627 0.00182984 0.002299 9
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2530 114 C 34.1377 9.0129 42.8473 -0.000673522 0.00091379 -0.00249087 9
2531 115 C 33.6903 9.43456 44.2832 0.00119044 0.0012866 0.00232949 9
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2533 117 C 33.4972 8.76705 46.7372 -0.00124115 0.000502764 -0.00448481 9
2534 118 C 32.9654 0.206398 34.144 -0.000312194 0.000586078 0.00054355 9
2535 119 C 32.4252 0.232367 35.5856 -0.00525278 0.000205898 -0.00226282 9
2536 120 C 33.3039 -0.60446 36.5595 -0.00207446 -0.000619862 -0.000432759 9
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2539 123 C 34.2736 0.0600342 40.2893 -0.000243288 -0.00381135 0.00111132 9
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2542 126 C 33.1001 -1.37641 43.7495 -0.00296162 0.0019556 0.00208001 9
2543 127 C 34.1691 -0.577636 44.5957 0.000352021 0.000568642 0.00136124 9
2544 128 C 34.2231 -1.01163 46.088 -0.000173679 -0.00221007 0.00155366 9
2545 129 C 33.1448 -0.422496 46.9785 0.00691353 -0.00231538 -0.000898541 9
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2650 234 H 24.0945 3.06064 36.9058 0.00444618 -0.0147849 0.00530468 9
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2665 249 H 24.6946 4.54 45.6471 -0.00158059 0.00865542 0.000450352 9
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2667 251 H 25.2879 2.4991 46.9528 -0.00610058 0.00301556 -0.0159913 9
2668 252 H 27.0372 2.72683 46.5196 0.00663574 0.00965872 0.00437064 9
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2671 255 H 31.9385 7.79854 35.6435 2.63065e-05 0.00600458 0.00710351 9
2672 256 H 33.2391 6.65513 35.8566 -0.0131598 0.000909874 0.00830514 9
2673 257 H 34.9293 8.36423 35.4395 -0.00926282 -0.0164327 0.00229516 9
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2675 259 H 34.7276 9.90249 37.2282 0.00815615 -0.0077837 0.0196665 9
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2678 262 H 34.9488 7.58335 38.0978 0.00351904 0.00429568 0.00876185 9
2679 263 H 34.8832 9.27821 39.7608 -0.0088196 0.00144165 -0.00960784 9
2680 264 H 33.1662 9.58446 39.5723 -0.00687631 -0.00883602 -0.00178109 9
2681 265 H 32.751 7.13675 40.2771 -0.0055083 0.00790174 0.00392057 9
2682 266 H 34.3966 7.06581 40.9153 0.00344765 -0.00138269 -0.0118838 9
2683 267 H 32.316 9.16924 41.7617 0.00350255 -0.00252712 -0.0140805 9
2684 268 H 32.5201 7.59673 42.5224 0.00606101 0.00114989 0.00698493 9
2685 269 H 34.9978 8.33901 42.9452 0.00833473 0.0141791 0.00998384 9
2686 270 H 34.577 9.88893 42.3544 -0.0159378 0.00431618 -0.00997542 9
2687 271 H 34.5353 9.98818 44.7109 -0.000433741 -0.00034723 0.00765587 9
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2689 273 H 32.4314 7.82318 45.0531 0.00103328 0.00221582 -0.0161478 9
2690 274 H 34.0983 7.44615 45.0339 -0.00123486 -0.000748464 -0.00140741 9
2691 275 H 34.481 9.17304 47.0029 -0.00974234 0.0100098 0.0125347 9
2692 276 H 32.7716 9.57661 46.8842 0.00120458 0.000431144 0.0078705 9
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2696 280 H 31.4225 -0.212513 35.5962 -0.00896218 0.00903373 0.0158542 9
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2702 286 H 34.9023 -0.969833 38.5535 0.00190134 0.0049269 0.00564468 9
2703 287 H 33.737 -1.88813 39.4646 0.00537288 0.00447939 0.0138299 9
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2705 289 H 35.3133 -0.0876107 40.6063 0.00168869 0.00237312 -0.00236001 9
2706 290 H 32.3202 0.0252947 41.196 0.00361973 -0.00706407 -0.013966 9
2707 291 H 33.6207 0.688876 42.2413 -0.00528213 -0.0107198 0.00917221 9
2708 292 H 34.4948 -1.84645 42.2029 -0.0047843 -0.0107761 0.018368 9
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2710 294 H 32.9794 -2.4133 44.0867 0.00729965 0.00510756 0.015391 9
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2713 297 H 35.1693 -0.739533 44.1752 0.00423372 0.0178717 0.00396467 9
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2715 299 H 34.1813 -2.10659 46.1401 -0.00518981 -0.00197234 0.00252709 9
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2717 301 H 33.2927 -0.705236 48.0281 -0.00729326 -0.00185497 0.0012415 9
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2720 2 C 37.1203 13.4654 29.7183 0.00564898 -0.00159464 0.00500508 10
2721 3 C 36.4799 12.4138 29.0693 0.00280002 -0.00058855 -0.000150847 10
2722 4 C 35.9244 11.4092 29.8451 -0.00287971 0.00217024 -0.00463114 10
2723 5 C 35.8196 11.5247 31.2585 -0.00118781 0.00435392 0.00334061 10
2724 6 C 36.4502 12.6336 31.9044 0.00165797 0.00196917 0.000883901 10
2725 7 C 31.2617 10.472 30.6674 0.000217389 0.00316734 5.62166e-05 10
2726 8 C 31.4294 10.3878 29.2996 -7.84987e-05 0.00224152 -0.00387261 10
2727 9 C 32.7095 10.3961 28.795 0.00320055 -0.000565799 -0.00579915 10
2728 10 C 33.7895 10.3612 29.6688 0.000583476 -0.00250497 -0.00200631 10
2729 11 C 33.6499 10.4006 31.0731 0.00126986 0.000633376 0.00181585 10
2730 12 C 32.351 10.489 31.5677 -0.00331919 0.00090641 -0.0015936 10
2731 13 C 37.0998 6.9632 31.4181 0.000241473 0.002417 -0.00342556 10
2732 14 C 37.1673 6.94389 30.004 0.00343209 0.00350646 -0.000558456 10
2733 15 C 36.4731 7.91156 29.3335 -0.00272649 0.00369594 0.00196348 10
2734 16 C 35.8038 8.96602 29.9839 -0.00553336 0.000455176 -0.0035952 10
2735 17 C 35.2498 10.1664 29.2272 0.00279063 0.00244557 0.000715163 10
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2738 20 O 36.3643 12.832 33.2772 -0.00019678 -0.00216405 -0.00245466 10
2739 21 C 36.3285 7.95262 32.113 0.00147942 -0.00131955 0.000788841 10
2740 22 C 35.5124 10.1041 27.7976 -0.00110431 -0.00323187 0.00165074 10
2741 23 C 35.991 10.0506 26.6987 -0.00264876 0.00411616 0.00381036 10
2742 24 C 36.7711 10.0938 25.5365 0.00252058 0.00093388 0.00498233 10
2743 25 C 36.4801 9.27445 24.4296 0.00207618 -0.00423871 -0.000623739 10
2744 26 C 37.3494 9.28584 23.3338 -0.00200205 0.00588597 0.00271836 10
2745 27 C 38.5165 10.084 23.3352 0.00154981 -0.00284834 0.0021163 10
2746 28 C 38.7978 10.8804 24.4482 -0.00149542 -0.00256543 -0.00274166 10
2747 29 C 37.9307 10.8734 25.5326 -0.00441269 0.00145267 0.00332706 10
2748 30 C 39.2856 10.1057 22.1102 0.00117003 0.00132969 -0.00134602 10
2749 31 C 39.8298 10.0741 21.0454 0.00508702 0.00172857 -0.001675 10
2750 32 C 38.4721 6.84739 18.5762 -0.00268496 0.00172898 -0.00217967 10
2751 33 C 38.7142 6.92353 17.1758 0.00333975 -0.00327952 -0.00386463 10
2752 34 C 39.4943 7.99091 16.6737 -0.000180566 -0.0035285 -0.00105068 10
2753 35 C 39.99 8.9591 17.5078 8.66054e-05 0.00023992 -0.00377233 10
2754 36 C 39.7364 8.90793 18.912 0.00330793 0.00101157 0.00217927 10
2755 37 C 38.9636 7.82216 19.4319 0.0067244 0.00156921 -0.000719566 10
2756 38 C 40.2943 10.1076 19.6582 0.00195347 -0.00017993 -0.00163991 10
2757 39 C 44.177 10.1427 19.7317 0.00344623 0.00436732 0.00063113 10
2758 40 C 44.4317 10.1706 18.3615 0.00542186 -0.00119778 -5.95029e-05 10
2759 41 C 43.3732 10.142 17.4298 -0.00166174 0.00216305 -0.000174253 10
2760 42 C 42.0694 10.197 17.9195 -0.000467651 0.00180952 0.000274227 10
2761 43 C 41.7773 10.1461 19.3149 0.00180049 0.0020192 0.00164189 10
2762 44 C 42.865 10.1285 20.2242 -0.00278463 -0.00245527 -0.00511551 10
2763 45 C 38.9186 13.6125 18.6636 -0.00204978 -0.00108508 -0.000742488 10
2764 46 C 39.0999 13.5518 17.2788 0.00195611 0.00256043 -0.00161306 10
2765 47 C 39.6409 12.4076 16.6793 0.00246941 7.98571e-05 0.00341696 10
2766 48 C 40.067 11.3766 17.4932 -0.00214432 0.000669504 0.00175189 10
2767 49 C 40.818 10.1538 17.0481 -0.002906 -0.00381179 -0.00227487 10
2768 50 C 39.815 11.3738 18.8758 -0.00293584 0.00130531 -0.0016484 10
2769 51 C 39.2421 12.5059 19.471 0.00192816 0.00316844 0.00240862 10
2770 52 O 43.5867 10.1013 16.0765 0.00426485 -0.0017268 -0.00248301 10
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2772 54 O 39.9161 12.2954 15.3312 0.000862731 0.00356278 0.0021162 10
2773 55 C 35.0013 10.3629 31.8927 -0.0017989 0.000648899 -0.002248 10
2774 56 C 35.6984 9.0456 31.3916 0.00451044 -0.00469765 0.00233776 10
2775 57 C 44.7847 9.54543 15.5061 -0.00346235 -0.00251618 0.00254984 10
2776 58 C 44.7359 9.81774 13.9859 -0.00165668 -0.00119891 0.000235078 10
2777 59 C 44.1986 8.69601 13.1417 0.000601279 0.00178387 0.00301047 10
2778 60 C 42.7343 8.82487 12.9492 3.1361e-05 -0.00184159 -0.00121243 10
2779 61 C 42.2955 9.7755 11.805 -0.00112523 -0.00244503 0.00029225 10
2780 62 C 42.5433 9.22611 10.364 0.00407945 0.00421674 0.00433492 10
2781 63 C 41.7931 10.0053 9.29629 0.00546124 0.000805148 0.00491657 10
2782 64 C 42.4706 10.0988 7.90195 0.00153925 -0.00186987 -0.000993143 10
2783 65 C 41.4186 10.4104 6.82756 -0.00396281 -0.00112824 0.00194369 10
2784 66 C 41.9931 10.8646 5.46945 0.00171088 -0.00232468 0.00165854 10
2785 67 C 42.3883 9.69811 4.54767 -0.000997862 0.00163775 0.00612686 10
2786 68 C 42.6629 10.2028 3.16876 -0.000738693 -0.000121375 -0.00198445 10
2787 69 F 36.9729 8.55884 22.2634 0.00035245 -0.00120672 -0.00202578 10
2788 70 C 39.2183 7.20927 14.3504 0.00209149 0.00251813 0.000533714 10
2789 71 C 39.2897 7.85264 12.9962 0.00613392 -0.00198382 -0.00120851 10
2790 72 C 38.7916 7.01433 11.8156 0.000403003 -0.000877616 -0.00272701 10
2791 73 C 38.7964 7.80211 10.5048 -0.00294899 -0.00175916 -0.00269463 10
2792 74 C 38.3565 6.95237 9.315 0.00302722 0.000329372 0.00340476 10
2793 75 C 38.3107 7.69227 7.97791 0.00325337 0.00270522 0.000634763 10
2794 76 C 37.9199 6.84364 6.75526 -0.000470834 -0.00146835 -0.00177135 10
2795 77 C 38.1494 7.64632 5.42956 -0.00347966 0.0012024 -0.00306926 10
2796 78 C 38.3255 6.66738 4.26487 0.00223541 0.00211211 -0.00210784 10
2797 79 C 38.8444 7.25267 2.9335 0.000553825 0.00383069 5.13803e-05 10
2798 80 C 37.8113 7.9879 2.06615 0.00192744 0.000379941 0.00271485 10
2799 81 C 36.8095 7.01197 1.43481 -0.00102041 0.00299681 -5.8051e-05 10
2800 82 C 40.5605 13.3448 14.6805 -4.00419e-05 -0.00276431 0.00152326 10
2801 83 C 41.0382 12.881 13.3124 -0.0053991 0.00570961 -0.0051004 10
2802 84 C 41.4008 14.1435 12.4816 0.00354339 0.00350933 0.00121083 10
2803 85 C 41.5909 13.974 10.9473 -0.0016026 0.000516241 0.000991994 10
2804 86 C 42.1026 15.2316 10.2272 -0.000156749 0.00253891 0.000837156 10
2805 87 C 42.3648 15.0308 8.73191 0.00107265 -0.000502829 0.0019361 10
2806 88 C 41.4161 14.0713 8.01898 -0.00149532 -0.000814218 -0.000802114 10
2807 89 C 41.3543 14.279 6.47012 -1.67663e-05 0.00164495 0.00084843 10
2808 90 C 42.7075 14.5609 5.79543 0.000737084 -0.00383684 0.00175311 10
2809 91 C 42.6705 14.2858 4.26589 -0.00167145 -1.46195e-05 0.000543354 10
2810 92 C 41.4495 14.7702 3.47255 -0.00140163 0.00309452 0.00156578 10
2811 93 C 41.5381 14.2197 2.05468 0.00165708 -0.00156709 0.00319629 10
2812 94 C 30.6915 10.711 33.4687 -0.000252913 -0.00044655 -4.1282e-05 10
2813 95 C 30.8038 10.7254 35.0107 0.000257749 0.00185294 0.00285532 10
2814 96 C 29.6483 10.4703 36.0298 -0.00173967 0.000893688 0.000384764 10
2815 97 C 30.2644 10.1052 37.3848 0.000273848 -0.00214144 -0.000321878 10
2816 98 C 29.3906 9.95315 38.641 0.00164736 -0.000687083 -0.000727594 10
2817 99 C 30.2905 9.58101 39.782 -0.000774706 -0.00165509 0.000424134 10
2818 100 C 29.5666 9.49816 41.1634 0.000245847 -0.00220583 -0.00154136 10
2819 101 C 29.264 10.8854 41.8199 -0.00109971 -0.00224519 0.00135922 10
2820 102 C 29.5499 10.8256 43.3239 -0.000420324 0.000649985 -0.00355806 10
2821 103 C 28.4798 10.1661 44.2022 -0.000237349 -2.52414e-05 0.0018491 10
2822 104 C 28.8448 10.2724 45.6855 -0.00381665 -0.00270722 0.00144897 10
2823 105 C 30.0986 9.56221 46.1288 0.00199047 0.00238335 0.000330636 10
2824 106 C 36.9683 14.0664 33.8319 0.000581493 -0.00488627 -0.00094489 10
2825 107 C 36.8262 14.2929 35.3351 0.00222949 -0.00265133 -0.000246264 10
2826 108 C 37.603 15.538 35.8628 0.00375149 0.00021997 0.00163899 10
2827 109 C 37.2797 15.9312 37.3565 -0.00123447 0.00363664 -0.00206696 10
2828 110 C 37.1871 14.7053 38.3363 0.000544208 0.00199948 -0.00448965 10
2829 111 C 36.5223 14.9661 39.6711 -0.00268289 0.00203817 0.000818916 10
2830 112 C 37.3664 15.8468 40.6216 0.000231615 -0.00432873 -0.00127173 10
2831 113 C 36.7222 15.9841 42.0439 0.00167763 0.00277517 -0.00290245 10
2832 114 C 36.7415 14.7045 42.891 0.00458542 0.00798548 0.00482706 10
2833 115 C 36.305 14.8266 44.3639 -0.00107266 -0.00384092 0.00142555 10
2834 116 C 37.3918 15.5431 45.2313 0.000661578 -0.00320989 0.000721471 10
2835 117 C 37.047 15.7835 46.693 -0.0010337 -0.00277815 9.91259e-05 10
2836 118 C 37.0223 6.79834 34.1853 -0.00311434 -0.00108012 -0.00558286 10
2837 119 C 36.7987 6.7547 35.693 0.00206479 -0.00330528 0.00344524 10
2838 120 C 37.6137 5.66891 36.4271 0.00218078 0.00172343 0.00691398 10
2839 121 C 37.4387 5.62988 37.9913 4.48912e-05 -0.000316227 -0.002678 10
2840 122 C 38.0293 6.82522 38.7087 -0.0036137 -0.00369457 -0.00101046 10
2841 123 C 37.6689 6.92595 40.1834 -0.000385238 0.00227338 -0.0069449 10
2842 124 C 38.0059 5.73691 41.1401 0.000800497 -0.00387243 -0.00270009 10
2843 125 C 37.1041 5.67324 42.3884 0.00212828 0.000143791 -0.00190865 10
2844 126 C 37.4849 6.5911 43.6086 -0.0045778 0.000492004 0.00427733 10
2845 127 C 36.7423 6.19026 44.893 -0.000402004 0.00451647 0.00293678 10
2846 128 C 36.8948 7.14587 46.0852 -0.00335019 0.00080216 0.000154003 10
2847 129 C 38.3341 7.26468 46.6049 -0.000797055 -0.0034323 0.000178395 10
2848 130 F 35.3414 8.54315 24.393 0.000393017 -0.000228142 -0.000789606 10
2849 131 H 37.6184 14.4243 31.5002 0.00393447 -0.00367534 0.00397845 10
2850 132 H 37.6823 14.1787 29.1226 -0.00884849 -0.00395616 -0.0114968 10
2851 133 H 36.5164 12.4009 27.984 0.00328128 -0.00901626 -2.84777e-05 10
2852 134 H 30.2567 10.537 31.074 0.00212225 0.000726865 0.00518448 10
2853 135 H 30.5876 10.3636 28.6139 0.0032423 0.00900627 -0.0081943 10
2854 136 H 32.8557 10.3416 27.7203 0.00126736 -0.0170072 -0.00523229 10
2855 137 H 37.7057 6.21791 31.9248 -0.00257306 0.00390724 0.00211798 10
2856 138 H 37.6871 6.17202 29.4442 0.00357787 0.00669793 -0.00482281 10
2857 139 H 36.5209 7.87548 28.2492 0.00279315 0.00672623 0.00210527 10
2858 140 H 39.5963 11.616 24.4742 -0.00290353 -0.000791772 -0.00989738 10
2859 141 H 38.0863 11.477 26.4219 0.000245421 0.0011735 0.00268589 10
2860 142 H 37.8991 6.02715 18.9984 -0.00105892 -0.00180022 -0.00681801 10
2861 143 H 38.3002 6.14906 16.5369 -0.00284741 -0.002457 -0.000854278 10
2862 144 H 38.7146 7.74209 20.4859 -0.00274227 0.0252604 -0.00114904 10
2863 145 H 44.9913 10.0938 20.4486 -0.0106364 0.0134384 0.0172673 10
2864 146 H 45.4539 10.2704 18.0084 0.00861105 0.008326 0.0118541 10
2865 147 H 42.6907 10.0729 21.2947 0.00129642 -0.000662566 -0.00435895 10
2866 148 H 38.4667 14.4881 19.1202 0.00315851 0.00174225 -0.00102325 10
2867 149 H 38.8862 14.443 16.6961 -0.00272931 0.00404082 0.00238159 10
2868 150 H 41.0412 10.0687 15.9775 0.0131946 -0.00120792 0.000882559 10
2869 151 H 39.0825 12.5454 20.5445 -0.00507235 0.0132611 0.000989102 10
2870 152 H 34.8474 10.4039 32.9781 0.00170049 -0.00239506 -0.00163814 10
2871 153 H 45.6762 10.0369 15.9147 0.00168374 -0.0133945 0.00445272 10
2872 154 H 44.8798 8.49638 15.8124 -0.0141006 -0.00429294 -0.000278849 10
2873 155 H 45.7597 10.0535 13.6701 -0.00179287 -0.00852147 -0.00565254 10
2874 156 H 44.1279 10.7211 13.8529 -0.00387129 -0.00214173 0.00389529 10
2875 157 H 44.4117 7.75053 13.6555 0.00918938 0.00946641 0.0136081 10
2876 158 H 44.6923 8.64161 12.1636 0.00256044 -0.000966089 0.00414886 10
2877 159 H 42.2356 9.09592 13.8879 -0.0136133 0.00720236 -0.0110607 10
2878 160 H 42.3709 7.82692 12.6744 0.00396948 -0.00205845 -0.00563818 10
2879 161 H 42.8167 10.7308 11.9433 -0.00435982 -0.00177277 0.00789843 10
2880 162 H 41.2361 10.009 11.9683 -0.00129812 0.000881182 -0.00563109 10
2881 163 H 42.2491 8.17032 10.4106 -0.00110875 0.00518106 -0.00750032 10
2882 164 H 43.6364 9.26897 10.2817 0.00290929 0.00788656 -0.00861854 10
2883 165 H 41.476 10.9907 9.65955 -0.00924746 -0.00248373 0.00106389 10
2884 166 H 40.8509 9.46745 9.13384 -0.00163745 0.0110853 0.0120364 10
2885 167 H 43.0058 9.1942 7.58798 0.0230096 0.00986465 0.00187047 10
2886 168 H 43.1494 10.9601 7.93246 -0.00283076 0.00179622 -0.0069861 10
2887 169 H 40.6985 11.1701 7.15611 -0.00612764 -0.00202459 -0.000703604 10
2888 170 H 40.8534 9.49835 6.59934 -0.00891759 0.00116932 0.00507891 10
2889 171 H 42.8153 11.5709 5.63801 0.000400102 0.00178294 -0.00919586 10
2890 172 H 41.1759 11.426 4.99984 0.0040206 0.00114808 0.00179446 10
2891 173 H 41.6238 8.91206 4.51437 0.00567993 -0.00443656 -0.00389374 10
2892 174 H 43.3207 9.26168 4.92651 0.000175872 -0.00356196 -0.00275395 10
2893 175 H 43.1151 9.38351 2.59629 0.00109679 -0.00463522 0.00590001 10
2894 176 H 43.2904 11.1017 3.20964 0.0109777 -0.00813031 -0.00657823 10
2895 177 H 41.7329 10.5245 2.68398 -0.00563087 0.0164021 0.0183296 10
2896 178 H 39.7812 6.27026 14.2812 -0.0137139 -0.00767852 0.0100771 10
2897 179 H 38.1751 6.93229 14.5463 0.000944455 -0.00163605 -0.0113674 10
2898 180 H 38.6888 8.77037 12.9951 0.00219619 -0.00455747 -0.00756084 10
2899 181 H 40.3279 8.14391 12.7943 0.00548682 0.00626411 0.0073706 10
2900 182 H 39.439 6.13547 11.7063 0.0153718 0.00883185 0.00791566 10
2901 183 H 37.7983 6.63893 12.0909 -0.000913872 0.0114106 0.00934298 10
2902 184 H 38.0908 8.62851 10.6547 0.0075776 0.0104204 -0.0205247 10
2903 185 H 39.8003 8.22514 10.3757 -0.00371357 0.00270025 0.00588817 10
2904 186 H 39.0151 6.07747 9.25019 0.00953443 0.00567144 -0.00254674 10
2905 187 H 37.3554 6.57854 9.56312 0.00229441 -0.00639048 -0.00973849 10
2906 188 H 37.5952 8.52164 8.03895 -0.0157811 -0.0132707 -0.00549635 10
2907 189 H 39.29 8.1449 7.7795 -0.00149292 0.00950329 -0.00734901 10
2908 190 H 38.5425 5.94044 6.75922 0.00741178 0.00396872 -1.04139e-05 10
2909 191 H 36.8678 6.53635 6.801 -0.00142727 0.00167892 -0.00256339 10
2910 192 H 37.3311 8.3504 5.2345 -0.00977775 -0.00659194 -0.00480978 10
2911 193 H 39.0883 8.20564 5.52473 0.000798947 -0.00653822 0.000354387 10
2912 194 H 39.069 5.90372 4.52451 -0.0128614 -0.0114343 0.00127011 10
2913 195 H 37.3657 6.14205 4.18675 0.00333857 0.000465879 -0.00450925 10
2914 196 H 39.6073 8.01089 3.14907 0.00783698 -0.003689 0.000612391 10
2915 197 H 39.2883 6.42663 2.36423 -0.0104357 -0.00118811 -0.00125869 10
2916 198 H 37.3003 8.7184 2.7054 0.0153646 0.00356289 0.00984148 10
2917 199 H 38.3467 8.55495 1.29471 -0.0173632 -0.0105031 -0.0186268 10
2918 200 H 37.3404 6.39965 0.69549 -0.00651832 -0.0050942 0.00270655 10
2919 201 H 36.3399 6.37187 2.19188 -0.00167721 -0.00899287 -0.0106052 10
2920 202 H 35.9652 7.49925 0.931746 -0.00396546 -0.00153812 0.000473383 10
2921 203 H 39.8294 14.1487 14.5299 0.00150841 -0.00232505 -0.00366147 10
2922 204 H 41.3724 13.7325 15.3082 -0.000761491 0.00193988 -0.00045123 10
2923 205 H 41.8308 12.1414 13.4802 -0.00695141 0.00726884 0.00924419 10
2924 206 H 40.2852 12.3166 12.7486 0.00260083 -0.00995654 -9.26806e-05 10
2925 207 H 40.6141 14.8826 12.6774 8.10186e-05 -0.000881024 0.00388996 10
2926 208 H 42.2948 14.6159 12.907 0.00228116 0.00183566 0.00571805 10
2927 209 H 42.3048 13.1672 10.7407 -0.0115384 -0.00779407 -0.000826453 10
2928 210 H 40.6257 13.6738 10.5211 -0.00696063 0.0132506 0.00417676 10
2929 211 H 41.367 16.0336 10.3658 0.00106789 0.00529729 -0.00866885 10
2930 212 H 43.0213 15.5396 10.7415 -0.00093504 0.000851042 0.00324478 10
2931 213 H 42.3717 16.0273 8.27322 -0.00138282 -0.000436051 0.00204322 10
2932 214 H 43.3509 14.5672 8.60519 0.000649776 8.36204e-05 -0.00347638 10
2933 215 H 41.7754 13.0584 8.239 0.00399323 -0.00367065 -0.022886 10
2934 216 H 40.3775 14.1531 8.36229 0.00150221 -0.0168454 0.0120251 10
2935 217 H 40.8769 13.3974 6.0248 -0.0122469 0.00361396 0.0100427 10
2936 218 H 40.7354 15.1376 6.18162 -0.00011547 0.00328994 0.00599077 10
2937 219 H 42.9129 15.6237 5.97328 -0.00256728 -0.00302823 0.000781745 10
2938 220 H 43.4911 13.9326 6.23666 0.00146422 -0.00597358 -0.00257285 10
2939 221 H 43.5656 14.7768 3.86437 0.000572752 0.00168869 0.0076013 10
2940 222 H 42.7966 13.2133 4.073 -0.00428098 -0.00137393 0.00641884 10
2941 223 H 40.5426 14.3993 3.96589 -0.00697463 0.0201721 0.00415602 10
2942 224 H 41.4128 15.8665 3.46656 -0.00510416 0.00297186 0.00182413 10
2943 225 H 42.4803 14.4909 1.56258 0.0031484 -0.00934595 0.00173451 10
2944 226 H 41.5637 13.123 2.06234 -0.00794636 -0.00176552 0.00525739 10
2945 227 H 40.7018 14.5313 1.41682 0.00604614 -0.0067236 -0.00509171 10
2946 228 H 30.2452 11.6411 33.0959 0.00423685 -0.000894741 -0.0065688 10
2947 229 H 30.1153 9.83732 33.1399 0.00445816 -0.005814 0.00593534 10
2948 230 H 31.577 9.98042 35.2359 -0.00748622 -0.0080909 -0.00346712 10
2949 231 H 31.226 11.6846 35.3349 -0.00109459 0.000558899 0.00847177 10
2950 232 H 29.056 11.3811 36.1815 -0.00408273 -0.00011618 -0.00267726 10
2951 233 H 28.8737 9.76241 35.7099 -0.00685352 0.00805156 -0.00312455 10
2952 234 H 30.7939 9.15551 37.2392 -0.00222188 -0.00384483 0.00171789 10
2953 235 H 31.0255 10.8536 37.6375 0.000334855 0.000509422 -0.00839207 10
2954 236 H 28.8643 10.8842 38.8851 0.0135923 0.00332254 0.00971773 10
2955 237 H 28.6394 9.17841 38.4437 -0.00744538 0.00675225 0.00467142 10
2956 238 H 30.7847 8.62565 39.5665 -0.0192381 -0.0123116 0.00540387 10
2957 239 H 31.1224 10.2944 39.8294 0.00322844 -0.00584912 -0.00645601 10
2958 240 H 28.644 8.91204 41.071 -0.0046016 0.0052795 -0.000545212 10
2959 241 H 30.1733 8.88865 41.8445 0.000252031 0.00551761 0.00536253 10
2960 242 H 29.885 11.653 41.3418 0.00253108 -0.00284451 0.00512284 10
2961 243 H 28.2393 11.2173 41.612 0.00275546 0.00659194 -0.00358287 10
2962 244 H 30.5401 10.3802 43.4801 -0.00431642 -0.00939615 -0.00755543 10
2963 245 H 29.6494 11.8813 43.605 0.0200816 -0.0049233 0.0100469 10
2964 246 H 27.5138 10.6589 44.0368 0.00389974 0.00990552 0.00734595 10
2965 247 H 28.3177 9.12617 43.8929 -0.0167747 0.000195428 0.00973964 10
2966 248 H 28.9812 11.329 45.9473 0.00329088 -0.000510796 -0.0110914 10
2967 249 H 28.0238 9.85854 46.284 -0.00900564 0.00844336 0.00202468 10
2968 250 H 30.3166 9.749 47.1876 0.00298497 -0.000713694 0.000673958 10
2969 251 H 30.0835 8.4767 45.9712 -0.000327944 -0.000309258 0.0190844 10
2970 252 H 30.9611 9.93578 45.5632 -0.00170802 -0.00182269 -0.0080926 10
2971 253 H 38.0504 14.0252 33.6569 0.000704166 0.00333528 -0.00209635 10
2972 254 H 36.5403 14.9363 33.3186 0.0154182 -0.00135049 -0.00731187 10
2973 255 H 35.7807 14.4748 35.6132 0.00347489 0.00649654 -0.00151324 10
2974 256 H 37.205 13.4367 35.9068 -0.00559948 -0.00146705 0.00673233 10
2975 257 H 38.6817 15.3557 35.782 0.00428155 0.0026911 0.00313635 10
2976 258 H 37.432 16.4231 35.2377 -0.00584438 -0.00719817 -0.00621931 10
2977 259 H 37.9983 16.6739 37.7244 0.00169999 0.0021743 -0.00485328 10
2978 260 H 36.3146 16.4525 37.3688 -0.00749971 -0.00836678 0.0141013 10
2979 261 H 36.5849 13.9191 37.8644 0.0048395 -0.0136677 0.0161853 10
2980 262 H 38.1913 14.3348 38.5764 0.00185893 0.00264422 -0.00902352 10
2981 263 H 35.5327 15.4107 39.5082 -0.00510649 -0.00287023 0.00213989 10
2982 264 H 36.3534 13.9704 40.0994 0.00260849 -0.00666937 -0.0172822 10
2983 265 H 38.3866 15.4566 40.7238 -0.00538561 -0.0179373 0.00285976 10
2984 266 H 37.4165 16.8791 40.254 -0.00264004 -0.00966138 -0.0165334 10
2985 267 H 37.1659 16.8677 42.5191 -0.00549429 -0.00202817 0.0126426 10
2986 268 H 35.6738 16.2824 41.9206 0.00286542 0.00973779 0.00379979 10
2987 269 H 36.1346 13.9249 42.4142 0.00597945 0.00862414 0.00200858 10
2988 270 H 37.7882 14.405 42.7562 0.00437559 0.00396841 0.0123938 10
2989 271 H 35.3806 15.4141 44.4244 -0.0039869 -0.00843879 0.00146338 10
2990 272 H 36.1199 13.8415 44.8095 -0.00547346 -0.000414359 0.00718437 10
2991 273 H 38.3429 15.002 45.154 -0.00366725 -0.0106404 -0.000482904 10
2992 274 H 37.5988 16.5331 44.8067 0.0145874 9.39746e-06 0.0149639 10
2993 275 H 36.9927 14.8515 47.2691 -0.000592154 0.00419492 0.0114322 10
2994 276 H 37.8236 16.4168 47.1394 -0.0102856 0.00949805 -0.00128135 10
2995 277 H 36.0384 16.215 46.6937 -0.000807281 -0.00236593 0.0161631 10
2996 278 H 36.7197 5.8316 33.7643 0.00341592 -0.000989523 -0.0104919 10
2997 279 H 38.0821 6.94882 33.9453 -0.00347496 -0.00139654 -0.00738599 10
2998 280 H 35.7489 6.50229 35.8869 -0.0039288 0.0158341 -0.00415502 10
2999 281 H 37.0063 7.7178 36.1755 -0.0103098 0.00346157 -0.00477346 10
3000 282 H 38.684 5.74133 36.1975 0.00319585 0.00502765 0.0126886 10
3001 283 H 37.3396 4.67506 36.0522 -0.00552812 0.00335403 0.00822212 10
3002 284 H 38.0533 4.78387 38.3228 0.0148999 0.0115734 0.000257325 10
3003 285 H 36.387 5.47872 38.2642 -7.02034e-05 0.00612209 0.000424313 10
3004 286 H 37.7084 7.78989 38.2966 -0.0037327 0.00138425 0.0108651 10
3005 287 H 39.1137 6.70864 38.5914 -0.00302327 -0.00249704 0.00328063 10
3006 288 H 36.5978 7.14698 40.2694 0.00269739 0.0109389 0.00955206 10
3007 289 H 38.1356 7.8307 40.592 0.00924204 0.000114881 -0.0131911 10
3008 290 H 39.0683 5.77283 41.4107 -0.00129631 0.00690983 0.00411253 10
3009 291 H 37.7331 4.80418 40.6312 0.00354653 0.00319296 -0.0170813 10
3010 292 H 37.1394 4.64509 42.7693 0.0023068 -0.00195207 -0.00760405 10
3011 293 H 36.068 5.91073 42.1174 0.00377887 0.0127738 0.00276539 10
3012 294 H 37.1987 7.62614 43.3845 0.0107163 0.00542716 0.00764688 10
3013 295 H 38.5677 6.52006 43.7694 -0.00573441 -0.0069969 0.00878731 10
3014 296 H 37.095 5.20321 45.2167 0.00790443 0.00868026 0.00656705 10
3015 297 H 35.6881 6.00597 44.652 -0.000166952 -0.000777629 0.00592436 10
3016 298 H 36.3016 6.69135 46.8882 -0.0120651 -0.00396384 -0.00897237 10
3017 299 H 36.3933 8.10791 45.9228 -0.0232124 -0.00941002 0.000729299 10
3018 300 H 38.9211 7.81719 45.8609 0.00733077 0.00317554 0.0114995 10
3019 301 H 38.7438 6.26421 46.7908 -0.00138397 -0.00317409 0.00287218 10
3020 302 H 38.4093 7.82791 47.5432 -0.0179685 -0.00163226 0.000457022 10
3021 1 C 40.9098 6.95741 31.1443 -2.71004e-05 -0.00233319 0.0018847 11
3022 2 C 41.0661 6.88493 29.7598 -0.00134146 -0.00433386 -0.000928465 11
3023 3 C 40.6756 5.70246 29.0622 -0.00103119 0.00690168 0.000368312 11
3024 4 C 40.023 4.67235 29.7729 -0.00307008 0.00313865 -0.00565532 11
3025 5 C 39.8231 4.73163 31.1931 -0.00050879 -0.00260609 0.00301718 11
3026 6 C 40.3 5.89332 31.8932 0.0054724 -0.00273455 -0.00105147 11
3027 7 C 35.3344 3.69531 30.3549 -0.000550755 0.00200405 -0.00237109 11
3028 8 C 35.6114 3.60813 28.9599 0.00197016 0.00162639 -0.00103981 11
3029 9 C 36.8857 3.39864 28.5155 -0.00119846 -0.00222858 0.001477 11
3030 10 C 37.9537 3.47909 29.4247 0.00518257 0.00476743 -0.00216134 11
3031 11 C 37.7209 3.54288 30.8491 0.00191035 -0.000963198 -0.00115775 11
3032 12 C 36.3722 3.65407 31.3179 -0.00135804 -0.00362344 7.21713e-05 11
3033 13 C 40.8543 0.0454796 31.4241 0.00242242 -0.0016287 0.000651682 11
3034 14 C 41.1107 0.0590084 30.0415 -0.000138978 0.0032876 0.00181639 11
3035 15 C 40.6867 1.10265 29.2375 -0.00141044 0.0023344 -0.00197514 11
3036 16 C 40.0337 2.21068 29.8343 -0.00175327 0.001624 -0.00267344 11
3037 17 C 39.4687 3.42582 29.0748 -0.00252063 -0.00135562 -0.00158499 11
3038 18 O 39.9334 1.05305 33.3944 0.00091766 3.88311e-05 -0.000928948 11
3039 19 O 36.0692 3.84789 32.6819 0.000394682 -0.00240675 -0.00238563 11
3040 20 O 40.136 6.04449 33.2993 0.000442727 0.00116115 -0.00139364 11
3041 21 C 40.1646 1.11995 32.0345 0.00595667 -0.00227169 -0.00137354 11
3042 22 C 39.9136 3.35529 27.6683 -0.00157092 0.000481837 0.00240699 11
3043 23 C 40.4163 3.40241 26.5532 0.00353329 -0.00412282 5.84315e-05 11
3044 24 C 41.1677 3.48531 25.3529 0.000281817 -0.00245239 0.00596355 11
3045 25 C 41.5721 4.73018 24.8377 -0.000189585 -0.00149403 0.00352729 11
3046 26 C 42.357 4.81322 23.6506 0.00470875 -0.000235709 0.00398347 11
3047 27 C 42.8942 3.63804 23.0708 0.0019624 -0.00190655 0.000542176 11
3048 28 C 42.5634 2.41052 23.6603 0.00231532 0.005374 -0.00311652 11
3049 29 C 41.7253 2.34138 24.7839 0.00191543 0.00095157 -0.00539127 11
3050 30 C 43.6112 3.67639 21.8727 0.0017068 -0.00259459 -0.00148116 11
3051 31 C 44.0693 3.66581 20.7442 -0.0032365 0.000205615 0.00155106 11
3052 32 C 42.8753 -0.0101642 18.7896 0.00214257 0.00153516 0.000780314 11
3053 33 C 43.211 -0.17041 17.4339 -0.00301088 -0.000584612 0.000827747 11
3054 34 C 43.7276 0.888412 16.6755 -0.00213988 -0.000101072 0.000115027 11
3055 35 C 43.885 2.14018 17.2862 0.00236808 -0.000462516 -0.00591455 11
3056 36 C 43.6771 2.27132 18.6996 -0.000897706 1.37927e-05 0.002961 11
3057 37 C 43.1363 1.20043 19.451 -0.00344593 0.000856397 -0.00081619 11
3058 38 C 44.3338 3.55584 19.3063 0.000116447 0.000650634 4.84702e-06 11
3059 39 C 48.2652 3.46169 19.1433 0.00114386 -0.00392198 -0.00429849 11
3060 40 C 48.3807 3.3893 17.7296 -0.000543858 -0.00273661 0.0011606 11
3061 41 C 47.2109 3.37691 16.8979 0.00236117 0.00020343 -0.00229496 11
3062 42 C 45.9508 3.35165 17.4699 -0.00287724 -0.001627 0.00285836 11
3063 43 C 45.8028 3.45163 18.8825 1.8462e-05 0.00147296 -0.00433958 11
3064 44 C 46.9775 3.5392 19.7035 -0.000224252 0.00347021 0.00137768 11
3065 45 C 42.8067 6.94934 18.178 -0.00425318 -0.00213986 -0.000912959 11
3066 46 C 42.9794 6.8162 16.8061 0.00401166 0.00476275 -0.00124997 11
3067 47 C 43.5218 5.61945 16.2784 0.00193391 -0.0019204 0.0020935 11
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3069 49 C 44.6385 3.30138 16.6844 -0.00397642 -0.000310495 0.00308601 11
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3076 56 C 39.7545 2.20641 31.2475 0.00344723 -0.0013489 -0.00283946 11
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3081 61 C 46.8653 2.66783 9.42943 -0.000143674 0.0028052 -0.000655708 11
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3088 68 C 46.4961 3.21271 0.963848 -0.00142117 0.00232583 -0.00238602 11
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3106 86 C 42.4871 5.09149 8.78061 0.000662826 0.00542118 0.00392063 11
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3109 89 C 42.6129 6.14965 5.76388 0.00519317 -0.00771096 -0.00111537 11
3110 90 C 42.1083 5.98408 4.28973 0.00117873 0.00370622 -0.0032487 11
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3112 92 C 42.8241 6.19912 1.85426 0.000210231 -0.000724177 -0.00607489 11
3113 93 C 42.1872 4.9031 1.37458 0.000332177 0.00116489 0.00076552 11
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3115 95 C 34.5311 4.27523 34.6367 0.00143078 -0.00100368 -2.56924e-05 11
3116 96 C 33.4468 3.49333 35.3432 -0.00367794 0.00305819 -0.00276907 11
3117 97 C 32.9118 3.95867 36.7145 0.00124956 -0.00316169 0.000666465 11
3118 98 C 33.7998 3.74636 37.929 -0.000780078 -0.00254334 0.002346 11
3119 99 C 33.124 4.17571 39.2325 -0.00298112 -0.00408671 0.00157398 11
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3121 101 C 33.2693 4.26903 41.8271 0.000953032 0.00250625 0.00103675 11
3122 102 C 33.9627 3.75478 43.1131 0.000676801 0.00446872 0.00746471 11
3123 103 C 33.2366 4.28764 44.3653 0.00124976 0.0013368 0.00104611 11
3124 104 C 33.7345 3.64784 45.6798 -0.000624999 -0.00481898 -0.00145836 11
3125 105 C 33.0553 4.17521 46.9328 -0.00291915 0.00197912 -0.00105738 11
3126 106 C 40.7399 7.25307 33.8992 0.00147265 0.000238449 0.000847098 11
3127 107 C 40.6609 7.40919 35.4599 -0.00197832 -0.00422988 -0.00110088 11
3128 108 C 41.2961 8.69621 35.9728 -0.000260072 -0.00403518 0.00314525 11
3129 109 C 41.2523 8.86009 37.4919 -0.00249827 0.00280805 -0.000677723 11
3130 110 C 42.2412 7.99508 38.2403 0.000340656 -0.000713694 -0.00245526 11
3131 111 C 42.3611 8.32058 39.7418 0.00134105 -0.000414443 -0.0041464 11
3132 112 C 41.0139 8.12554 40.4645 0.00080041 0.000192489 -0.00225515 11
3133 113 C 41.0478 8.03123 41.9882 0.00111561 0.00352534 0.000977139 11
3134 114 C 41.7033 9.23128 42.6965 0.000835111 -0.001065 -0.00184183 11
3135 115 C 41.6066 9.3021 44.2362 -0.00250611 0.00662033 0.000753694 11
3136 116 C 41.986 8.03362 44.926 0.00536253 -0.00238913 0.00113454 11
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3138 118 C 40.1235 -0.181851 34.1546 -0.00606394 -0.000290873 -0.000356919 11
3139 119 C 40.2585 0.228629 35.6014 2.31277e-05 -0.000661778 -0.00226109 11
3140 120 C 40.8586 -0.836561 36.5626 0.00118042 -0.000169167 0.00153782 11
3141 121 C 40.9246 -0.224504 37.9649 -0.0014162 0.00258249 0.000486323 11
3142 122 C 41.4187 -1.1774 39.0067 0.00812814 -0.00283155 -0.00476788 11
3143 123 C 41.4424 -0.449205 40.3591 0.000780758 0.00142043 -0.00789858 11
3144 124 C 41.9231 -1.24844 41.5737 -0.00142824 0.00161549 0.000132729 11
3145 125 C 41.4416 -0.448212 42.8624 -0.00454646 -0.00276489 0.00338961 11
3146 126 C 41.7343 -1.20703 44.1854 -0.00271105 -0.000261472 0.00254132 11
3147 127 C 40.8592 -0.699158 45.3689 -0.0015831 0.000956287 0.00235477 11
3148 128 C 41.3207 -1.27675 46.7198 -0.000543281 -0.00077619 -0.000115077 11
3149 129 C 40.6097 -0.588515 47.8676 -0.000849967 -0.00465923 0.00235922 11
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3152 132 H 41.4078 7.76492 29.2229 0.00199556 -0.00763244 -0.00418861 11
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3171 151 H 43.0123 6.06237 20.1149 0.00483789 -0.00928409 0.00231012 11
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3178 158 H 48.0096 2.82008 11.9492 0.000136193 0.00724333 0.0176337 11
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3188 168 H 46.8589 4.58254 5.76961 -0.00302517 -0.00315761 -0.00367469 11
3189 169 H 44.9486 3.96693 4.78843 -0.00523741 -0.00273172 0.00542747 11
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3201 181 H 45.9715 0.0710018 13.5746 0.0026913 -0.00203388 0.0014878 11
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3209 189 H 45.7452 -2.97746 9.16412 0.0017547 0.0040578 0.0106203 11
3210 190 H 44.5341 -1.23079 8.06929 0.0030326 0.00328607 0.00534405 11
3211 191 H 45.8931 -0.112098 8.17234 0.002672 -0.00355187 0.000564805 11
3212 192 H 47.0245 -1.57207 6.38625 0.00230247 -0.0165922 0.00515255 11
3213 193 H 45.6775 -2.71149 6.42757 0.00110523 0.00172176 0.00446429 11
3214 194 H 44.0924 -1.09601 5.49586 -0.000319667 0.00493354 0.00499957 11
3215 195 H 45.1721 0.212677 5.9636 -0.000225266 -0.00502495 0.010525 11
3216 196 H 45.2984 0.0409001 3.65787 -0.00721599 0.00194791 0.00700521 11
3217 197 H 46.8507 -0.491003 4.26622 0.00155314 -0.0106576 0.0151721 11
3218 198 H 46.6086 -2.65749 3.70141 -0.0130193 -0.00919848 0.0109342 11
3219 199 H 44.8189 -2.60084 3.58979 -0.00302938 0.00456198 -0.00259726 11
3220 200 H 46.7763 -1.05123 1.7694 0.00185231 -0.00161202 0.00574689 11
3221 201 H 46.1236 -2.6464 1.34129 0.00378345 0.0013686 -0.00198364 11
3222 202 H 45.0437 -1.23112 1.4453 0.00546772 0.00380569 -0.00493559 11
3223 203 H 42.2509 4.14698 14.2253 0.011831 -0.00440156 0.0160201 11
3224 204 H 41.946 5.83182 13.9012 0.000178486 0.00413698 0.00795296 11
3225 205 H 44.2159 5.66653 12.5051 0.00599259 -0.00890334 -0.0126336 11
3226 206 H 43.8495 3.89089 12.4979 0.00736259 0.00136933 -0.00132967 11
3227 207 H 41.8102 4.23383 11.3404 -0.0096087 0.00902194 0.0104372 11
3228 208 H 41.8607 5.99376 11.6365 0.0113511 0.00888808 -0.00801513 11
3229 209 H 43.7633 6.26541 10.1394 -0.0154548 0.00706754 0.0105106 11
3230 210 H 44.0855 4.55989 10.1256 -0.00539492 -0.0111858 -0.000570462 11
3231 211 H 43.1725 4.63861 8.05355 -0.00247014 0.0148369 -0.00489055 11
3232 212 H 41.6556 4.39629 8.95016 -0.00799752 0.016892 0.00859356 11
3233 213 H 40.9899 6.64822 8.81953 0.00727327 -0.000631063 0.0152047 11
3234 214 H 42.6329 7.16586 8.24293 0.00376473 -0.00257753 0.00516176 11
3235 215 H 40.8505 5.20216 6.68154 -0.0109481 0.00573626 -0.00671685 11
3236 216 H 40.6892 6.8925 6.43316 -0.00410655 0.00650638 0.0199501 11
3237 217 H 43.2096 7.06607 5.85073 -0.00583647 -0.000407776 -0.00255579 11
3238 218 H 43.2851 5.30969 5.97854 0.00850542 -0.00103528 0.0145704 11
3239 219 H 41.6619 4.98895 4.17195 -0.00601728 0.00554577 0.00843925 11
3240 220 H 41.3126 6.70343 4.05985 0.00469955 0.00610448 -0.00792915 11
3241 221 H 43.6887 7.18519 3.53966 0.00194306 5.55323e-05 -0.00194052 11
3242 222 H 44.0084 5.41897 3.5409 -0.00396264 -0.00387074 0.00650892 11
3243 223 H 42.0348 6.95728 1.77924 0.00125519 0.000391716 -0.00576732 11
3244 224 H 43.6542 6.51138 1.20867 0.00700743 0.00429581 0.00509283 11
3245 225 H 41.7514 4.95783 0.369327 -0.0150473 -0.0197815 0.00625167 11
3246 226 H 42.9564 4.12106 1.37556 -0.0010999 -0.000259469 -0.0119022 11
3247 227 H 41.3568 4.66114 2.04939 0.00147271 -0.00102859 0.00137808 11
3248 228 H 33.9869 4.34057 32.5908 0.000498678 0.00697959 0.00787123 11
3249 229 H 34.3329 2.72875 33.1222 -0.00769129 0.00134767 0.0163354 11
3250 230 H 35.4783 4.23614 35.1887 -0.0039518 -0.0112355 0.00845164 11
3251 231 H 34.32 5.34962 34.5694 0.000253225 -0.000849796 0.00622955 11
3252 232 H 32.5848 3.45441 34.6657 -0.00359868 -0.00904947 -0.00214835 11
3253 233 H 33.9188 2.51381 35.4885 0.000751234 0.00624418 0.00442487 11
3254 234 H 32.6242 5.01565 36.6557 -0.00186361 -0.00312653 0.0169294 11
3255 235 H 31.9463 3.45471 36.8455 -0.00824244 0.0134234 -0.00523189 11
3256 236 H 34.0292 2.68033 38.0489 -0.00770702 -0.00580172 -0.0135407 11
3257 237 H 34.7527 4.28634 37.8676 0.00116712 -0.00709601 -0.00714802 11
3258 238 H 32.753 5.20316 39.1319 -0.00275768 -0.00164641 0.0257864 11
3259 239 H 32.2376 3.53071 39.2732 -0.00783774 0.00209548 -0.00576626 11
3260 240 H 34.5655 3.05914 40.5469 -0.00615498 -0.00687716 -0.00267219 11
3261 241 H 34.9096 4.72124 40.422 0.00299526 -0.00571016 -0.0111602 11
3262 242 H 33.0205 5.33249 41.9298 -0.0067424 -0.000303965 0.0114754 11
3263 243 H 32.3236 3.71919 41.7455 0.0104914 -0.0133488 -0.00289531 11
3264 244 H 33.9315 2.66009 43.0492 0.0174897 0.00379311 0.0109708 11
3265 245 H 35.0166 4.04632 43.2005 0.0043893 -0.00849465 0.00596911 11
3266 246 H 33.2363 5.38449 44.347 -0.0135527 0.00139751 0.00369079 11
3267 247 H 32.1728 4.03111 44.2878 -0.00163309 0.0138022 -0.000700739 11
3268 248 H 33.7183 2.55201 45.6318 0.00424603 -0.00552199 0.0128879 11
3269 249 H 34.8054 3.88257 45.716 -0.00156849 -0.00261175 0.0115686 11
3270 250 H 33.5961 3.7044 47.763 -0.0192371 -0.00129121 0.00770212 11
3271 251 H 33.1107 5.27038 46.9632 -0.00822052 0.0027789 -0.0197475 11
3272 252 H 32.0159 3.83155 47.0034 0.000988346 -0.0102799 -0.00304645 11
3273 253 H 41.8186 7.28072 33.7016 0.00358395 0.00776801 0.0132614 11
3274 254 H 40.2465 8.12639 33.455 -0.00299541 0.000280183 0.00588085 11
3275 255 H 39.5905 7.4907 35.6854 -0.000539061 0.00172821 0.00354542 11
3276 256 H 41.1417 6.57581 35.9869 0.00630701 -0.000776519 -0.00319164 11
3277 257 H 42.2866 8.81396 35.5162 0.00483078 -0.00231026 0.0147038 11
3278 258 H 40.7504 9.55656 35.566 0.0118247 0.00284969 0.00145731 11
3279 259 H 41.4875 9.90693 37.7205 -0.00245695 0.000248992 0.0109559 11
3280 260 H 40.2328 8.62477 37.8215 0.00260927 -0.00658902 0.00841577 11
3281 261 H 41.9227 6.95703 38.084 0.00917197 -0.00467242 0.00601252 11
3282 262 H 43.2331 8.18374 37.8113 0.00687198 -0.0123358 0.00757559 11
3283 263 H 43.0778 7.62125 40.1897 -0.00200594 -0.00134651 -0.000229399 11
3284 264 H 42.6089 9.36715 39.9578 0.00504625 -0.00136436 -0.00384658 11
3285 265 H 40.3393 8.93606 40.1621 0.00818206 0.00689492 -0.000746818 11
3286 266 H 40.5632 7.20111 40.0828 -0.00846447 0.000910674 0.00695975 11
3287 267 H 40.0243 7.94034 42.3722 -0.00326332 0.00126623 -0.0112564 11
3288 268 H 41.5403 7.08277 42.2358 -0.0137383 -0.00695326 -0.00950402 11
3289 269 H 42.7471 9.31223 42.369 -0.00121036 -0.0123812 -0.0111268 11
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3325 3 C 44.4862 12.438 29.0672 -0.00155603 -0.00148324 0.00222146 12
3326 4 C 43.8814 11.4039 29.8367 -9.04497e-05 -0.000788692 -0.00510234 12
3327 5 C 43.7754 11.4912 31.2613 0.00116851 -0.00257367 -0.000438268 12
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3330 8 C 39.3505 10.329 29.4972 0.000390664 -0.000239323 -0.0027264 12
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3337 15 C 44.4264 7.89346 29.2226 0.00122917 0.00354736 0.00236122 12
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3345 23 C 43.8583 9.99028 26.7176 0.00257141 0.00201749 -0.000965757 12
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3347 25 C 44.7938 11.2985 24.8669 -0.0010589 0.000204152 -0.00128944 12
3348 26 C 45.6759 11.3426 23.7483 -0.00126844 0.00159672 0.000753274 12
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3350 28 C 46.3559 9.03806 24.0813 0.00346757 0.00314688 0.00242921 12
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3352 30 C 47.3069 10.3106 22.2157 -0.0031248 0.00311583 0.00532527 12
3353 31 C 47.839 10.3171 21.1163 -0.00173561 0.000100575 0.00115452 12
3354 32 C 46.4068 6.95758 18.8171 -0.000847806 0.00206773 0.00420639 12
3355 33 C 46.6246 6.94293 17.4565 0.00148982 0.00160248 -0.00165444 12
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3357 35 C 47.7163 9.10624 17.591 0.000492056 -0.00346986 -0.000992929 12
3358 36 C 47.564 9.10406 18.9782 0.00257281 -0.000621429 0.0042902 12
3359 37 C 46.9492 7.99387 19.5756 -0.00172696 0.00695317 -0.00221285 12
3360 38 C 48.1567 10.3466 19.6811 -0.00245365 0.00249692 -0.00255182 12
3361 39 C 52.0781 10.2088 19.5923 0.000545305 -0.00166803 -0.00714887 12
3362 40 C 52.2247 10.2011 18.1951 -0.00065092 0.00264715 -0.000627628 12
3363 41 C 51.0996 10.2002 17.3004 -0.000699522 0.000393358 -0.00199602 12
3364 42 C 49.8188 10.2789 17.8621 -0.00028193 0.00170168 -0.00133927 12
3365 43 C 49.6618 10.3177 19.2857 -0.00333774 -0.00143116 0.00103156 12
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3370 48 C 47.8227 11.5669 17.5214 0.000541681 -0.000854882 -0.0072246 12
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3372 50 C 47.6298 11.6249 18.938 -0.0017202 -0.00250514 -0.00325989 12
3373 51 C 46.9499 12.7229 19.548 -0.00326714 -0.00241373 0.00297754 12
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3378 56 C 43.6841 8.96799 31.3439 -0.00136522 -0.00477438 0.00168402 12
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3382 60 C 49.8464 9.58289 11.9283 -0.000471817 -0.00141542 -0.00230552 12
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3403 81 C 46.6766 7.85904 1.23259 0.00277929 0.00166547 0.000946178 12
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3406 84 C 49.494 13.5111 12.1588 0.00399547 0.000678979 0.00364692 12
3407 85 C 49.1402 13.5462 10.6537 0.00241203 -4.0034e-05 0.00279698 12
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3421 99 C 37.6563 10.4732 39.2568 0.000341479 -0.0014737 0.00130817 12
3422 100 C 37.3296 11.2159 40.5292 0.00151463 0.00461859 -0.000827227 12
3423 101 C 37.5442 10.4022 41.7986 0.0029808 0.000218145 0.00439753 12
3424 102 C 37.3735 11.2518 43.0897 -0.000597805 -0.00155849 -0.000475243 12
3425 103 C 37.6006 10.4599 44.3723 -0.00203255 0.00104697 0.00117769 12
3426 104 C 37.4518 11.3538 45.5909 -0.00251372 -0.00137779 0.0017109 12
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3449 127 C 45.3026 6.42085 44.0176 -0.00506916 0.00503927 -0.00236892 12
3450 128 C 45.3269 5.1777 44.9387 -0.000205777 -0.00381808 0.0022902 12
3451 129 C 44.448 5.36821 46.1602 0.000376992 -0.00313171 -0.000143416 12
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3519 197 H 46.7202 9.71512 3.3435 0.0103969 -0.00378238 -0.0015613 12
3520 198 H 47.918 7.68528 3.03811 -0.000425411 -0.0110415 0.00337169 12
3521 199 H 46.4451 6.71724 3.06744 0.00178638 -0.000340033 -0.00590242 12
3522 200 H 47.1295 7.04181 0.657765 0.00506907 0.00448891 -0.00126356 12
3523 201 H 45.61 7.78648 0.986461 0.00586389 -0.00511426 -0.0104735 12
3524 202 H 47.1041 8.79761 0.858789 0.00407741 0.00851721 0.0196767 12
3525 203 H 49.1184 13.7789 14.9296 -0.00950437 0.00189122 0.00615114 12
3526 204 H 49.3781 12.0501 14.8289 -0.00955253 -0.010345 -0.0029836 12
3527 205 H 47.9751 12.0249 12.7184 0.0177382 -0.00511903 -0.00650626 12
3528 206 H 47.5887 13.7042 12.8995 -0.0070991 -0.00294428 0.011162 12
3529 207 H 49.7444 14.5123 12.5305 0.0199515 -0.00292467 0.0026081 12
3530 208 H 50.4095 12.9271 12.3147 -0.000428066 -0.00413087 0.01168 12
3531 209 H 48.817 12.5761 10.2564 0.00753177 -0.00499524 0.0107488 12
3532 210 H 48.3302 14.2708 10.5039 0.0022417 -0.00541569 -0.0222182 12
3533 211 H 50.8106 14.8298 10.3539 0.00844351 -0.00298226 -0.00374377 12
3534 212 H 51.0245 13.1554 9.67232 -0.00238432 -0.00219383 -0.000133544 12
3535 213 H 49.0244 15.0481 8.31437 -0.00027644 -0.00509463 0.0124126 12
3536 214 H 50.7533 15.2909 8.11679 -0.00841807 0.00644236 -0.00124362 12
3537 215 H 51.0515 13.0447 7.30143 0.00171042 -0.00557145 -0.0022224 12
3538 216 H 49.2609 12.7955 7.31856 0.0101771 -0.00761512 -0.00722691 12
3539 217 H 49.0154 14.5925 5.73562 0.000194485 -0.00678126 -0.017212 12
3540 218 H 50.6838 15.0532 5.80327 -0.00153318 4.07436e-05 0.00817657 12
3541 219 H 51.3264 12.7437 4.83837 -0.00493931 -0.00744112 0.00154198 12
3542 220 H 49.5672 12.4752 4.6879 -0.0178808 0.0145372 0.00817795 12
3543 221 H 49.3603 14.4876 3.20507 -0.00100675 0.00290832 -0.00347905 12
3544 222 H 51.1198 14.7106 3.30877 -0.010504 0.00836669 -0.00300993 12
3545 223 H 51.4235 12.5104 2.04864 0.00441661 -0.00176085 0.00460011 12
3546 224 H 49.73 12.2346 2.07649 -0.00496411 0.00522453 -0.00343321 12
3547 225 H 50.9845 14.7034 0.705148 0.0125541 -0.00908756 -0.0113114 12
3548 226 H 50.4624 13.2515 -0.134038 0.000906402 -0.00359764 0.00149901 12
3549 227 H 49.2647 14.2271 0.689776 -0.00348593 -0.00386268 0.00218188 12
3550 228 H 39.7631 11.481 34.6312 0.00609784 -0.00611704 -0.000561639 12
3551 229 H 38.8929 11.9118 33.1778 0.00713297 -0.000961959 -0.00275979 12
3552 230 H 37.4805 9.96637 33.3209 -0.00120724 0.0047993 0.00204391 12
3553 231 H 38.5965 9.10526 34.4106 0.0030698 -0.00318333 -0.00576916 12
3554 232 H 36.8385 11.4788 35.2019 -0.0152203 -0.00257108 -0.00726129 12
3555 233 H 36.4554 9.78373 35.4408 -0.00165496 0.004612 -0.0140162 12
3556 234 H 38.2853 9.44775 36.9563 -0.00452981 0.00091502 -0.00491469 12
3557 235 H 39.0502 10.9977 36.5334 0.00930332 -0.0161314 -0.00633917 12
3558 236 H 37.928 12.2136 37.9321 -4.69124e-05 -0.00239665 0.000980135 12
3559 237 H 36.3744 11.351 37.7546 -0.000136983 -0.00986182 -0.0151208 12
3560 238 H 37.0993 9.5285 39.228 0.00769786 -0.00519013 -0.0201619 12
3561 239 H 38.7158 10.1905 39.2864 -0.000238002 -0.00585453 -0.0189506 12
3562 240 H 37.9505 12.1202 40.5411 0.000284035 0.00551247 -0.00421799 12
3563 241 H 36.2928 11.5722 40.4908 -0.000686437 -0.000958638 0.00701456 12
3564 242 H 36.8332 9.56689 41.8057 0.012299 -0.00783375 -0.00834524 12
3565 243 H 38.523 9.9083 41.7598 0.00484681 0.00466411 -0.00505176 12
3566 244 H 37.9962 12.1536 43.0418 0.0130407 -0.0103452 0.0119636 12
3567 245 H 36.3287 11.5855 43.0692 0.00282115 0.00899536 -0.0024576 12
3568 246 H 36.7982 9.71287 44.4113 0.000632414 -0.00188531 -0.000326268 12
3569 247 H 38.5719 9.95959 44.2734 0.00443998 0.0129998 0.00433906 12
3570 248 H 38.0747 12.2465 45.4549 0.00457403 -0.0068543 -0.00175786 12
3571 249 H 36.4146 11.7093 45.6266 -0.00321437 -0.00381411 0.00561653 12
3572 250 H 38.7468 10.2226 46.9759 0.00672019 0.013517 0.00638084 12
3573 251 H 37.7782 11.4984 47.7123 0.00887125 -0.00741052 0.00606616 12
3574 252 H 37.0271 9.94917 47.2007 -4.35446e-06 0.000254456 0.00777885 12
3575 253 H 45.9948 13.3444 33.96 -0.0100083 -0.00231997 0.0106152 12
3576 254 H 44.99 14.767 33.521 -0.00715537 0.00351211 0.00369246 12
3577 255 H 43.69 14.5917 35.567 0.00266932 0.00456936 -0.00309215 12
3578 256 H 44.5068 13.0807 35.9696 -0.00112991 -0.00582104 -0.00599561 12
3579 257 H 46.7173 14.6705 35.5796 -0.00701273 -0.00849042 -0.00513776 12
3580 258 H 45.6247 15.9478 35.9919 -0.00133197 0.00218454 0.0125123 12
3581 259 H 45.9734 13.3674 37.6682 8.24623e-05 0.000149277 -0.00615672 12
3582 260 H 47.0719 14.6757 37.8242 0.00272281 -0.00557296 -0.0020584 12
3583 261 H 45.1655 16.2448 38.4625 -0.00459138 -8.06177e-05 -0.00563506 12
3584 262 H 44.0598 14.8689 38.4832 0.00156617 -0.0126223 0.0014964 12
3585 263 H 45.6433 13.7874 40.2163 0.000503921 -0.00367476 0.00639825 12
3586 264 H 46.6105 15.2851 40.1532 -0.00482176 -0.000264953 0.00681884 12
3587 265 H 44.3314 16.5114 40.6992 -0.0112253 -0.00887237 -0.0152606 12
3588 266 H 43.6732 14.9365 40.9927 0.00274566 -0.00757071 7.38146e-05 12
3589 267 H 46.1249 16.0893 42.5278 -0.00539446 0.00870941 -0.0016094 12
3590 268 H 44.4904 16.1734 43.061 0.000572113 0.0113686 -0.00691166 12
3591 269 H 44.5994 13.4648 42.4783 0.00207862 0.00752824 0.00220861 12
3592 270 H 46.2888 13.7253 42.8522 0.00772258 -0.000143641 -0.00101569 12
3593 271 H 43.8771 14.4973 44.7008 0.00266912 0.00607218 -0.00873042 12
3594 272 H 44.636 12.9844 44.7079 0.00615064 -0.00538304 0.00534033 12
3595 273 H 45.575 14.0837 46.5822 0.0152213 0.00488087 0.00469212 12
3596 274 H 46.9081 14.0258 45.3893 0.00554438 -0.000991853 0.00706316 12
3597 275 H 45.1398 16.39 45.8724 -0.00742045 0.00136868 -0.00398125 12
3598 276 H 46.7144 16.1303 46.6012 0.00167685 3.47645e-05 -0.00658547 12
3599 277 H 46.5589 16.3853 44.7959 -0.0109479 -0.00455802 -0.00533752 12
3600 278 H 45.0549 5.9047 33.7354 0.00624823 -0.00649581 0.00440553 12
3601 279 H 46.0895 7.34692 34.0413 -0.00589145 0.0163628 -0.00679524 12
3602 280 H 43.6397 6.93325 35.7434 -0.00225949 -0.000341642 -0.00261256 12
3603 281 H 45.2328 7.65078 36.1336 0.00114118 0.000104065 -0.0059244 12
3604 282 H 46.2313 5.2615 35.9958 -0.00647244 -0.0122882 -0.00288182 12
3605 283 H 44.591 4.69821 36.2434 -0.00857191 0.00545084 -0.0066018 12
3606 284 H 44.4356 6.27524 38.2727 0.00933535 -0.00377743 0.0143509 12
3607 285 H 46.0845 6.70292 37.9753 0.00543244 -0.00273954 -0.00990473 12
3608 286 H 46.3116 3.98162 38.0491 -0.00524379 -0.0158956 0.00419124 12
3609 287 H 44.8123 4.17378 38.9456 -0.00399062 0.00048411 -0.0155333 12
3610 288 H 47.5029 5.5024 39.5317 -0.00910531 0.0109061 0.00850793 12
3611 289 H 46.8344 4.15522 40.4812 0.00802712 -0.00797364 -0.0075999 12
3612 290 H 45.6044 7.01429 40.4221 0.00271101 -0.000810867 0.00325162 12
3613 291 H 46.6833 6.32414 41.5899 -0.00482128 -0.0117976 0.0142062 12
3614 292 H 44.9831 4.4791 42.1036 -0.00940441 -0.00770641 -0.00712515 12
3615 293 H 43.8496 5.38807 41.0217 -0.00351023 0.0103528 0.0105053 12
3616 294 H 43.3692 5.84959 43.2949 -2.63252e-06 0.00405012 -0.000423513 12
3617 295 H 44.0034 7.32846 42.4839 0.00365747 0.00103492 0.00861621 12
3618 296 H 45.0895 7.33344 44.5879 -0.00425641 0.0110887 -0.0117339 12
3619 297 H 46.3163 6.51515 43.609 -0.00433098 -0.00195353 -0.00216356 12
3620 298 H 46.3508 5.04233 45.3084 -0.00309705 -0.00084563 0.0114015 12
3621 299 H 45.0429 4.24233 44.4408 -0.00413726 -0.000230605 -0.00218682 12
3622 300 H 44.8601 6.23116 46.6977 0.00857499 -0.00590703 -0.00194633 12
3623 301 H 44.4622 4.48394 46.8093 0.0124948 0.00412017 0.00944786 12
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3626 2 C 1.7999 20.3774 29.1734 -0.00098394 -0.000210668 0.0056137 13
3627 3 C 1.32468 19.2584 28.5216 -0.00258938 -0.00138281 0.00102922 13
3628 4 C 0.645419 18.2929 29.2693 0.00165867 0.000952319 -0.0011045 13
3629 5 C 0.525627 18.3694 30.7039 -0.00224318 0.00114419 0.00372196 13
3630 6 C 0.962586 19.5694 31.3502 0.00301248 -0.00118911 0.000921166 13
3631 7 C -3.88005 17.1326 30.4501 0.00320879 -0.00257902 -0.00385932 13
3632 8 C -3.80138 17.1056 29.0439 0.000580287 0.001845 0.000650411 13
3633 9 C -2.56782 17.0792 28.4137 0.000531929 -0.00111029 0.00137146 13
3634 10 C -1.40466 17.0167 29.1988 0.000840987 0.000903233 0.00226738 13
3635 11 C -1.47548 17.0628 30.6251 -0.00223549 0.000892689 0.000245871 13
3636 12 C -2.74594 17.1527 31.2604 0.000499074 1.1401e-05 0.0034893 13
3637 13 C 1.86008 13.8151 30.8137 -0.008926 -0.00118782 -0.00253386 13
3638 14 C 1.89943 13.8081 29.4245 -0.00424495 -0.00355224 -0.00278809 13
3639 15 C 1.31246 14.8016 28.7027 0.000999129 0.00902503 0.000803042 13
3640 16 C 0.667291 15.8505 29.3645 0.00262884 0.00262481 0.00142882 13
3641 17 C 0.0104086 17.0399 28.6393 -0.000121031 -0.00228642 0.00133004 13
3642 18 O 0.956445 14.7182 32.9086 -0.000828884 -0.00249282 0.0016035 13
3643 19 O -2.73113 17.264 32.6551 -0.000415393 -0.00239193 0.00346671 13
3644 20 O 0.818905 19.7524 32.7234 0.000868385 -0.00109926 -8.88518e-05 13
3645 21 C 1.1572 14.8097 31.5332 0.00139495 -0.0013692 0.00279778 13
3646 22 C 0.228904 17.0003 27.1962 -0.00284556 -0.00222699 -0.00155979 13
3647 23 C 0.667722 16.9759 26.0976 -0.00142401 0.00275061 0.00106822 13
3648 24 C 1.42107 16.9801 24.9199 -0.000479822 -0.000824114 0.000532399 13
3649 25 C 1.91651 15.8147 24.3252 -0.00211624 0.00130443 0.000490157 13
3650 26 C 2.83593 15.8987 23.2567 -0.000629548 -6.49795e-05 -0.00332846 13
3651 27 C 3.21509 17.1456 22.7354 -0.00215597 0.00106984 -0.000302163 13
3652 28 C 2.72117 18.3161 23.3491 0.00176905 -0.00120886 -0.0005232 13
3653 29 C 1.82839 18.2318 24.4438 0.00204864 1.62668e-05 -0.00152227 13
3654 30 C 4.07961 17.2779 21.5962 -1.82783e-05 0.000319408 -0.00361193 13
3655 31 C 4.64968 17.2656 20.54 0.000462079 -0.000311053 0.000599112 13
3656 32 C 3.65538 13.6814 18.3118 0.00156237 -0.000250874 -0.00237095 13
3657 33 C 3.91904 13.6366 16.9425 -0.00452 0.00214499 0.000318004 13
3658 34 C 4.46828 14.7634 16.3093 0.00168189 -0.000107191 -0.000829948 13
3659 35 C 4.77513 15.8967 17.0368 -0.0027027 -0.00255394 -0.000785733 13
3660 36 C 4.53997 15.9032 18.4211 0.000344105 0.00378638 0.000157218 13
3661 37 C 3.97189 14.8059 19.0716 -0.00200787 0.00101494 -0.00329721 13
3662 38 C 5.02896 17.1906 19.1173 -0.000809116 -0.001551 0.000666034 13
3663 39 C 8.88828 17.2221 19.2141 -0.000651387 -0.00432284 -0.000940111 13
3664 40 C 9.12548 17.3153 17.8317 -0.00615186 0.00196523 0.00395086 13
3665 41 C 8.07261 17.3043 16.9065 -0.00103441 0.00280646 0.00358169 13
3666 42 C 6.77793 17.1861 17.3927 0.00608943 -0.00183981 -0.00193074 13
3667 43 C 6.51608 17.2114 18.7859 -0.00106523 -0.00153864 0.0037123 13
3668 44 C 7.5904 17.2422 19.714 -0.000168231 -0.000618728 -0.000940136 13
3669 45 C 3.02748 20.3076 17.9431 0.00144772 -0.00238935 0.000694989 13
3670 46 C 3.22885 20.1758 16.5593 3.28207e-05 0.00172366 -0.000320542 13
3671 47 C 4.1062 19.2372 16.0544 -0.00235404 0.000889266 0.00428161 13
3672 48 C 4.63973 18.2828 16.9343 -0.00413019 -0.00418403 -0.000694932 13
3673 49 C 5.51956 17.1188 16.4926 0.00308854 -0.00106454 0.0036784 13
3674 50 C 4.41296 18.3564 18.3248 -0.00055299 0.00264361 -0.00379438 13
3675 51 C 3.61766 19.4095 18.8164 0.000100992 0.0027864 0.0020441 13
3676 52 O 8.35351 17.6347 15.6202 0.00201768 0.000765719 0.00034936 13
3677 53 O 4.80909 14.6912 14.9566 0.00165508 -0.00173644 -0.00393546 13
3678 54 O 4.48737 19.195 14.7215 0.0015832 -0.00756723 -0.00106863 13
3679 55 C -0.102031 17.1253 31.3465 -0.00188876 -0.000439203 -0.00512866 13
3680 56 C 0.631608 15.8902 30.7888 -0.0042002 -0.00221566 -0.00288009 13
3681 57 C 8.31414 16.649 14.5467 0.00142995 -0.00272392 0.00395345 13
3682 58 C 8.00385 17.4193 13.2555 -0.00220872 0.00773461 -0.00181559 13
3683 59 C 8.08911 16.5408 11.9578 -0.00255962 0.000987029 0.000133037 13
3684 60 C 7.74401 17.2512 10.6322 0.00259673 0.000777554 0.00256063 13
3685 61 C 7.87331 16.3955 9.3775 -0.00018388 -0.00133326 -0.00410772 13
3686 62 C 6.54962 16.2756 8.59868 -0.00488641 -0.00382751 0.00114065 13
3687 63 C 6.73221 15.6291 7.20543 -0.00128 0.000868556 -0.000568488 13
3688 64 C 6.95045 16.7033 6.12281 0.00018165 0.00436127 -0.00360268 13
3689 65 C 6.46792 16.2322 4.72169 -0.00252342 0.00288978 0.00115142 13
3690 66 C 7.52137 15.3336 3.97431 0.00326548 0.00312692 -0.00311012 13
3691 67 C 7.09653 15.0549 2.49666 -0.00106534 -0.00365391 0.00466561 13
3692 68 C 6.84016 16.2847 1.60298 -0.0019149 0.00035629 -0.0014853 13
3693 69 F 3.30306 14.7527 22.7277 0.000460356 -0.000893494 0.00121731 13
3694 70 C 5.1452 13.4427 14.3415 0.0035045 -0.00134408 -0.000870322 13
3695 71 C 5.82729 13.8077 12.9971 -7.32852e-05 0.00125008 -0.000343264 13
3696 72 C 6.18825 12.583 12.1297 0.00164786 -0.00761763 0.00114628 13
3697 73 C 6.70755 12.924 10.7138 -0.00222848 -0.0014025 -0.000742569 13
3698 74 C 6.76701 11.7712 9.69126 -0.00133634 -0.000297431 0.00616023 13
3699 75 C 7.13377 12.2802 8.27641 -0.00117315 0.000787693 0.00156004 13
3700 76 C 6.96925 11.2139 7.14105 -0.000512207 0.0036211 0.00244903 13
3701 77 C 7.18307 11.7877 5.74497 0.000410461 0.00163784 -0.000270862 13
3702 78 C 7.0648 10.7175 4.65091 -0.00217435 0.00544479 -0.000937912 13
3703 79 C 7.20773 11.3199 3.24269 0.00435118 0.00112088 -0.00299378 13
3704 80 C 7.18371 10.2494 2.14791 0.0039184 -0.00467983 5.65462e-05 13
3705 81 C 7.21816 10.7569 0.724104 -0.00236001 0.00177489 -0.000684399 13
3706 82 C 3.61854 18.4735 13.882 0.000895721 2.10322e-05 -0.00239394 13
3707 83 C 4.3954 18.0322 12.5933 -0.00137041 0.00163653 0.00399875 13
3708 84 C 3.458 17.4767 11.4921 0.0018365 0.00163419 0.000718252 13
3709 85 C 2.48986 18.4943 10.8283 -0.00114504 -0.00427196 -0.00273963 13
3710 86 C 3.07183 19.1174 9.53705 -9.60603e-06 -0.000204607 -0.00163238 13
3711 87 C 3.17537 18.154 8.38036 0.000833733 -0.00245454 0.000634179 13
3712 88 C 3.17143 18.9007 7.0201 -0.00225605 -0.000817337 0.000414856 13
3713 89 C 3.21176 17.9489 5.81625 -0.000207472 -0.00310113 -0.0002223 13
3714 90 C 2.9942 18.692 4.46528 -0.00215368 0.00263719 -0.000524629 13
3715 91 C 3.07841 17.7508 3.22023 0.00191192 0.00273443 -0.00121586 13
3716 92 C 2.6265 18.4452 1.91234 0.00377684 0.00355272 0.0027793 13
3717 93 C 3.71407 19.4363 1.42443 -0.000730927 -0.00218865 0.00160086 13
3718 94 C -3.72415 16.6307 33.5232 -0.00234028 0.000595907 -6.3115e-05 13
3719 95 C -4.95465 17.5319 33.831 0.00288696 -0.00270846 -0.000217483 13
3720 96 C -5.80732 17.2872 35.0923 -0.00172192 -0.000848392 -0.00213241 13
3721 97 C -5.01847 17.324 36.4343 0.00427893 0.000623369 -0.00225973 13
3722 98 C -5.98447 17.1838 37.602 0.00411567 0.00453581 0.00183052 13
3723 99 C -5.30661 17.2052 38.9961 -0.00109716 -7.01599e-05 -0.00342209 13
3724 100 C -6.32073 16.8867 40.0988 -4.03769e-05 -0.00217871 -0.00194478 13
3725 101 C -5.76937 17.0007 41.5584 -0.00490622 -0.000758914 -0.00253773 13
3726 102 C -6.8382 16.6988 42.6296 0.000142845 -0.00154992 -0.00302144 13
3727 103 C -6.56287 17.243 44.0182 -0.00306231 -0.00432273 0.00113251 13
3728 104 C -5.08392 17.1951 44.5415 0.00331443 0.00161479 -0.00208183 13
3729 105 C -5.0264 17.502 46.05 -0.00157488 -0.00281325 -0.00197378 13
3730 106 C 1.6454 20.7744 33.3375 -0.00153998 -0.00276705 0.00428563 13
3731 107 C 1.64748 20.8221 34.8953 0.00322886 -0.000290022 -0.00225641 13
3732 108 C 2.09304 22.2413 35.4083 -0.000633026 0.00138235 0.00369528 13
3733 109 C 1.76828 22.4759 36.9244 -0.00210597 -0.000926284 0.00139118 13
3734 110 C 2.61073 21.7171 38.0045 -0.00160923 -0.00622168 -0.00123351 13
3735 111 C 2.07563 22.117 39.34 0.000358815 0.00216795 0.001965 13
3736 112 C 2.65851 21.4189 40.5535 0.000209727 0.00382192 0.00239645 13
3737 113 C 1.94207 21.8968 41.855 0.00518494 -0.00349416 0.00351033 13
3738 114 C 2.60812 21.226 43.1006 0.00439601 -0.00273679 -0.0014262 13
3739 115 C 2.04248 21.7424 44.3831 -0.00142983 0.000221397 -0.0011131 13
3740 116 C 2.61152 21.0418 45.6585 0.000240777 -0.00141497 0.00305311 13
3741 117 C 2.11459 21.674 46.9568 0.00463917 7.70334e-05 -0.00281033 13
3742 118 C 1.93251 14.1597 33.7877 -0.00186448 0.000633578 0.00164725 13
3743 119 C 1.80768 12.6565 34.003 0.00513265 0.00266422 -0.00325932 13
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3889 265 H 2.52333 20.3516 40.3389 0.013844 0.000565651 0.0101125 13
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3892 268 H 0.853037 21.77 41.8184 0.00354785 0.0103881 0.00325299 13
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3894 270 H 3.69624 21.3619 43.0698 0.00283039 0.00880159 -0.00587235 13
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3928 2 C 5.90796 26.9897 29.7171 0.000327558 0.00349477 -0.00195417 14
3929 3 C 5.41447 25.9096 29.0123 -0.0029202 0.00540646 -0.000859149 14
3930 4 C 4.71899 24.8868 29.6876 -0.0021868 -0.000515739 -0.000429871 14
3931 5 C 4.4981 24.9988 31.0631 0.00116809 -0.00199781 -0.00102326 14
3932 6 C 4.97531 26.0894 31.7984 0.00121234 0.00290015 -0.00377435 14
3933 7 C 0.0373347 24.4538 30.3336 0.000758025 0.000252763 0.00032223 14
3934 8 C 0.250312 24.2184 28.9595 0.00274313 0.00658471 0.00237343 14
3935 9 C 1.51127 23.9282 28.5075 -0.00731607 -0.00233291 -0.00258303 14
3936 10 C 2.5643 23.8732 29.434 0.00327007 0.00110311 -0.00210081 14
3937 11 C 2.37474 24.0061 30.841 0.00465591 0.00223486 -0.0028268 14
3938 12 C 1.06615 24.2775 31.2972 0.00365929 0.00191121 2.69615e-05 14
3939 13 C 5.42183 20.3728 31.3394 -0.00194454 -0.00300833 0.000306177 14
3940 14 C 5.44121 20.2703 29.9589 -0.00179942 0.00133488 0.00559757 14
3941 15 C 5.04783 21.3557 29.1781 -0.00306983 -0.00144747 0.00109005 14
3942 16 C 4.55982 22.536 29.7448 0.00478398 0.000959827 0.00194649 14
3943 17 C 4.01285 23.7155 28.9869 0.00271595 0.00123029 0.00181816 14
3944 18 O 4.85784 21.6194 33.3578 -0.00419762 -0.00133185 0.00193272 14
3945 19 O 0.70933 24.3693 32.6197 0.00109639 -0.0025297 0.00129688 14
3946 20 O 4.77351 26.1604 33.1768 0.00263761 -0.00384343 -0.00227658 14
3947 21 C 4.95527 21.5556 31.9755 0.00117877 -0.000148076 0.00165666 14
3948 22 C 4.31364 23.667 27.5213 0.00181808 -0.00130653 -0.00291043 14
3949 23 C 4.8092 23.5444 26.4397 -0.00292232 -0.00290573 -0.00322182 14
3950 24 C 5.62471 23.4661 25.2954 0.0015969 -0.00234116 0.00177204 14
3951 25 C 6.84445 22.7437 25.3568 -0.000679908 -0.00374015 0.000461702 14
3952 26 C 7.73335 22.8045 24.2686 0.000936699 -0.00154935 0.00276467 14
3953 27 C 7.41868 23.6502 23.1892 -0.00262064 -0.00378867 0.00254524 14
3954 28 C 6.19351 24.3764 23.1486 0.00737607 0.00207911 0.00198353 14
3955 29 C 5.28488 24.2935 24.2098 0.000871408 -0.000380548 0.00237796 14
3956 30 C 8.24526 23.7369 22.042 0.0037917 -0.00108577 -0.000538069 14
3957 31 C 8.69894 23.8011 20.9205 0.000388363 0.00130445 -0.00225986 14
3958 32 C 7.12731 20.644 18.3877 -0.00107937 0.00116497 0.00237545 14
3959 33 C 7.2596 20.7352 16.9972 0.00563378 0.0029147 0.00473487 14
3960 34 C 7.91536 21.8483 16.4439 -0.000994093 0.000317137 0.00409671 14
3961 35 C 8.48908 22.8527 17.2676 0.000752727 0.00103232 0.00144052 14
3962 36 C 8.31561 22.7498 18.6389 -1.08057e-05 -0.000400882 -0.0028377 14
3963 37 C 7.69717 21.6153 19.2198 0.00140527 -0.00314257 0.00414613 14
3964 38 C 8.98319 23.876 19.4635 0.000239165 -0.0027746 -0.000436645 14
3965 39 C 12.8029 23.6062 19.3438 0.00365882 -0.00304108 -0.000110592 14
3966 40 C 12.9898 23.7348 17.9682 3.64203e-05 0.000599166 -0.00156123 14
3967 41 C 11.907 23.9594 17.1367 0.00138309 0.00440395 -0.00458876 14
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3969 43 C 10.4531 23.8113 19.0659 -0.00326916 0.000609438 0.00227209 14
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4230 2 C 9.64398 20.2944 29.6039 0.000258517 -0.000760187 0.00385882 15
4231 3 C 9.19887 19.1514 28.9554 0.00207351 -0.00240364 0.00173673 15
4232 4 C 8.58969 18.0987 29.6588 -0.000609969 0.000111069 7.80513e-05 15
4233 5 C 8.4275 18.2086 31.0549 -2.94561e-05 0.000507585 -0.00379615 15
4234 6 C 8.93287 19.3624 31.7476 0.000124228 0.00138461 -0.00291037 15
4235 7 C 3.94627 16.9952 30.285 -4.52382e-05 -0.00291375 -0.00150003 15
4236 8 C 4.2013 16.8659 28.8785 -0.00018942 0.00176505 0.000771729 15
4237 9 C 5.52749 16.8051 28.456 0.00360571 0.00257168 0.00128119 15
4238 10 C 6.54203 16.8675 29.4172 0.00389178 0.00218473 0.00047121 15
4239 11 C 6.30096 16.9394 30.809 -0.00145366 0.00781902 0.000686567 15
4240 12 C 4.94997 17.0177 31.2351 -0.00408439 0.00256359 -0.000324693 15
4241 13 C 9.55569 13.5576 31.3858 0.00584082 0.00253093 3.17083e-05 15
4242 14 C 9.7844 13.5035 30.0473 -0.00226647 0.000550414 0.000397568 15
4243 15 C 9.33885 14.5727 29.2572 -0.000389038 8.2549e-05 0.00113497 15
4244 16 C 8.64827 15.6592 29.8482 0.00185692 0.00146872 0.00285456 15
4245 17 C 8.0405 16.8106 29.0591 -0.000345037 0.00144181 -0.00210621 15
4246 18 O 8.80331 14.5502 33.3802 0.00120512 0.00303299 0.00165118 15
4247 19 O 4.61954 17.168 32.5685 -0.00186466 -0.000509501 -0.00120445 15
4248 20 O 8.98121 19.442 33.1393 0.000264751 -0.000588476 -0.000368051 15
4249 21 C 8.93546 14.646 32.0353 0.00248913 0.000429325 -0.00123141 15
4250 22 C 8.37597 16.7444 27.6069 0.00156233 0.00128743 0.000439298 15
4251 23 C 8.89372 16.7868 26.5269 -0.00189798 -0.00232808 -0.00315172 15
4252 24 C 9.72873 16.8324 25.3776 -0.002343 -0.00506968 0.0049987 15
4253 25 C 10.4888 15.6962 24.9865 -0.00233246 -0.000510283 -0.000185094 15
4254 26 C 11.3581 15.8097 23.8879 0.00299209 -0.000764819 -0.0036639 15
4255 27 C 11.5606 17.0345 23.27 0.00290037 9.37248e-05 -0.00445366 15
4256 28 C 10.8277 18.1414 23.7238 0.0019363 0.000573979 0.00192688 15
4257 29 C 9.90773 18.0896 24.7484 0.00109485 -0.00249023 0.00179207 15
4258 30 C 12.2673 17.1196 22.0328 0.00426033 -0.000540558 0.00154305 15
4259 31 C 12.6816 17.0863 20.9056 0.00130413 -0.0026642 -0.00176379 15
4260 32 C 11.1332 13.7462 18.5856 -0.00220327 0.000668618 0.00127318 15
4261 33 C 11.4728 13.7077 17.2378 -0.00114483 -0.00422517 -0.00224824 15
4262 34 C 12.1679 14.7556 16.6181 -0.0038887 -0.00207136 0.00644515 15
4263 35 C 12.4944 15.9089 17.3919 0.00140168 -0.000557016 0.000387276 15
4264 36 C 12.2717 15.9027 18.7606 -0.000960772 -0.00118371 -0.00164252 15
4265 37 C 11.5486 14.8344 19.3863 0.00103266 0.000636473 0.00361015 15
4266 38 C 12.9077 17.1205 19.4579 -0.00369037 0.00239464 -0.00302211 15
4267 39 C 16.7931 17.1205 19.1036 0.000553519 0.00347444 0.00187972 15
4268 40 C 16.8918 17.2861 17.7049 -0.00129973 -0.00305374 3.95268e-05 15
4269 41 C 15.7339 17.3319 16.914 0.000399729 0.00215332 -0.000476098 15
4270 42 C 14.4714 17.198 17.5087 -0.00237347 0.000704948 -0.000968063 15
4271 43 C 14.3626 17.1396 18.922 0.00348525 -0.00515126 0.0018363 15
4272 44 C 15.5021 17.1326 19.6939 -0.00101389 0.00079578 -0.00288701 15
4273 45 C 11.0329 20.3964 18.612 0.00489245 8.34175e-06 -0.00307185 15
4274 46 C 11.2174 20.4207 17.2165 -0.00183333 -0.000384245 0.00281357 15
4275 47 C 11.9317 19.3949 16.6049 0.0020049 -0.00171832 0.00137573 15
4276 48 C 12.4075 18.3415 17.4018 -0.00139504 0.00183306 -0.00272982 15
4277 49 C 13.1486 17.1359 16.8172 0.00198315 0.00271492 0.000213962 15
4278 50 C 12.2528 18.3244 18.7891 0.00167034 -0.00315128 0.00303708 15
4279 51 C 11.5038 19.3332 19.3939 -0.000493942 -0.000948373 -0.000361968 15
4280 52 O 15.8621 17.6534 15.5877 -0.00114252 0.00348646 -0.000373554 15
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4283 55 C 7.6317 17.0321 31.6841 8.54619e-05 -0.00258593 -0.00136086 15
4284 56 C 8.44979 15.7474 31.2658 0.000692898 0.000675977 0.000665548 15
4285 57 C 15.6697 16.6141 14.5893 0.00157342 0.00112197 -0.00288483 15
4286 58 C 15.79 17.2709 13.2083 -0.00498887 -0.00329421 -0.00399795 15
4287 59 C 15.1262 16.4765 12.0799 -0.00370283 -0.000926822 -0.00052731 15
4288 60 C 15.4996 16.8551 10.6304 0.00238874 0.00142019 -0.000631188 15
4289 61 C 14.6551 16.0553 9.59339 0.0020692 -0.00431987 0.00211722 15
4290 62 C 15.2364 15.8666 8.19167 -0.00334361 -0.000239491 0.00114703 15
4291 63 C 15.641 17.2026 7.48373 -0.000814556 0.00178468 -0.00319008 15
4292 64 C 15.9274 17.0065 6.01184 0.00120512 0.00175284 -0.000116247 15
4293 65 C 14.6102 17.0971 5.1463 -0.000854184 -0.00202656 -0.000126081 15
4294 66 C 14.9118 16.6871 3.6902 0.00192684 -0.00152994 -0.000405722 15
4295 67 C 15.546 17.7493 2.7844 0.00238427 0.00331397 -0.00114833 15
4296 68 C 15.5814 17.2297 1.33641 -0.000429636 0.000205008 -0.000660536 15
4297 69 F 11.9937 14.7162 23.4092 -0.000185633 0.000534369 -0.00156228 15
4298 70 C 13.0211 13.3964 14.7588 0.00222303 -0.000872953 -0.00203577 15
4299 71 C 13.8752 13.6513 13.5347 0.00403441 0.00174755 -0.000933764 15
4300 72 C 14.1667 12.393 12.7096 -0.000675708 -0.00158066 -0.000167079 15
4301 73 C 14.5346 12.6829 11.2378 -0.00225237 -0.00111572 -0.00304763 15
4302 74 C 14.9117 11.4603 10.429 -0.00137836 0.00233186 0.00235929 15
4303 75 C 15.6247 11.8384 9.09287 0.000337508 -0.000622038 0.00237251 15
4304 76 C 14.6296 12.2641 7.96802 0.00343581 -4.9662e-05 -0.00060935 15
4305 77 C 15.477 12.5838 6.7661 -0.000323385 -0.000806673 -0.00529823 15
4306 78 C 14.6479 12.8361 5.49228 -0.000274833 -0.00145226 0.00233302 15
4307 79 C 15.582 12.9649 4.30252 -0.0057458 -0.0026786 0.00262338 15
4308 80 C 14.8162 13.2762 2.99348 2.54462e-05 -0.000865235 -0.00168232 15
4309 81 C 14.0872 12.0716 2.34688 -0.0029273 -0.00158448 -0.00237415 15
4310 82 C 11.3669 18.8151 14.3768 -0.00133615 0.000688574 -0.00158066 15
4311 83 C 12.1099 18.971 13.0059 0.00675391 0.00227568 -0.000139118 15
4312 84 C 11.322 18.5128 11.7769 0.00364657 0.00159268 0.00108202 15
4313 85 C 12.008 18.831 10.4231 0.00319813 0.00321006 0.000574581 15
4314 86 C 11.1735 18.3595 9.22261 0.000441739 0.00154696 -6.06533e-05 15
4315 87 C 11.8718 18.6019 7.84962 0.00193872 0.00209563 0.000106796 15
4316 88 C 10.775 18.5328 6.77226 0.00198819 -0.000112299 0.00119611 15
4317 89 C 11.3662 18.4698 5.40124 0.00356372 0.00189498 0.000113675 15
4318 90 C 10.2544 18.554 4.33639 0.000128578 -0.00121557 -0.00529826 15
4319 91 C 10.5821 17.9911 2.94075 0.000778445 -0.00380081 9.07543e-05 15
4320 92 C 11.7747 18.7296 2.3424 -0.0027139 0.00185879 -0.000307732 15
4321 93 C 12.0559 18.3371 0.890546 0.000763757 0.000513981 0.00128502 15
4322 94 C 3.28643 17.3557 33.0175 -0.000236897 -0.000708768 0.000647912 15
4323 95 C 3.11638 17.2015 34.5428 -0.00112729 -0.0011568 0.00119791 15
4324 96 C 1.62221 17.3469 34.9394 0.00212896 -0.00103178 0.00323619 15
4325 97 C 1.34834 16.9018 36.3997 -0.000363189 -0.00540237 0.001473 15
4326 98 C 2.11272 17.6281 37.5208 -9.09016e-06 -0.000249185 -0.00152887 15
4327 99 C 1.83587 16.8678 38.8543 0.00103291 -0.00204098 0.00105905 15
4328 100 C 2.14457 17.6827 40.0892 -0.0008476 0.000930432 0.000214904 15
4329 101 C 1.93805 16.8003 41.3173 -0.00452079 0.000756113 0.00180883 15
4330 102 C 2.12809 17.5152 42.6545 -0.000344516 0.00338886 0.0016659 15
4331 103 C 2.24378 16.4669 43.7482 -0.00264665 0.00395164 -0.000360782 15
4332 104 C 2.38651 17.1299 45.1674 -0.00103836 0.000885874 0.0034795 15
4333 105 C 2.75575 16.1022 46.2885 -0.000424022 -0.000142437 0.00176547 15
4334 106 C 9.36724 20.689 33.7367 0.00133359 -0.00390147 -0.00202654 15
4335 107 C 9.57777 20.6323 35.2836 -0.00169338 -0.00258211 0.00220618 15
4336 108 C 10.0579 21.9691 35.8071 0.00252774 -0.00207805 -0.000696646 15
4337 109 C 9.64355 22.3111 37.2387 -0.00440107 -0.00205728 -0.00328455 15
4338 110 C 10.2343 21.4866 38.3908 -0.000121644 -0.00218454 -0.00128252 15
4339 111 C 10.3036 22.2529 39.7181 -0.000480924 -0.00344914 -0.00167527 15
4340 112 C 8.94514 22.2256 40.4987 -0.00364258 0.000353558 0.00239656 15
4341 113 C 8.64276 20.9642 41.3616 -0.00144808 0.000925573 -0.00407109 15
4342 114 C 9.54734 20.7092 42.5644 -0.000396888 -0.000450433 -6.89388e-05 15
4343 115 C 9.76373 21.8549 43.5637 0.00022594 -0.000907388 -0.00122323 15
4344 116 C 10.4772 21.3912 44.8049 0.00151338 0.00429852 -0.00279152 15
4345 117 C 9.49351 20.7048 45.778 -0.00114537 0.000345844 -0.00190431 15
4346 118 C 9.55834 13.6081 34.2218 0.00209817 0.000263096 -0.00231021 15
4347 119 C 8.94588 13.618 35.5995 -0.00223893 0.000769327 -0.00153928 15
4348 120 C 9.73665 12.8419 36.6676 -0.0014597 0.00178377 -0.000436675 15
4349 121 C 9.12908 13.0545 38.0687 0.00544051 2.53749e-06 -0.000642339 15
4350 122 C 10.1582 12.9184 39.1977 -0.000108523 -0.000409776 0.00359767 15
4351 123 C 9.51763 12.9125 40.5993 0.0035206 0.00397462 0.000759976 15
4352 124 C 10.4909 12.6755 41.7665 0.00176525 -0.00152819 0.00264734 15
4353 125 C 9.70614 12.7065 43.1009 -0.00251943 0.00285087 -0.000535803 15
4354 126 C 10.5865 12.2505 44.3099 0.00446898 -0.000278951 -0.00180195 15
4355 127 C 9.80016 12.3928 45.6378 0.000468339 -0.000366742 0.00385039 15
4356 128 C 10.4815 11.6979 46.7879 -0.000312281 0.000384737 0.00062941 15
4357 129 C 11.7952 12.3606 47.2685 -0.00152533 0.000511797 0.000387662 15
4358 130 F 10.2467 14.4811 25.5976 -0.00153703 0.000636406 0.00225754 15
4359 131 H 9.93551 21.3318 31.4154 -0.0151237 0.00113338 0.0113736 15
4360 132 H 10.117 21.0954 29.0435 -0.000699677 0.0055089 0.0119898 15
4361 133 H 9.26479 19.1438 27.8714 0.0121082 -0.000920155 0.00234431 15
4362 134 H 2.89828 17.1365 30.5322 0.00255078 0.00918335 0.00256838 15
4363 135 H 3.35113 16.8271 28.2038 -0.00751026 -0.00864994 0.010548 15
4364 136 H 5.78964 16.6994 27.4074 0.020924 0.00929757 0.00490596 15
4365 137 H 9.93693 12.6894 31.9153 0.00494392 -3.62164e-06 -0.00346759 15
4366 138 H 10.3288 12.6573 29.6386 -0.0133987 -0.00659867 0.000368795 15
4367 139 H 9.59949 14.5594 28.203 0.0144745 -0.00762416 0.00488719 15
4368 140 H 10.9965 19.1276 23.3016 -0.00618944 0.00387224 0.00635339 15
4369 141 H 9.40055 18.9928 25.0745 0.00117913 -0.00640193 0.0127521 15
4370 142 H 10.5873 12.95 19.0831 -0.00544389 -0.0108596 -0.0208417 15
4371 143 H 11.1853 12.8592 16.6238 -0.00664629 -0.00951913 0.00767485 15
4372 144 H 11.3588 14.8011 20.455 -0.013903 -0.00795034 0.000692218 15
4373 145 H 17.6879 17.0755 19.7173 0.00131648 -0.00287942 0.000295182 15
4374 146 H 17.8794 17.3122 17.2538 -0.00539216 0.000728366 -0.0086691 15
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4376 148 H 10.4302 21.1708 19.0773 -0.00302398 -0.0093968 0.00232886 15
4377 149 H 10.7602 21.2 16.614 0.00413642 -0.0013464 -0.00295586 15
4378 150 H 13.191 17.0876 15.7221 0.00861625 -0.0127462 0.00112682 15
4379 151 H 11.3061 19.3134 20.4616 0.0143749 -0.0096098 0.00223771 15
4380 152 H 7.47978 17.1471 32.7644 0.00831184 -0.0162259 0.00124758 15
4381 153 H 16.4231 15.8433 14.7932 -0.00143553 -0.00111749 -0.000182382 15
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4386 158 H 15.4119 15.4238 12.1969 0.00124126 0.00144707 0.00880503 15
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4399 171 H 13.9806 16.3533 3.2161 0.00570273 -0.0056808 -0.00491888 15
4400 172 H 15.5724 15.8131 3.63281 0.0073282 0.00211898 0.00645802 15
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4421 193 H 16.0782 11.6841 6.58583 -0.00144458 -0.00391262 0.00642395 15
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4426 198 H 14.0984 14.0886 3.16086 0.00539712 0.00206696 0.00708799 15
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4473 245 H 1.31437 18.2125 42.8893 0.0034721 0.00368067 0.0140978 15
4474 246 H 1.34965 15.8389 43.6506 0.00511625 -0.00745196 0.00193257 15
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4478 250 H 3.75117 15.6683 46.1327 0.00135446 0.00340708 0.0032365 15
4479 251 H 2.76289 16.5815 47.2752 0.00802933 0.00128197 0.00101445 15
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4484 256 H 10.3827 19.9158 35.489 -0.00353744 -0.00612518 -0.0029139 15
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4486 258 H 9.7292 22.8055 35.178 0.00305888 -0.00382488 -0.00329056 15
4487 259 H 10.0298 23.3215 37.4215 0.00401625 -0.00631665 0.00261542 15
4488 260 H 8.55223 22.315 37.3501 -0.00402198 0.0125521 -0.000113133 15
4489 261 H 9.59858 20.6045 38.5358 -0.00796163 0.00277784 -0.0053588 15
4490 262 H 11.2606 21.2302 38.1001 0.00177711 0.00285896 0.000944909 15
4491 263 H 11.0409 21.7234 40.334 0.00216127 0.00994896 0.00662872 15
4492 264 H 10.6102 23.292 39.5457 0.00946798 -0.00445615 0.0100101 15
4493 265 H 8.85871 23.1425 41.0947 0.00372514 0.00158061 0.00157666 15
4494 266 H 8.13449 22.3457 39.7694 -0.00416284 -0.00340945 0.00235765 15
4495 267 H 7.60607 21.1125 41.6883 -3.02257e-06 -0.0156714 0.00793591 15
4496 268 H 8.62157 20.069 40.7279 -0.0111768 0.0144652 -0.0228913 15
4497 269 H 9.1437 19.8003 43.0273 0.0109586 -0.00804948 -0.00504884 15
4498 270 H 10.5324 20.4148 42.1818 -0.00221141 0.00497807 -0.00891931 15
4499 271 H 10.3801 22.5944 43.0376 -0.00200718 -0.00164303 -0.00488409 15
4500 272 H 8.84195 22.3846 43.8343 -0.00843957 -0.0122457 -0.00862473 15
4501 273 H 11.2927 20.6978 44.565 0.0028075 0.00665257 -0.00517969 15
4502 274 H 10.9544 22.2471 45.298 -0.000623797 0.00226103 0.00281895 15
4503 275 H 8.79827 21.5022 46.068 0.00471121 0.00832179 -0.00972093 15
4504 276 H 8.83183 19.9353 45.3614 -0.00618483 0.0126037 -0.0165985 15
4505 277 H 10.0017 20.4113 46.7049 -0.0124242 -0.00105849 0.00383059 15
4506 278 H 9.4682 12.5695 33.8803 -0.00941948 -0.00255665 0.00925623 15
4507 279 H 10.6107 13.9024 34.3178 0.00299834 -0.00832243 0.0144055 15
4508 280 H 7.94333 13.1886 35.4815 -0.00444277 0.00251876 0.0109858 15
4509 281 H 8.85094 14.6587 35.9331 -0.0151932 -0.00225828 0.00417793 15
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4512 284 H 8.32419 12.3296 38.2418 -0.00971328 0.0184567 0.00608131 15
4513 285 H 8.75074 14.0791 38.1708 0.00628909 0.00168764 -0.0144796 15
4514 286 H 10.864 13.7573 39.1586 0.0051562 -0.00500139 0.000192187 15
4515 287 H 10.7423 11.9975 39.0793 -0.0051623 -0.00317111 0.00016493 15
4516 288 H 8.77633 12.1071 40.5273 -0.00139159 0.00881277 -0.00282356 15
4517 289 H 9.00813 13.8777 40.7099 -0.00747596 -0.0024729 0.00611808 15
4518 290 H 11.3576 13.3475 41.7903 0.00118958 -0.000527239 -0.00509403 15
4519 291 H 10.9204 11.6683 41.7 0.00888842 0.00289963 -0.0178477 15
4520 292 H 8.81903 12.063 43.0527 0.00225889 -0.00415009 0.00481591 15
4521 293 H 9.40848 13.7453 43.2896 0.000913557 0.00439103 -0.00356531 15
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4523 295 H 10.9302 11.2256 44.1232 0.00427972 -0.00148618 0.00452762 15
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4525 297 H 9.60127 13.4517 45.8443 -0.00564843 -5.49642e-05 -0.00361053 15
4526 298 H 10.6329 10.652 46.4935 -0.00556278 -0.0011321 0.00331642 15
4527 299 H 9.74055 11.7251 47.5963 0.0166867 -0.0218451 0.0169082 15
4528 300 H 12.6251 12.213 46.5664 -0.00432926 0.0046143 -0.00378787 15
4529 301 H 12.1186 11.9527 48.2341 0.00625031 -0.00117304 -0.00292416 15
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4531 1 C 13.4447 27.0764 31.4804 0.00392147 -0.00753174 0.00306157 16
4532 2 C 13.611 27.0413 30.0702 0.00107525 0.0058412 -0.00428941 16
4533 3 C 13.1433 25.9551 29.3568 -0.00365917 -0.000319016 0.00515751 16
4534 4 C 12.5067 24.8982 30.0866 -0.00115528 0.00027438 0.00476755 16
4535 5 C 12.2965 24.9475 31.4965 0.00183711 -0.000734954 0.00193424 16
4536 6 C 12.7418 26.0813 32.206 -0.00379658 0.000751613 0.000770097 16
4537 7 C 7.86967 23.7433 30.7958 0.00078787 -0.00212727 -0.00351816 16
4538 8 C 8.06353 23.6096 29.4276 0.00459591 0.000166805 0.00314079 16
4539 9 C 9.33444 23.6505 28.8926 -0.0040317 0.00139883 0.00083586 16
4540 10 C 10.4386 23.7303 29.7769 0.00441811 0.000723795 0.000408581 16
4541 11 C 10.2615 23.7152 31.2031 -0.00384793 -0.00769707 0.000140528 16
4542 12 C 8.92969 23.7673 31.7428 -0.000744399 0.00169883 -0.00168065 16
4543 13 C 13.4742 20.3098 31.5625 0.0071238 0.0029164 0.00529425 16
4544 14 C 13.5852 20.3149 30.1951 -0.00217628 0.000736368 0.00196079 16
4545 15 C 13.1054 21.3433 29.4618 0.00108883 0.00379865 0.00504523 16
4546 16 C 12.5235 22.4467 30.1257 0.00132431 0.0031913 0.00419927 16
4547 17 C 11.9259 23.6841 29.3876 0.00188425 0.00101894 0.00024988 16
4548 18 O 12.8116 21.2795 33.6654 -0.00155945 0.0026436 0.00341932 16
4549 19 O 8.67942 23.9311 33.1007 0.0022399 -0.00655203 -0.00158615 16
4550 20 O 12.6082 26.2683 33.5917 -0.00230492 0.00174885 -0.000669152 16
4551 21 C 12.8933 21.3733 32.2744 0.000687547 0.00172817 5.33836e-05 16
4552 22 C 12.25 23.6631 27.9516 0.00387905 0.00231374 -0.00291256 16
4553 23 C 12.7927 23.6619 26.8687 -0.00164213 0.00505891 -0.00189635 16
4554 24 C 13.67 23.6788 25.7016 -2.79862e-05 -0.00287403 -0.00166217 16
4555 25 C 14.7299 22.7324 25.5269 1.07742e-05 -0.00271578 0.000630963 16
4556 26 C 15.5356 22.7528 24.361 -0.000386208 0.00317793 -0.00243909 16
4557 27 C 15.2622 23.7247 23.3673 -0.00370722 -0.00425208 0.00368392 16
4558 28 C 14.2208 24.6704 23.5486 -2.12313e-05 -0.00202438 -0.00029178 16
4559 29 C 13.4563 24.6743 24.7174 0.00104036 0.00364486 0.00169879 16
4560 30 C 15.9876 23.7161 22.1477 0.00416059 -0.00381413 0.00177828 16
4561 31 C 16.4005 23.7306 21.0248 -0.00367412 0.000131108 -0.00255379 16
4562 32 C 14.9833 20.4437 18.5257 -0.000989483 6.57147e-05 0.00359917 16
4563 33 C 15.0378 20.5956 17.1171 0.000229112 -0.00419675 0.00213236 16
4564 34 C 15.8409 21.5937 16.5831 0.000939629 0.00127559 0.000898994 16
4565 35 C 16.3429 22.5938 17.419 -0.000447376 0.00170168 -0.00420651 16
4566 36 C 16.1262 22.5379 18.7969 0.00313496 0.004013 -0.00172915 16
4567 37 C 15.5275 21.4391 19.3749 0.00334924 -0.00132652 -0.00171766 16
4568 38 C 16.7089 23.7285 19.5917 -0.000480063 -0.00203889 -0.000851072 16
4569 39 C 20.5865 23.9734 19.4948 -0.002162 0.00113109 -0.0031808 16
4570 40 C 20.7716 24.0443 18.0868 -0.00115278 0.0022475 -0.00308408 16
4571 41 C 19.6958 23.8494 17.1961 -4.29097e-05 -0.00449942 0.00293152 16
4572 42 C 18.4008 23.723 17.7308 0.00556427 -0.000959803 0.00139547 16
4573 43 C 18.1776 23.7177 19.1452 0.00189262 0.000115861 0.00153146 16
4574 44 C 19.2845 23.7644 20.0125 -0.00211794 -0.00325877 -0.00260912 16
4575 45 C 15.1412 27.1919 18.7987 -0.000647957 -0.00117565 0.00129064 16
4576 46 C 15.4278 27.239 17.4136 -7.21965e-06 0.000145108 -0.00316235 16
4577 47 C 16.0252 26.1531 16.7891 0.00309963 0.000185641 0.00592004 16
4578 48 C 16.3675 25.0021 17.4956 -0.000407619 -0.00444621 0.00500097 16
4579 49 C 17.1128 23.8097 16.9329 0.00313649 -0.000733332 -0.000120606 16
4580 50 C 16.1317 24.9672 18.8872 -0.000412046 0.00232506 -0.00483143 16
4581 51 C 15.5615 26.0803 19.5565 0.00183677 0.00248115 -0.00085678 16
4582 52 O 19.9824 23.8944 15.8517 -0.000497967 -0.00246614 -0.00263335 16
4583 53 O 15.8762 21.7887 15.2108 0.00155244 -0.00343282 -0.000531116 16
4584 54 O 16.3508 26.2341 15.46 -0.00234314 -0.00174254 -0.00246625 16
4585 55 C 11.5698 23.7155 32.0248 -0.00253239 -0.000227667 0.000116917 16
4586 56 C 12.3767 22.4788 31.5272 -0.00223799 -0.00324612 0.00252867 16
4587 57 C 19.7169 22.6972 15.0819 -0.000103416 -0.00217626 0.00358922 16
4588 58 C 18.8155 22.9766 13.8605 0.00114352 0.00182629 -0.000618279 16
4589 59 C 19.457 22.9975 12.4503 0.0034678 0.00257933 -0.00612807 16
4590 60 C 18.4235 22.9719 11.3006 -0.00162722 0.00344456 0.000222248 16
4591 61 C 19.0992 23.3366 9.96227 0.00222094 -0.00118358 0.00149535 16
4592 62 C 18.1771 23.2052 8.73742 0.000847293 -0.00198929 -0.000785209 16
4593 63 C 18.9769 23.636 7.49122 -0.00197977 0.00133662 -0.00016736 16
4594 64 C 18.1713 23.3716 6.19949 0.00114002 0.00025917 0.000118168 16
4595 65 C 18.8054 23.8472 4.85852 -0.000303989 -0.000226387 0.000246196 16
4596 66 C 17.9305 23.5538 3.61934 -0.000462571 -0.00225965 0.00167677 16
4597 67 C 18.4679 24.2668 2.32953 -0.0029358 -2.21768e-07 0.0036831 16
4598 68 C 19.5222 23.4557 1.58952 0.00376254 -0.00163957 0.000317115 16
4599 69 F 16.5438 21.8448 24.2305 0.000284227 0.000174018 0.00160059 16
4600 70 C 15.3201 20.9132 14.2069 -0.00334822 -0.00369936 0.00116392 16
4601 71 C 15.2726 21.6597 12.8874 -0.00305351 0.00132609 -0.00116677 16
4602 72 C 15.184 20.7673 11.631 0.00221211 -0.00196105 -0.00672243 16
4603 73 C 15.0652 21.5465 10.2836 0.00142119 -0.00597514 0.001157 16
4604 74 C 14.9954 20.6217 9.04293 -0.00206339 -0.00197013 -0.00130478 16
4605 75 C 14.9552 21.4148 7.6776 -0.000593588 0.0041521 0.00198554 16
4606 76 C 15.0866 20.4408 6.48942 0.0065084 0.00513773 0.00323897 16
4607 77 C 15.549 20.933 5.11451 0.000684025 0.00116337 0.00505208 16
4608 78 C 14.5227 21.9123 4.45346 -0.000456828 0.00532844 -0.00217301 16
4609 79 C 14.1954 21.6211 2.98791 0.000975516 -0.000219791 0.00603012 16
4610 80 C 15.3633 21.8655 1.99973 0.00339356 -0.00469676 -0.00387243 16
4611 81 C 15.0309 21.2236 0.651594 -0.00155907 1.55044e-07 -0.00213248 16
4612 82 C 17.6966 26.398 15.127 0.00230215 0.00297758 0.00245865 16
4613 83 C 18.0285 26.5062 13.6199 -0.00155963 -0.000127859 -0.000279394 16
4614 84 C 18.0378 27.9256 13.1679 -0.000834134 -0.00401686 -0.00224103 16
4615 85 C 18.7299 28.2677 11.8252 -0.00444984 -0.00139217 -0.00137282 16
4616 86 C 18.2701 27.3838 10.6608 2.52958e-05 -0.00038041 0.00356938 16
4617 87 C 18.7032 28.0906 9.36754 0.00151334 0.00288691 0.00302747 16
4618 88 C 18.0266 27.5257 8.11639 -0.00395852 0.00160492 -0.00373491 16
4619 89 C 18.5151 28.1453 6.78809 -0.00137397 -0.000800151 -0.00144094 16
4620 90 C 17.6495 27.6491 5.66307 -0.00221902 -0.00180494 0.000701221 16
4621 91 C 18.2215 27.9383 4.27921 0.00321764 0.00326448 -0.00621251 16
4622 92 C 17.1756 27.4337 3.21867 0.00352129 0.000246547 0.00412509 16
4623 93 C 17.6113 27.6104 1.76252 0.00316453 -0.00397591 -0.00142672 16
4624 94 C 7.30221 23.722 33.5942 0.00411392 -0.00192851 -0.0011756 16
4625 95 C 7.103 24.0287 35.0893 -0.00140406 0.00228991 0.000237123 16
4626 96 C 5.6432 23.6928 35.4937 0.00327646 0.00010011 -0.00355978 16
4627 97 C 5.19146 24.2509 36.8619 0.00380151 0.00109598 -0.00256788 16
4628 98 C 5.87279 23.7273 38.1148 0.00014121 -0.00140413 0.00168478 16
4629 99 C 5.2058 24.3808 39.3272 -0.00199219 0.00602604 -0.00120011 16
4630 100 C 6.07161 24.5537 40.5993 -0.00318416 -0.00262618 -0.00106178 16
4631 101 C 5.65778 23.6089 41.7201 0.00268638 0.00487518 -0.00252203 16
4632 102 C 6.37871 24.0068 43.0186 -0.00148616 0.00126546 -0.0032098 16
4633 103 C 5.92908 23.1085 44.2103 0.000180983 -0.000830358 0.00305612 16
4634 104 C 6.53249 23.6081 45.5444 -0.00193556 -0.00884004 0.00131232 16
4635 105 C 5.97232 22.8461 46.7109 -0.000953705 -0.00124227 -0.000342846 16
4636 106 C 13.2278 27.4184 34.2648 -0.00159377 0.000397419 0.00318746 16
4637 107 C 13.1763 27.381 35.8132 0.00108683 0.0011153 -0.00533837 16
4638 108 C 13.9062 28.5739 36.4519 0.000295103 -0.00260998 -0.00103045 16
4639 109 C 14.2453 28.3826 37.9817 -0.00327004 -0.00413207 0.00220378 16
4640 110 C 13.0342 28.3325 38.9289 -0.00450951 0.00136642 0.00116923 16
4641 111 C 13.4046 27.9961 40.3624 0.000430516 -0.00346617 -0.00276078 16
4642 112 C 14.1187 29.09 41.1345 -0.00107701 -0.00120566 0.000237554 16
4643 113 C 14.3174 28.7084 42.6196 -0.00324881 0.00284558 0.00297131 16
4644 114 C 14.1811 29.9058 43.622 0.00455518 0.00244972 -0.00234637 16
4645 115 C 14.141 29.5282 45.1434 -0.000470526 0.000453496 -0.00298742 16
4646 116 C 13.18 28.3216 45.4553 -0.00071229 0.00158494 -0.000861755 16
4647 117 C 12.9062 28.0491 46.9528 -0.00187285 -0.00130095 -0.00162514 16
4648 118 C 13.5056 20.1572 34.338 0.00211143 -0.00247099 -0.000275873 16
4649 119 C 13.4344 20.3152 35.8532 0.000543254 -0.000199072 0.00364001 16
4650 120 C 14.0552 19.2124 36.7346 -0.00275051 0.0028155 -0.00316682 16
4651 121 C 14.0853 19.7501 38.1945 -0.00235054 0.000696001 -0.00114785 16
4652 122 C 14.2494 18.5688 39.1816 -0.00152249 0.00153876 0.000748213 16
4653 123 C 14.6634 19.0233 40.6007 0.00436336 -0.00169512 -0.0031787 16
4654 124 C 13.59 19.9503 41.2518 0.00608249 9.15649e-06 -0.000630475 16
4655 125 C 13.9674 20.4181 42.6618 0.00234764 0.00302994 2.73975e-05 16
4656 126 C 13.9227 19.3573 43.7649 -0.00120662 0.00158431 0.000309768 16
4657 127 C 14.6316 19.8474 45.0421 -0.00110284 -0.00257955 -0.000856495 16
4658 128 C 14.1839 19.2009 46.3614 -0.000766994 -0.002678 -9.55036e-05 16
4659 129 C 12.7483 19.5543 46.7802 -0.00158359 0.00358642 0.000842222 16
4660 130 F 14.929 21.7696 26.4012 0.00187715 0.00350216 -0.000226849 16
4661 131 H 13.8313 27.963 31.9742 0.000574031 -0.0104186 0.0108666 16
4662 132 H 14.0072 27.9122 29.5563 0.00113912 0.00292884 -0.00915837 16
4663 133 H 13.2665 25.9686 28.2779 0.00201902 0.00327043 0.00584853 16
4664 134 H 6.83371 23.8061 31.1156 0.00326259 -0.00116999 0.00431119 16
4665 135 H 7.21879 23.5952 28.7452 0.00229017 0.00475765 0.0058956 16
4666 136 H 9.42318 23.5325 27.8166 0.0143351 -0.0175439 0.00443792 16
4667 137 H 13.906 19.4523 32.0701 0.0101009 0.00784996 0.0111097 16
4668 138 H 14.0518 19.4763 29.6867 0.00516564 0.0103994 -0.00722741 16
4669 139 H 13.1744 21.2496 28.3821 -0.0158829 0.0139856 0.00308571 16
4670 140 H 14.0809 25.4647 22.8213 -0.013372 0.00269851 0.00744263 16
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4673 143 H 14.5812 19.8272 16.5002 0.00223448 -0.00450672 0.00103499 16
4674 144 H 15.4172 21.3676 20.4529 -0.00307599 -0.00969104 -0.00293198 16
4675 145 H 21.4037 24.1148 20.1959 -0.00180104 -0.00830716 -0.00169785 16
4676 146 H 21.7589 24.233 17.6758 0.005988 0.000463427 0.0132537 16
4677 147 H 19.103 23.7672 21.0832 0.00237594 -0.0190706 -0.00181855 16
4678 148 H 14.6091 28.0314 19.2365 0.00789424 0.000414799 0.00857299 16
4679 149 H 15.2004 28.1509 16.8694 0.00926512 0.00281722 -0.00256828 16
4680 150 H 17.2235 23.7924 15.8416 0.0112345 0.0259372 0.000302204 16
4681 151 H 15.3479 26.0386 20.6205 -0.00379194 0.00489887 -0.00189161 16
4682 152 H 11.394 23.6434 33.1052 0.00732983 -0.0147858 0.000780533 16
4683 153 H 20.6524 22.2272 14.7543 0.00393364 0.00446311 0.00558792 16
4684 154 H 19.1928 22.0002 15.7474 0.000101487 -0.0160025 -0.0107735 16
4685 155 H 18.1794 23.8596 13.9987 -0.00327208 0.00166664 -0.0198175 16
4686 156 H 18.0367 22.2069 13.7944 0.00123751 0.00159991 0.000967626 16
4687 157 H 20.1587 22.1638 12.324 0.00730737 0.00526667 -0.00255066 16
4688 158 H 20.0445 23.9216 12.3842 0.00610701 0.000867249 -0.00659401 16
4689 159 H 17.6439 23.7228 11.4789 -0.00986795 -0.00662798 0.00657696 16
4690 160 H 17.9216 21.9966 11.2838 -0.0035612 0.00434298 0.00543115 16
4691 161 H 19.9215 22.6208 9.84043 -0.00121135 -0.00597487 0.00638448 16
4692 162 H 19.5349 24.3401 10.0426 -0.0145213 0.0066625 -0.00591527 16
4693 163 H 17.2709 23.817 8.82616 0.00667108 0.00419908 0.0158745 16
4694 164 H 17.9004 22.1541 8.58887 0.00832171 -0.00348504 -0.0042147 16
4695 165 H 19.8958 23.0534 7.35044 -0.0048256 -0.00721977 0.0168969 16
4696 166 H 19.2362 24.6979 7.58414 0.00249234 2.05541e-05 0.00236871 16
4697 167 H 17.1534 23.776 6.26182 0.00515194 0.00851539 0.0118005 16
4698 168 H 18.0899 22.283 6.09162 -0.00989685 0.00110734 -0.000129384 16
4699 169 H 19.7916 23.3844 4.72971 -0.00443396 -0.00592629 -0.0108756 16
4700 170 H 18.9537 24.933 4.90993 0.0134443 -0.00202131 -0.00160374 16
4701 171 H 16.8949 23.8536 3.82233 0.00436457 0.0123072 0.00484739 16
4702 172 H 17.9946 22.4946 3.34125 -0.00338262 -0.000803631 -0.00458737 16
4703 173 H 18.9628 25.2105 2.59041 -0.00814253 0.00275154 0.00357965 16
4704 174 H 17.6048 24.4832 1.68795 -1.67301e-05 0.00331499 0.000884412 16
4705 175 H 20.4595 23.3749 2.15376 0.00502486 -0.00623829 -0.00243436 16
4706 176 H 19.7083 23.9392 0.622581 0.0124758 -0.00218165 0.00173368 16
4707 177 H 19.1366 22.4521 1.37171 0.00390512 -0.00049198 -0.0052354 16
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4709 179 H 14.3018 20.6053 14.4747 -0.00177592 -0.00853431 0.00159797 16
4710 180 H 14.4725 22.4025 12.9945 -0.00330113 0.00225907 -0.00964569 16
4711 181 H 16.1312 22.3327 12.7718 0.000353067 -0.00110037 0.0101338 16
4712 182 H 16.1056 20.1781 11.5483 0.00320566 -0.000883186 -0.00329276 16
4713 183 H 14.3526 20.0563 11.7119 0.0054626 -0.0052117 -0.00191559 16
4714 184 H 14.1481 22.1463 10.3336 -0.000759158 -0.00997592 0.00921954 16
4715 185 H 15.8466 22.2966 10.11 -0.000533063 -0.00375015 0.00195275 16
4716 186 H 15.8578 19.9448 9.00501 -0.00824064 -0.00984889 -0.00132854 16
4717 187 H 14.1221 19.9581 9.06392 -9.06409e-05 -0.00466011 -0.00398694 16
4718 188 H 13.9973 21.9417 7.58628 -0.000699727 0.00164418 -0.0113927 16
4719 189 H 15.7946 22.1209 7.68954 0.0023241 0.000646198 0.00507805 16
4720 190 H 15.8319 19.6908 6.78161 0.00798643 0.012899 0.0193809 16
4721 191 H 14.148 19.8817 6.39013 0.0064792 0.00579892 -0.000182151 16
4722 192 H 16.5438 21.3868 5.20316 0.00424768 -0.00801815 0.0122192 16
4723 193 H 15.7639 20.0768 4.46333 0.00734642 0.0128509 -0.00814784 16
4724 194 H 13.5608 21.9706 4.97767 0.00518596 0.0160357 0.00697316 16
4725 195 H 14.9727 22.9124 4.48145 -0.0118594 0.00991986 0.016281 16
4726 196 H 13.8623 20.5803 2.89219 -0.00624049 0.00338398 -0.0081651 16
4727 197 H 13.3277 22.2141 2.67348 0.0129945 0.00707253 -0.0133771 16
4728 198 H 15.5562 22.9423 1.91687 -0.01098 -0.00271136 -0.0113833 16
4729 199 H 16.2936 21.3943 2.34019 0.0125955 0.018596 0.0031992 16
4730 200 H 15.6964 21.6284 -0.120882 0.00900673 -0.00154799 0.00615922 16
4731 201 H 15.1824 20.1379 0.693545 0.00555475 0.001309 0.00624219 16
4732 202 H 14.0114 21.4702 0.330537 -0.00411157 -0.005769 0.00157537 16
4733 203 H 18.0681 27.2978 15.6327 0.0115132 -0.00165621 0.0039479 16
4734 204 H 18.2855 25.5554 15.5099 0.00143227 0.000956869 -0.000649906 16
4735 205 H 19.0124 26.0512 13.4516 -0.0114928 -0.0218627 0.000233664 16
4736 206 H 17.3165 25.9 13.0462 0.00411519 -0.00453476 -0.00266696 16
4737 207 H 16.9941 28.2434 13.0533 -0.00253951 -0.0128814 -0.0113172 16
4738 208 H 18.512 28.552 13.9334 -0.00144086 -0.0204234 0.0115493 16
4739 209 H 18.3649 29.2689 11.565 -0.0190315 -0.00584376 0.00182393 16
4740 210 H 19.8268 28.2657 11.8427 -0.00425444 -0.00544342 -0.0127353 16
4741 211 H 18.7075 26.3843 10.7748 -0.00587598 -0.0022965 0.00944048 16
4742 212 H 17.1792 27.2976 10.7389 0.00024608 -0.0108275 -0.00511188 16
4743 213 H 18.4538 29.1579 9.41393 0.0063482 0.00418907 -0.00100769 16
4744 214 H 19.7944 28.0194 9.27958 0.0015171 -0.00350448 0.00820728 16
4745 215 H 18.1889 26.4412 8.14458 0.00634469 0.0031634 -0.00309507 16
4746 216 H 16.9385 27.6444 8.18995 -0.00372976 0.00254251 -0.0018855 16
4747 217 H 18.437 29.2395 6.7985 -0.00447799 -0.000939927 -0.00933726 16
4748 218 H 19.5736 27.9484 6.57812 -0.00723796 -0.0313107 -0.00211376 16
4749 219 H 17.4943 26.5686 5.77214 -0.00139821 -0.00112734 0.00857867 16
4750 220 H 16.7103 28.2094 5.74872 -0.00126723 0.000796334 -0.0057786 16
4751 221 H 18.3901 29.011 4.12345 0.0154419 0.00336298 0.00789563 16
4752 222 H 19.182 27.4162 4.18902 0.00738505 0.00762448 0.0127877 16
4753 223 H 16.9328 26.3751 3.37296 -0.00857554 0.000938936 -0.0100284 16
4754 224 H 16.2355 27.9476 3.45458 0.00477962 0.00956844 -0.0113599 16
4755 225 H 16.7859 27.2826 1.11855 -0.00203213 -0.00633034 0.00642164 16
4756 226 H 17.8224 28.6672 1.55712 0.00463981 -0.00259014 0.00719824 16
4757 227 H 18.5032 27.0269 1.50295 0.00182176 -0.00555367 -0.00249636 16
4758 228 H 6.59295 24.3751 33.0709 0.00750985 -0.00193177 -0.00577243 16
4759 229 H 7.02331 22.6735 33.4322 -0.0114666 0.00255164 -0.00326076 16
4760 230 H 7.77926 23.5311 35.7953 0.00203171 0.0119956 0.00381514 16
4761 231 H 7.24379 25.0972 35.2939 -0.00335036 0.00354612 -0.00500048 16
4762 232 H 5.0143 24.0881 34.6865 -0.00104291 0.00874449 0.00406058 16
4763 233 H 5.46294 22.611 35.5211 -0.00762395 0.00224825 0.00964567 16
4764 234 H 5.27946 25.3437 36.824 -0.00654627 0.00156672 -0.0132209 16
4765 235 H 4.13079 24.0139 37.0109 0.00302843 0.000276085 -0.00943148 16
4766 236 H 5.79415 22.6345 38.1686 0.0164085 -0.00298841 -0.00657734 16
4767 237 H 6.937 23.986 38.052 -0.00304403 0.00886341 -0.0103662 16
4768 238 H 4.92641 25.4024 39.0415 -0.00104002 0.0113027 0.0167022 16
4769 239 H 4.26993 23.883 39.6096 0.00159461 -0.00474107 -0.00835551 16
4770 240 H 7.13531 24.504 40.3357 -0.00242837 0.0117278 -0.000763034 16
4771 241 H 5.89209 25.576 40.9543 0.0361296 0.00741492 -0.0101743 16
4772 242 H 4.57622 23.6713 41.8926 0.00257264 0.00920462 -0.00479895 16
4773 243 H 5.9333 22.576 41.4737 0.000105956 0.00170185 0.00786568 16
4774 244 H 7.47222 23.9761 42.9368 -0.00246672 -0.0227242 -0.00681682 16
4775 245 H 6.1775 25.0582 43.2587 -0.00270533 0.00395419 -0.0160363 16
4776 246 H 4.83704 23.0223 44.269 -0.00175874 0.00790916 -0.020289 16
4777 247 H 6.23287 22.0749 44.0031 -0.00725267 -0.000507218 -0.00954241 16
4778 248 H 7.62615 23.5361 45.5908 -0.00147715 -0.000245006 0.004126 16
4779 249 H 6.3016 24.6686 45.7035 0.000573362 -0.00723603 -0.00575987 16
4780 250 H 6.14217 21.7733 46.5573 -0.0164484 -0.00272939 -0.00693532 16
4781 251 H 6.54255 23.0825 47.6178 0.0144438 0.0029245 -0.0110951 16
4782 252 H 4.90206 23.0381 46.8562 -9.55947e-06 -0.00400235 0.0102657 16
4783 253 H 14.2908 27.478 34.0007 -0.00142831 -0.0113663 0.00126666 16
4784 254 H 12.8301 28.3585 33.8629 0.000979729 -0.00153472 -0.00391563 16
4785 255 H 12.1356 27.3253 36.1554 0.00561703 -0.016308 0.00559336 16
4786 256 H 13.7048 26.4786 36.1445 0.0127568 0.00928591 -0.00172735 16
4787 257 H 14.8353 28.8494 35.9377 0.00434805 -0.00627318 0.00430123 16
4788 258 H 13.2136 29.4245 36.4641 0.00623338 0.00212646 0.00659689 16
4789 259 H 14.901 27.5127 38.1105 -0.00258173 -0.00265277 0.00871229 16
4790 260 H 14.9043 29.1951 38.3119 0.000603778 -0.00841795 0.00503192 16
4791 261 H 12.5778 29.3301 38.9216 0.0202014 0.0127843 0.011431 16
4792 262 H 12.3203 27.5718 38.5896 0.00186215 0.00107416 -0.0115482 16
4793 263 H 12.4711 27.7278 40.8724 -0.0102258 0.00622505 -0.0171481 16
4794 264 H 13.9381 27.0386 40.3162 0.00423577 -0.00128925 -0.00370015 16
4795 265 H 15.11 29.3111 40.7199 0.00309885 -0.00237242 0.00956349 16
4796 266 H 13.5411 30.0193 41.0568 -0.0134628 -0.00962233 -0.00821796 16
4797 267 H 13.5416 27.9687 42.8528 -0.00625455 0.00832625 0.0103482 16
4798 268 H 15.2997 28.2376 42.7497 -0.00793195 -0.00502154 0.0098362 16
4799 269 H 15.0393 30.5706 43.464 0.00474409 0.002997 0.000979674 16
4800 270 H 13.285 30.5002 43.4049 0.00600314 0.00970242 0.0114706 16
4801 271 H 15.1614 29.2874 45.4662 -0.00454948 -0.0116099 0.00089136 16
4802 272 H 13.8312 30.3747 45.7687 -0.00534083 -0.00599368 0.00334359 16
4803 273 H 12.2238 28.4462 44.9324 -0.00201705 0.016145 0.00497922 16
4804 274 H 13.6664 27.4087 45.0899 -0.00953663 -0.00470655 0.00311558 16
4805 275 H 12.7224 26.9848 47.1443 -0.00795496 0.000172587 0.000684533 16
4806 276 H 13.805 28.2945 47.5319 -0.00587506 -0.00922458 0.00793908 16
4807 277 H 12.0832 28.6626 47.3398 0.00784242 0.00424562 0.0102717 16
4808 278 H 13.0073 19.2099 34.0976 0.00979001 -0.007653 0.00426516 16
4809 279 H 14.5456 20.1852 33.9899 0.00219193 -0.0285958 -0.00199669 16
4810 280 H 12.4195 20.4631 36.2426 -0.00163987 -0.00405462 -0.000618217 16
4811 281 H 13.9893 21.2368 36.0679 0.00575783 -0.00702637 0.0194814 16
4812 282 H 15.0603 18.9192 36.407 -0.0102036 -0.00660541 -0.017604 16
4813 283 H 13.45 18.2978 36.7123 0.00337285 -0.00137162 0.00200587 16
4814 284 H 13.1423 20.2719 38.3991 -0.00595869 -0.00653255 0.00063438 16
4815 285 H 14.8655 20.5056 38.3492 0.00447862 -0.00760656 0.00495121 16
4816 286 H 15.0495 17.8901 38.8614 -0.00665442 -0.00187657 -0.00477998 16
4817 287 H 13.3284 17.9852 39.3028 0.0021728 -0.00411583 0.00167067 16
4818 288 H 15.6358 19.5311 40.6064 0.00244527 0.00194899 0.0001184 16
4819 289 H 14.7983 18.1308 41.224 0.00524782 -0.00734001 -0.0114526 16
4820 290 H 12.6284 19.4253 41.307 0.00429961 0.00369086 0.00335897 16
4821 291 H 13.3789 20.8156 40.6113 -0.0020076 -0.0039781 -0.00337657 16
4822 292 H 13.2623 21.2009 42.9672 0.0011071 0.00866744 -0.0173187 16
4823 293 H 14.953 20.8997 42.6592 0.0080515 -0.00865347 0.00189474 16
4824 294 H 14.502 18.5075 43.3833 0.00662411 0.00756425 -0.00115124 16
4825 295 H 12.9028 18.9901 43.9336 0.000601998 -0.00514334 -0.00333772 16
4826 296 H 14.5623 20.9368 45.1504 0.00321647 -0.00294859 0.00569039 16
4827 297 H 15.7039 19.647 44.9256 -0.00131484 -0.00273622 -0.00253244 16
4828 298 H 14.8583 19.5678 47.145 -0.00737419 -0.00531412 0.00682928 16
4829 299 H 14.2557 18.1081 46.2973 -0.000344818 -0.00322363 0.00972358 16
4830 300 H 12.4817 19.1558 47.7669 0.0176422 -0.000431791 0.00439362 16
4831 301 H 11.9951 19.1894 46.071 -0.00413457 0.00104986 0.00485473 16
4832 302 H 12.6277 20.6424 46.8503 -0.00148301 0.00288832 0.0119409 16
4833 1 C 17.4037 20.3357 31.1206 0.00172808 -0.00403135 0.00208941 17
4834 2 C 17.5998 20.252 29.7293 -0.00220571 -0.00523567 -0.000530266 17
4835 3 C 17.0795 19.1651 29.0856 0.00170934 -0.00119403 -0.000456217 17
4836 4 C 16.4229 18.1078 29.8379 0.00442695 -0.00102816 -0.00413206 17
4837 5 C 16.2321 18.1921 31.2275 0.00290078 -0.00482036 0.0024955 17
4838 6 C 16.7292 19.3403 31.8712 -0.00111936 -0.00285741 -0.00392913 17
4839 7 C 11.7655 17.0378 30.5159 0.0036106 -0.00513591 0.0016266 17
4840 8 C 11.9767 16.9155 29.1234 -0.00368016 0.00618398 -0.00248887 17
4841 9 C 13.2751 16.8727 28.6746 0.00182371 -0.00233224 -0.000580898 17
4842 10 C 14.3453 16.8755 29.5651 0.000549238 -0.00281012 0.000102916 17
4843 11 C 14.1497 16.9858 30.9665 0.000755988 -0.00206105 -0.00167542 17
4844 12 C 12.8303 17.0297 31.4714 0.00231454 -0.00145795 0.00184585 17
4845 13 C 17.5299 13.7183 31.5628 0.000843894 -0.00361992 -0.00354976 17
4846 14 C 17.6494 13.652 30.1935 1.5938e-05 0.0016031 -0.000910193 17
4847 15 C 17.0449 14.6105 29.3981 0.00217411 0.000420599 -0.00416847 17
4848 16 C 16.353 15.6631 29.9975 0.00120739 -0.000534649 -0.000157817 17
4849 17 C 15.8121 16.8556 29.1584 0.00140464 -0.000343849 0.00169262 17
4850 18 O 16.5778 14.6161 33.5759 0.0029471 0.00278389 -0.000329049 17
4851 19 O 12.6256 17.065 32.8356 0.00166736 0.00266917 -0.000238908 17
4852 20 O 16.6409 19.4803 33.2325 -0.000963568 -0.00335192 0.000500553 17
4853 21 C 16.8022 14.7076 32.2167 0.00283148 0.002273 -0.00457047 17
4854 22 C 16.1723 16.8121 27.7376 -0.00171416 0.0053837 0.00182933 17
4855 23 C 16.7397 16.7097 26.6733 0.00226234 -0.000253428 0.000417985 17
4856 24 C 17.5962 16.6317 25.5221 -0.00222827 0.00511045 0.000923736 17
4857 25 C 18.2879 15.4529 25.1835 -0.00211026 -0.00088725 -2.09592e-05 17
4858 26 C 19.2507 15.491 24.1766 -0.00438538 0.00164269 0.000925533 17
4859 27 C 19.5923 16.7264 23.5709 -0.00161508 0.00166905 0.0040276 17
4860 28 C 18.9492 17.9106 23.9821 -0.000783991 0.00370488 0.000990726 17
4861 29 C 17.9519 17.8715 24.9533 0.000652594 -0.00153055 -0.00408743 17
4862 30 C 20.3422 16.7779 22.3262 -0.00128716 -0.000232206 -0.00164958 17
4863 31 C 20.7624 16.8623 21.2126 -0.00450357 -0.000872514 0.00122346 17
4864 32 C 19.1349 13.6655 18.7815 -0.00357237 -0.00505203 -0.00122219 17
4865 33 C 19.3238 13.7056 17.4028 0.00258027 0.00182699 0.00133241 17
4866 34 C 19.8962 14.8559 16.8412 0.00287162 0.00272612 -0.0012954 17
4867 35 C 20.3178 15.913 17.6245 0.00149451 0.00291055 0.00340914 17
4868 36 C 20.2251 15.8095 19.0266 -0.000517276 -0.00526867 -0.00825655 17
4869 37 C 19.5323 14.7444 19.5942 0.0017567 -0.000423556 0.00344485 17
4870 38 C 20.9211 16.972 19.7771 0.00183731 0.00181372 -0.00158882 17
4871 39 C 24.7424 16.7485 19.1738 0.00294748 -0.00263105 0.0030664 17
4872 40 C 24.7431 16.8114 17.7353 -0.00126998 -0.00214499 -0.00104363 17
4873 41 C 23.5561 17.1144 17.0491 -0.00027814 -0.00547686 -0.00437563 17
4874 42 C 22.3617 17.1492 17.791 -0.000991283 -0.00405786 0.00137584 17
4875 43 C 22.371 17.054 19.1894 0.00338227 -0.00257293 0.00371885 17
4876 44 C 23.5662 16.8898 19.9162 0.00311341 0.003599 0.0016091 17
4877 45 C 18.8715 20.2469 19.3507 -0.00263114 0.000176097 0.00117951 17
4878 46 C 18.9123 20.3384 17.9274 0.000235352 -0.00534804 -0.000886519 17
4879 47 C 19.6588 19.4178 17.1868 0.00122683 0.00375711 -0.00852073 17
4880 48 C 20.2594 18.3561 17.8431 -0.00221885 0.00179565 -0.00399027 17
4881 49 C 20.9708 17.1858 17.1386 -0.003262 -0.000395013 -0.00213254 17
4882 50 C 20.1994 18.2343 19.237 0.00171203 0.0029276 -0.000129237 17
4883 51 C 19.509 19.207 20.0224 0.00103476 -0.000171297 -0.00352599 17
4884 52 O 23.4439 17.1551 15.7096 0.00243055 -0.000392696 -0.00370165 17
4885 53 O 20.0338 14.9277 15.4648 -0.00263433 -0.00364245 -0.000687585 17
4886 54 O 19.6868 19.4309 15.7947 0.00279327 0.00157654 0.000447873 17
4887 55 C 15.4466 16.9935 31.8407 0.00070969 -0.000709438 0.00236053 17
4888 56 C 16.1978 15.7087 31.3988 0.001782 0.00302684 -0.000222497 17
4889 57 C 24.4987 17.7128 14.8814 0.000802576 -0.00172435 -0.00302955 17
4890 58 C 23.9385 17.776 13.4336 0.00136599 -0.00196446 0.00332876 17
4891 59 C 22.7938 16.8094 13.0643 -0.00149885 -0.00337973 0.0017106 17
4892 60 C 22.2033 17.1857 11.6907 0.0024088 -0.00300105 6.34168e-05 17
4893 61 C 22.9829 16.7003 10.4663 -0.00124475 -0.00381759 -0.00298698 17
4894 62 C 22.6013 17.4297 9.18711 0.00272903 -0.00301669 0.000714736 17
4895 63 C 22.9082 16.6219 7.87996 -0.000971638 -0.00291309 0.000240635 17
4896 64 C 22.6895 17.4284 6.56891 -0.00128117 -0.00330837 -0.000661155 17
4897 65 C 23.0189 16.6066 5.34275 0.00343873 -0.000169324 -0.00394703 17
4898 66 C 23.3927 17.4885 4.1042 0.00154486 -0.00181539 -0.00363908 17
4899 67 C 23.649 16.6902 2.81845 -0.00228154 2.14398e-05 0.00300454 17
4900 68 C 22.4038 16.3891 1.93661 -0.000424679 0.00262714 0.00436862 17
4901 69 F 19.7973 14.3726 23.7145 0.000693037 -0.000702744 0.00162316 17
4902 70 C 21.2634 14.4778 14.7795 -0.00546755 -0.00161439 -0.00108154 17
4903 71 C 21.292 12.9449 14.7155 -0.00157678 -0.00125472 0.00227693 17
4904 72 C 22.3141 12.4082 13.6568 0.000127049 -0.000828925 0.000195254 17
4905 73 C 21.9519 12.5844 12.1489 0.00265127 -0.00146334 0.000656682 17
4906 74 C 23.0442 11.8514 11.3208 0.00343154 -0.00281884 -0.00288075 17
4907 75 C 22.6725 11.5594 9.83594 0.00111608 0.000188583 -0.00236494 17
4908 76 C 22.953 12.6594 8.79736 0.00207489 0.0016991 -7.6511e-05 17
4909 77 C 22.6062 12.0909 7.41588 0.000969057 0.0027935 0.0028329 17
4910 78 C 22.9491 13.0925 6.30925 -0.00429979 -0.0021458 0.0050785 17
4911 79 C 22.5571 12.3863 4.99209 0.00347228 -0.000762929 0.00430782 17
4912 80 C 22.6308 13.3353 3.77878 -0.000193146 -0.00346337 0.00408046 17
4913 81 C 22.2789 12.6098 2.4364 0.00113108 -0.000512323 0.00583807 17
4914 82 C 18.4743 19.3707 15.1001 -0.000304172 0.000334261 -1.41896e-05 17
4915 83 C 18.7552 19.6809 13.5741 0.00153852 0.00529142 -0.000632514 17
4916 84 C 19.337 18.4899 12.8104 -0.00150513 0.000221619 0.0019238 17
4917 85 C 18.8046 18.3434 11.3593 0.00146187 -1.99935e-06 -0.00279429 17
4918 86 C 19.4656 19.2605 10.3552 0.00102605 0.000631017 -0.00387582 17
4919 87 C 18.9779 18.9778 8.90552 0.00321757 -0.00110734 0.00172423 17
4920 88 C 19.7538 19.6899 7.81243 -0.00193246 -0.00195819 0.00168301 17
4921 89 C 19.1753 19.4056 6.42942 -0.00222409 -0.0029004 0.00271457 17
4922 90 C 19.9814 20.1205 5.33806 -0.000405279 -0.00138775 -0.00385075 17
4923 91 C 19.329 20.1591 3.93805 -0.00529846 0.00499657 -0.0035935 17
4924 92 C 19.5607 18.899 3.08072 0.00124242 -0.000552457 -0.00207054 17
4925 93 C 18.9533 19.2258 1.69415 -0.00247171 -0.00190872 0.00295139 17
4926 94 C 11.2751 17.3347 33.3021 -0.00159894 0.00166188 0.00246585 17
4927 95 C 11.1482 17.1091 34.8325 0.00100049 -0.00358705 -0.00362662 17
4928 96 C 9.69651 17.1405 35.3654 0.000714421 -0.00462417 -0.00227354 17
4929 97 C 9.56965 16.9347 36.8988 0.00104813 -0.00104002 0.00124885 17
4930 98 C 10.3676 17.9143 37.7774 -0.00305777 -0.00300355 0.000378273 17
4931 99 C 10.0128 17.9024 39.2915 0.00258226 0.00228446 0.00254871 17
4932 100 C 9.68887 16.5372 39.9401 -0.000626744 -7.7644e-05 -0.000756798 17
4933 101 C 9.59647 16.5686 41.5093 -0.00333341 0.00104069 0.000690474 17
4934 102 C 10.8651 17.0259 42.2299 -0.00354358 0.00616536 0.0016112 17
4935 103 C 10.9223 16.5466 43.6758 0.00195122 0.00216872 0.000258595 17
4936 104 C 9.9385 17.2212 44.6261 -0.0023484 -0.0024803 0.00415406 17
4937 105 C 10.0911 16.7558 46.0651 0.00255107 0.00470063 -0.000827469 17
4938 106 C 17.3033 20.5831 33.8652 0.000655135 -0.000872103 0.00125719 17
4939 107 C 17.0329 20.6953 35.3563 -0.00120442 -0.00208686 -0.00184944 17
4940 108 C 17.7104 21.9344 35.9662 6.38615e-05 0.000667386 -0.00187687 17
4941 109 C 17.4432 22.1153 37.5086 -0.00162317 -0.000987095 -0.00250914 17
4942 110 C 17.9193 20.9141 38.377 -0.00111343 0.00208103 7.53223e-05 17
4943 111 C 18.2574 21.2442 39.8492 -0.00137702 0.00340881 0.00399201 17
4944 112 C 17.2403 22.1283 40.6525 -0.00276407 -0.00071275 -0.00254299 17
4945 113 C 17.7155 22.4926 42.0576 -0.00299248 -0.00491432 0.00168739 17
4946 114 C 18.0694 21.2511 42.8736 -0.000155561 0.00273587 -0.000270238 17
4947 115 C 18.6325 21.4918 44.2898 0.00365517 0.00136804 -9.02487e-05 17
4948 116 C 17.6999 22.3705 45.1388 -0.00327326 -0.00246709 0.00176404 17
4949 117 C 18.1446 22.415 46.6224 -0.000929324 -0.00109153 -0.00205999 17
4950 118 C 17.3225 13.6843 34.4134 0.00164571 -0.000918877 0.00180804 17
4951 119 C 16.8139 13.6089 35.8585 0.00335996 0.000127918 -0.00494679 17
4952 120 C 17.7186 12.7878 36.7951 -0.000846262 -0.00283883 -0.00119274 17
4953 121 C 17.0325 12.4784 38.1507 -0.00241479 -0.00205819 0.0015379 17
4954 122 C 18.0805 12.3478 39.2921 -0.000263873 -0.000205903 -0.00171529 17
4955 123 C 17.3451 12.1348 40.58 0.00177166 0.000521121 0.00236814 17
4956 124 C 18.1481 12.5344 41.8014 -0.00142572 -0.00209992 0.00420811 17
4957 125 C 17.4042 12.1536 43.0767 0.00019038 -0.00120715 0.00241453 17
4958 126 C 18.0551 12.6844 44.3355 0.00181131 0.000648268 -0.00116328 17
4959 127 C 17.3867 12.0904 45.5715 0.00376381 0.00334864 1.11197e-06 17
4960 128 C 18.1374 12.5207 46.8651 -0.000880013 -0.00120845 0.00488299 17
4961 129 C 17.5287 11.9085 48.1129 -0.00164353 -0.00805114 2.02553e-05 17
4962 130 F 17.9375 14.2613 25.7075 0.000594202 2.36354e-05 -0.000260094 17
4963 131 H 17.8329 21.223 31.5766 -0.000232601 -0.00429124 0.00443898 17
4964 132 H 18.1187 21.0371 29.1874 -0.00465659 -0.00329704 -7.2542e-05 17
4965 133 H 17.2837 19.1302 28.0196 0.00934598 0.00157965 0.000900991 17
4966 134 H 10.7368 17.1305 30.8514 0.00228511 -0.0169107 0.000789704 17
4967 135 H 11.1651 16.816 28.4087 0.000711338 -0.00377091 -0.00611456 17
4968 136 H 13.4736 16.8035 27.6092 0.00261576 -0.013302 0.000279794 17
4969 137 H 18.0652 12.983 32.1562 0.0209449 0.00603001 -0.00971318 17
4970 138 H 18.274 12.8934 29.731 0.0157004 0.00889552 0.00826571 17
4971 139 H 17.1614 14.5103 28.323 -0.00286074 0.000294756 -0.00470221 17
4972 140 H 19.2114 18.8628 23.5306 -0.00812465 0.00590812 0.00137923 17
4973 141 H 17.4569 18.7825 25.2766 -0.00215607 0.00038604 -0.0137945 17
4974 142 H 18.6631 12.8247 19.2813 0.000333016 0.00136864 0.0133163 17
4975 143 H 18.9989 12.8955 16.7565 -0.0150905 -0.00352307 0.0169473 17
4976 144 H 19.3942 14.6343 20.6658 -0.0073853 -0.00365041 0.00194232 17
4977 145 H 25.6775 16.5021 19.668 0.00186717 0.00718717 0.00996344 17
4978 146 H 25.6807 16.6505 17.2115 -0.00386785 -0.0239295 0.00101265 17
4979 147 H 23.5513 16.8188 20.9997 -0.000425775 -0.006706 0.000880585 17
4980 148 H 18.2988 20.9814 19.9092 7.99625e-06 0.006191 -0.00401352 17
4981 149 H 18.3517 21.1455 17.4651 0.00746007 0.000477401 0.000520805 17
4982 150 H 21.0247 17.289 16.0478 -0.00244359 -0.00290192 -0.00232914 17
4983 151 H 19.4287 19.1133 21.1014 -0.00463254 -0.00202365 -0.00410759 17
4984 152 H 15.2857 17.0813 32.9223 -0.00322926 -0.00234588 0.00190595 17
4985 153 H 24.7611 18.7224 15.2208 0.00971201 -0.00269697 -0.00705032 17
4986 154 H 25.3694 17.0462 14.9127 0.00190806 0.000581252 0.0149003 17
4987 155 H 24.7828 17.6463 12.7454 0.000600741 0.0141424 -0.000639126 17
4988 156 H 23.5766 18.8024 13.2954 0.006246 -0.0033847 -0.0199129 17
4989 157 H 21.9914 16.9029 13.8065 -0.00380091 0.00591768 -0.00195162 17
4990 158 H 23.1269 15.7645 13.0402 0.00565781 -0.00129599 0.0105378 17
4991 159 H 22.1783 18.2806 11.6283 -0.00571158 -0.00306144 0.00241395 17
4992 160 H 21.1813 16.7872 11.6747 -0.00173583 0.00729998 0.00866645 17
4993 161 H 22.7926 15.6301 10.3188 -0.00362021 -0.000922245 -0.0210384 17
4994 162 H 24.0644 16.8352 10.5912 -0.00107766 -0.00777055 -0.000189098 17
4995 163 H 23.1306 18.3905 9.17649 -0.00778307 0.00287309 0.00916355 17
4996 164 H 21.5293 17.659 9.22868 0.000703865 -0.0129747 0.00342198 17
4997 165 H 22.3635 15.671 7.82986 0.00122831 -0.00473118 0.0109378 17
4998 166 H 23.9559 16.3015 7.93505 -0.00153167 -0.00464283 0.000877224 17
4999 167 H 23.323 18.3239 6.56855 0.0076397 -0.00962265 -0.00883806 17
5000 168 H 21.6476 17.7569 6.46933 0.00251599 0.00604817 -0.00957836 17
5001 169 H 22.1368 15.9962 5.11317 -0.00515656 0.00774905 0.00807128 17
5002 170 H 23.8331 15.8883 5.49902 -0.000378374 -0.00441396 -0.00354451 17
5003 171 H 24.3048 18.0629 4.30805 0.00604072 -0.0123775 0.00594651 17
5004 172 H 22.5814 18.2159 3.9767 -0.00493632 -0.00981407 -0.00797321 17
5005 173 H 24.2078 15.7767 3.05648 -0.00149444 0.00350178 0.0145264 17
5006 174 H 24.3051 17.293 2.17848 0.00726973 -0.00530332 0.00779737 17
5007 175 H 21.5852 15.9339 2.50771 -0.00398378 -0.0106187 -0.0112952 17
5008 176 H 22.6993 15.6951 1.14004 -0.0145113 -0.00590961 0.00658372 17
5009 177 H 22.0133 17.3397 1.55291 -0.00749752 0.0012107 0.0080396 17
5010 178 H 21.1723 14.8134 13.7391 -0.00634661 0.00173422 7.65622e-05 17
5011 179 H 22.1689 14.9065 15.2264 -0.00343152 0.00641783 -0.0128952 17
5012 180 H 21.4774 12.5669 15.7285 0.00358258 0.00170773 0.00243219 17
5013 181 H 20.316 12.5211 14.4488 6.88797e-06 -0.00416862 0.00109715 17
5014 182 H 23.2858 12.8983 13.7949 -0.00157905 0.000814177 0.00632954 17
5015 183 H 22.4499 11.3544 13.9295 0.0131907 0.00334303 0.00985042 17
5016 184 H 21.0271 12.0848 11.8349 -5.4511e-05 -0.00113591 0.00817951 17
5017 185 H 21.9139 13.6543 11.9096 -0.00474351 -0.00221726 -0.00150998 17
5018 186 H 23.9894 12.4066 11.3631 0.00243252 -0.00126582 -0.000925017 17
5019 187 H 23.205 10.8817 11.8079 0.000230692 -0.0108942 -0.0179076 17
5020 188 H 23.3232 10.7351 9.51883 -0.00243649 -0.00481929 0.00339612 17
5021 189 H 21.6481 11.1727 9.76771 -0.00186115 0.00816063 -0.00275395 17
5022 190 H 22.3824 13.5808 8.96704 -0.00453672 -0.000253888 -0.0116033 17
5023 191 H 24.0274 12.8794 8.77393 0.00211308 0.00246632 0.00950396 17
5024 192 H 23.3555 11.301 7.28158 -0.00820137 -0.00362608 -0.01008 17
5025 193 H 21.5705 11.7374 7.34014 -0.00360472 0.015618 0.00531984 17
5026 194 H 22.3607 14.0148 6.39078 0.0148227 0.0114677 -0.0108133 17
5027 195 H 24.0239 13.3125 6.31014 -0.00613559 0.00681169 0.000617104 17
5028 196 H 23.2011 11.509 4.85447 0.00487504 0.00360385 -0.0168272 17
5029 197 H 21.5489 11.9608 5.06872 0.00524951 -0.00721197 -0.00808558 17
5030 198 H 21.9973 14.2089 3.97586 -0.00705128 -0.00850026 0.0043514 17
5031 199 H 23.6753 13.6632 3.70841 -0.00299208 0.00501006 0.00220118 17
5032 200 H 22.5788 13.2221 1.57704 0.00281165 -0.00148811 0.0057264 17
5033 201 H 22.812 11.6583 2.31885 -0.00487751 -0.0042239 0.00859002 17
5034 202 H 21.2207 12.3264 2.37921 -0.00237789 0.0126557 0.0058863 17
5035 203 H 17.9924 18.386 15.1404 -0.00578878 0.00242583 -0.0134022 17
5036 204 H 17.786 20.13 15.4913 0.00116766 0.00258148 -0.00178056 17
5037 205 H 17.8279 20.0228 13.098 0.00249286 0.0148074 0.00434669 17
5038 206 H 19.5208 20.4652 13.5269 0.0155952 -0.00811247 0.00414764 17
5039 207 H 20.4326 18.4609 12.8587 -0.00118414 -0.0202085 -0.0158942 17
5040 208 H 19.061 17.5476 13.2996 0.00247886 0.00500493 0.0133487 17
5041 209 H 18.9063 17.2936 11.0577 -0.00217678 -0.00101587 -0.000507419 17
5042 210 H 17.7281 18.5538 11.3753 0.00198316 0.00150998 0.0139645 17
5043 211 H 19.1386 20.2913 10.5392 -0.00350691 -0.00172174 0.00121927 17
5044 212 H 20.5601 19.2512 10.4296 6.06105e-05 0.0164932 0.0123942 17
5045 213 H 18.9438 17.8975 8.71778 -0.0285493 -0.0014454 0.00908618 17
5046 214 H 17.9237 19.2741 8.83933 0.00301217 -0.00154961 0.00300423 17
5047 215 H 19.791 20.7763 7.95997 -0.0108926 -0.00180692 0.00277507 17
5048 216 H 20.7883 19.3283 7.86203 0.00736736 0.0240885 -0.002699 17
5049 217 H 19.143 18.325 6.24283 -0.0117582 -0.00237353 0.0012552 17
5050 218 H 18.1229 19.7154 6.42504 -0.0029696 -0.00539596 0.00423658 17
5051 219 H 20.2264 21.1432 5.65015 -0.00640103 -0.000111301 -0.00336604 17
5052 220 H 20.9591 19.6268 5.27673 -0.00432971 -0.00757836 -0.016428 17
5053 221 H 18.2623 20.4079 3.99713 -0.00786726 -0.00420899 -0.011171 17
5054 222 H 19.8399 20.9201 3.33532 -0.0039138 0.0117033 0.00610776 17
5055 223 H 20.6188 18.6096 3.06923 0.000121953 -0.00407318 -0.0146775 17
5056 224 H 19.0197 18.0542 3.52471 0.00619148 -0.0114394 -0.0167521 17
5057 225 H 17.8872 19.4797 1.74204 -0.00439668 -0.0110079 0.00806705 17
5058 226 H 19.4036 20.1242 1.25414 0.00521603 -0.000978484 0.0127223 17
5059 227 H 19.0146 18.3507 1.03544 0.0105605 -0.00434005 0.00741426 17
5060 228 H 11.0417 18.3824 33.0757 0.000172843 0.0020048 0.00222214 17
5061 229 H 10.5445 16.631 32.8845 -0.0105242 0.00788026 0.00757987 17
5062 230 H 11.5439 16.1146 35.0728 -0.00750076 -0.00102596 0.0209622 17
5063 231 H 11.7586 17.8456 35.3694 0.000590852 -0.00722684 0.00183688 17
5064 232 H 9.34028 18.1556 35.1511 0.00187078 -0.00137018 0.0111417 17
5065 233 H 9.07148 16.4433 34.7938 0.000237315 -0.00524146 -0.000998021 17
5066 234 H 8.50641 16.9771 37.1656 -0.000436432 -0.00918126 -0.00334144 17
5067 235 H 9.89427 15.9346 37.2118 -0.00109935 -0.0020634 0.000206209 17
5068 236 H 11.4418 17.6945 37.7419 -0.00375992 -0.00715771 0.00439311 17
5069 237 H 10.1683 18.926 37.4029 0.0152919 -0.000444119 -0.00237498 17
5070 238 H 10.8366 18.4137 39.8046 0.00562753 -0.0121706 0.012028 17
5071 239 H 9.12579 18.5359 39.4153 0.00317845 0.00394325 -0.00165612 17
5072 240 H 8.82907 16.0147 39.5029 -0.00490049 0.00581183 0.000651743 17
5073 241 H 10.5457 15.9046 39.6774 -0.00536759 -0.00192947 -0.0117535 17
5074 242 H 8.81593 17.2861 41.791 0.00874158 0.0132934 0.00302246 17
5075 243 H 9.29019 15.5652 41.83 0.00108329 0.00088195 0.00437945 17
5076 244 H 11.7634 16.6142 41.7534 -0.0023575 -0.0148732 0.0219644 17
5077 245 H 11.0351 18.1087 42.2768 0.000858118 0.0054828 0.00167553 17
5078 246 H 10.8346 15.4608 43.8053 0.00378082 0.00223279 0.00206307 17
5079 247 H 11.9026 16.8456 44.0668 0.00233324 0.00562313 -0.00333831 17
5080 248 H 10.1279 18.3005 44.5735 0.00856578 -0.00443795 0.00321921 17
5081 249 H 8.90688 17.0361 44.3023 -0.00605978 0.0169735 0.00484134 17
5082 250 H 9.47569 17.3218 46.7752 -0.00230632 0.00808843 -0.0077708 17
5083 251 H 9.83198 15.6983 46.1992 0.0108142 0.00414783 0.010925 17
5084 252 H 11.1064 16.8702 46.4646 -0.00129111 -0.00423659 0.0115829 17
5085 253 H 18.3819 20.4399 33.7251 0.00100059 0.00464373 -0.00170047 17
5086 254 H 16.9931 21.5067 33.361 -0.0118162 0.000468189 0.0114334 17
5087 255 H 15.9672 20.8316 35.5777 -0.000391106 0.00475848 -0.00210859 17
5088 256 H 17.395 19.7987 35.8744 -0.00202721 -0.00522338 -0.00670821 17
5089 257 H 18.79 21.8084 35.8178 -0.000380992 0.0127886 -0.0152099 17
5090 258 H 17.4037 22.8149 35.3882 -0.00195684 -0.00561618 -0.0103938 17
5091 259 H 17.8936 23.0278 37.9185 -0.0016797 -0.00161188 -0.00104846 17
5092 260 H 16.3761 22.314 37.6677 -0.00172005 -0.00974041 0.00767035 17
5093 261 H 17.0957 20.1894 38.3807 -0.00590089 0.00748977 -0.00352858 17
5094 262 H 18.7979 20.4317 37.9311 -0.00588155 -0.00370673 -0.00305908 17
5095 263 H 18.3423 20.2778 40.3613 0.0163273 0.00119255 -0.00314518 17
5096 264 H 19.2548 21.6991 39.8919 0.00212335 -0.00452006 0.0067559 17
5097 265 H 17.0969 23.0748 40.1168 -0.00547866 0.00225315 0.00342835 17
5098 266 H 16.2521 21.6527 40.6791 -0.00437262 0.00343097 0.0113607 17
5099 267 H 18.6324 23.0947 42.0395 -0.00357508 -0.00365646 0.0135198 17
5100 268 H 16.8741 23.0189 42.5249 0.0133657 0.00856254 0.015841 17
5101 269 H 17.1752 20.6201 42.9495 0.00170525 0.00017223 0.000330322 17
5102 270 H 18.8505 20.6509 42.3908 -0.0131568 -0.00324478 -0.0138393 17
5103 271 H 18.8594 20.5042 44.7102 -0.00433709 -0.000362376 0.000152623 17
5104 272 H 19.5628 22.0682 44.2144 0.00513558 -0.00350805 -0.0188324 17
5105 273 H 17.6231 23.3824 44.7222 0.00193093 -0.000127209 0.00652475 17
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5136 2 C 21.3157 27.1916 30.2537 -0.00376644 -0.00203377 -0.00400362 18
5137 3 C 20.7075 26.1499 29.5763 -0.00492869 0.000794996 0.00140153 18
5138 4 C 20.1457 25.0581 30.2839 0.00268236 0.00104868 0.00319183 18
5139 5 C 20.0471 25.0776 31.7087 0.00209147 -0.00430339 -0.00342664 18
5140 6 C 20.5876 26.2057 32.4048 0.00159762 -8.31117e-05 2.1969e-05 18
5141 7 C 15.6159 23.7446 31.0934 -0.00319196 -0.00235417 0.0029063 18
5142 8 C 15.7709 23.65 29.6979 -0.00316231 -0.00453809 -0.00245955 18
5143 9 C 17.0584 23.6297 29.1624 0.000597749 -0.00166838 0.00410713 18
5144 10 C 18.1654 23.6931 30.0321 0.000464196 0.0064082 0.00104024 18
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5146 12 C 16.6767 23.8628 32.0052 0.00269285 0.00133846 -0.00378803 18
5147 13 C 21.2816 20.4672 31.7391 0.00252916 0.00275073 0.00417464 18
5148 14 C 21.4364 20.5255 30.3675 -0.00256443 -0.00114983 0.000239089 18
5149 15 C 20.9274 21.5983 29.6519 -0.00211958 0.00267444 0.00230803 18
5150 16 C 20.3192 22.6275 30.3301 -0.00161937 0.00058579 -0.00366839 18
5151 17 C 19.6253 23.7519 29.6366 0.00389917 -0.00139732 0.000715203 18
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5156 22 C 19.8517 23.727 28.1692 -0.00227928 -0.00306178 -0.00507523 18
5157 23 C 20.3567 23.7502 27.05 -0.00124641 0.00110309 -0.00290898 18
5158 24 C 21.1578 23.8144 25.8888 -0.00203058 0.00150648 0.000402638 18
5159 25 C 21.599 25.0617 25.3541 0.00132073 0.00241473 -0.000247712 18
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5161 27 C 23.0389 23.8353 23.7703 -0.00193835 -0.00638904 0.00117678 18
5162 28 C 22.5885 22.6237 24.2857 0.00248449 -0.00157498 -0.00446543 18
5163 29 C 21.6284 22.6066 25.3095 0.00105711 -0.00332034 0.000377955 18
5164 30 C 23.8182 23.828 22.6 -0.00669856 -0.00111389 -0.000189906 18
5165 31 C 24.323 23.7898 21.4956 0.00418055 -0.00172309 0.00204836 18
5166 32 C 22.6526 20.6989 18.9132 0.00449683 0.00497509 -0.00288474 18
5167 33 C 22.8683 20.7798 17.5193 0.000858901 0.00420886 -0.00101623 18
5168 34 C 23.4808 21.9434 17.0012 -0.00184142 0.00204732 0.00387405 18
5169 35 C 24.016 22.9166 17.834 -0.00166852 -0.000431807 0.00267164 18
5170 36 C 23.8071 22.7882 19.2406 -0.000956523 -0.000164498 -0.00453159 18
5171 37 C 23.0911 21.7008 19.7869 -0.00475883 -0.00053278 0.00230512 18
5172 38 C 24.5945 23.8477 20.0529 -0.00750826 0.00473468 -0.001963 18
5173 39 C 28.523 23.6765 19.7855 -0.00160503 -0.00329213 0.00298904 18
5174 40 C 28.6241 23.7246 18.3876 -7.96674e-05 -0.000591064 0.00326798 18
5175 41 C 27.4941 23.7825 17.5663 -0.00611226 0.00187395 0.00331397 18
5176 42 C 26.2342 23.8252 18.199 0.00129536 0.000667218 -0.00833238 18
5177 43 C 26.0914 23.7694 19.5948 0.00260544 0.000594296 0.00200826 18
5178 44 C 27.2583 23.7159 20.3771 0.00304278 -0.00181175 0.006399 18
5179 45 C 23.0889 27.3978 19.406 0.000659743 -0.00196144 0.000723366 18
5180 46 C 23.3574 27.5214 18.0307 0.00118653 -0.000557061 -0.00457531 18
5181 47 C 24.0498 26.5236 17.3231 -0.00192418 0.00149023 0.00204467 18
5182 48 C 24.364 25.3524 18.042 -0.00275334 0.00148707 0.00183079 18
5183 49 C 24.923 24.0642 17.4255 -0.000121696 -0.00258218 -0.000131903 18
5184 50 C 24.1378 25.1686 19.4225 2.88588e-05 -0.00319344 -0.00780614 18
5185 51 C 23.4793 26.2331 20.079 0.00126433 -0.00404643 -0.00125533 18
5186 52 O 27.5661 23.9259 16.1805 0.00535662 -0.00148564 -0.000348983 18
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5188 54 O 24.3043 26.6242 15.9756 -0.00437448 -0.00519413 -0.00162346 18
5189 55 C 19.3462 23.8147 32.2902 0.00221874 0.0017103 0.00258924 18
5190 56 C 20.1949 22.6352 31.7407 -0.00293146 -0.00196665 0.00143213 18
5191 57 C 27.8045 22.7579 15.4087 0.0015756 -0.00125377 -4.02329e-05 18
5192 58 C 26.7445 22.6862 14.2725 0.00342924 0.00177436 -0.00778978 18
5193 59 C 27.3373 23.142 12.9107 -0.00525336 0.00184512 0.000453276 18
5194 60 C 26.2522 23.1708 11.797 -0.00452689 -0.000760143 -0.00262312 18
5195 61 C 26.914 23.6082 10.4408 -0.000455471 -0.00265116 -0.00120428 18
5196 62 C 26.0251 23.5452 9.18564 -0.00155834 -0.00162836 -0.00188974 18
5197 63 C 26.8918 23.8498 7.94338 -0.00435803 0.00762158 0.00140278 18
5198 64 C 26.1696 23.6869 6.59732 0.00223728 0.00134993 -0.00287559 18
5199 65 C 27.1436 23.7635 5.41325 -0.00263846 0.00517779 0.00103942 18
5200 66 C 26.4603 23.5731 4.03614 -0.000246793 -0.00174026 0.00292718 18
5201 67 C 27.2773 24.0089 2.83387 0.000599647 0.00269426 0.00582152 18
5202 68 C 26.7074 23.3457 1.54287 -0.00106522 0.0024818 0.00304433 18
5203 69 F 22.8348 26.2573 23.816 0.000350384 -0.00414458 -0.0055976 18
5204 70 C 23.1859 21.2806 14.5865 -0.000544637 0.00199233 -0.00125618 18
5205 71 C 23.0684 22.0927 13.294 0.00251775 -0.00243355 0.00370751 18
5206 72 C 22.978 21.2126 12.0424 -0.00314334 0.000383496 0.000539998 18
5207 73 C 22.8373 22.0515 10.7762 0.0039123 0.00452751 0.00298996 18
5208 74 C 22.9711 21.2042 9.51879 -0.00299012 0.000997325 -0.00020496 18
5209 75 C 22.7857 22.1024 8.27945 -0.000558017 -0.00287917 -0.00175814 18
5210 76 C 23.2087 21.3121 7.00483 -0.00288175 -0.00721382 0.00047359 18
5211 77 C 23.0085 22.0821 5.71903 -0.00275997 0.0013306 -0.000798973 18
5212 78 C 23.4146 21.2159 4.47856 0.00199744 -0.00243647 -0.00441327 18
5213 79 C 22.9597 21.9061 3.16183 0.00491742 0.000999608 0.000452851 18
5214 80 C 22.9126 20.9415 1.94321 -0.00171568 0.00297654 -0.000591053 18
5215 81 C 24.2212 20.1421 1.7228 -0.00167143 0.00436953 -0.000659256 18
5216 82 C 25.6353 26.8921 15.5723 0.00260419 0.000380823 0.00391315 18
5217 83 C 25.8104 26.448 14.1088 -0.000984662 -0.000973453 0.000221346 18
5218 84 C 25.8168 27.6325 13.1298 0.00220059 -0.00249738 0.000289179 18
5219 85 C 26.1802 27.3085 11.6635 0.00280798 0.00353901 -0.000846732 18
5220 86 C 25.201 27.9876 10.6718 -0.00122164 0.000565696 -0.00440111 18
5221 87 C 25.4292 27.5443 9.18186 -0.00539041 -0.000773698 -0.00104449 18
5222 88 C 26.5238 28.3325 8.48216 -0.00171672 0.000308865 -0.000406018 18
5223 89 C 26.3089 28.5442 6.92429 -0.00496023 0.00188199 0.00321827 18
5224 90 C 26.0153 27.1968 6.23851 0.00132286 0.00255728 0.000908452 18
5225 91 C 25.6436 27.2152 4.74485 0.00166248 -0.000827775 0.000490497 18
5226 92 C 26.6224 27.9886 3.84467 0.000351791 -0.000374275 8.47369e-05 18
5227 93 C 26.1052 28.0204 2.39217 0.00199793 0.00444681 -0.000962218 18
5228 94 C 15.0326 23.8254 33.8267 -0.000607863 -0.00208848 -0.00346982 18
5229 95 C 14.919 24.0041 35.3492 0.00182164 0.00327222 0.0038791 18
5230 96 C 13.421 23.899 35.8439 -0.00159005 0.00408602 0.00235357 18
5231 97 C 13.3772 23.6582 37.3961 0.00308259 -0.000999282 0.00497517 18
5232 98 C 14.007 24.7925 38.2364 0.00263196 -0.00184088 -0.00143302 18
5233 99 C 14.4927 24.2764 39.6115 0.00105229 -0.000173957 0.00137021 18
5234 100 C 13.2917 24.0849 40.544 0.00249609 -0.00281253 -0.00202488 18
5235 101 C 13.7333 23.7299 41.9841 -0.00178 -0.00330271 -0.00701566 18
5236 102 C 14.3432 24.8346 42.7965 -0.00256568 0.00135416 0.000375742 18
5237 103 C 14.7386 24.4586 44.2368 0.00687529 -2.22618e-05 0.000724336 18
5238 104 C 13.6474 23.6969 45.0358 0.00254241 -0.00227301 0.00452008 18
5239 105 C 14.0797 23.4734 46.5064 0.000429973 -0.000470133 -0.00103212 18
5240 106 C 20.5218 27.7407 34.3251 0.000106117 0.000696552 -0.00192582 18
5241 107 C 20.6964 27.758 35.8469 0.000522686 0.00428746 -0.0024086 18
5242 108 C 21.619 28.9084 36.3346 -0.000648538 0.00111826 0.00105986 18
5243 109 C 21.5426 29.1519 37.8642 -0.00197209 -0.0003383 -0.00270256 18
5244 110 C 21.7127 27.8724 38.7339 -0.00284831 -0.00451126 0.00187 18
5245 111 C 22.2374 28.1294 40.1481 -0.00243784 0.00119587 -0.000477581 18
5246 112 C 21.2605 28.8718 41.0921 -0.00213587 -0.0060805 -0.00143065 18
5247 113 C 21.8616 29.2191 42.4866 0.00110919 0.000453186 -0.000396094 18
5248 114 C 22.144 27.9849 43.3453 0.00127336 -0.00432979 -0.00160869 18
5249 115 C 22.7163 28.2331 44.7666 -0.000904129 0.000644586 -0.00328273 18
5250 116 C 21.7173 28.7548 45.8185 -0.000643614 -0.00295204 0.00079794 18
5251 117 C 22.3646 29.0893 47.1679 -0.00115605 0.00510471 -0.000285665 18
5252 118 C 21.3319 20.3355 34.5892 0.00427988 -1.97244e-05 -0.0012858 18
5253 119 C 20.8983 20.2487 36.0714 0.0022476 0.00180894 0.00026326 18
5254 120 C 21.7615 19.3005 36.9274 -0.000767383 0.00139219 0.000623603 18
5255 121 C 21.392 19.3626 38.4487 -0.000353071 0.00132285 -0.000591005 18
5256 122 C 22.3864 18.5408 39.2523 -0.00257904 0.00152041 -0.00627424 18
5257 123 C 21.9377 18.2118 40.6901 0.000654468 -0.00355451 0.00169349 18
5258 124 C 21.723 19.4314 41.6124 0.00184837 0.000253464 -0.000107618 18
5259 125 C 21.3369 18.9922 43.0505 -0.00224667 0.00342448 0.00233233 18
5260 126 C 21.9659 19.8465 44.1399 0.000997919 -0.000262076 -0.000286755 18
5261 127 C 21.7799 19.1923 45.5445 -0.00761426 0.000108395 0.00187805 18
5262 128 C 22.7431 19.827 46.5753 0.00152991 0.00148451 4.05218e-05 18
5263 129 C 22.5097 19.2452 47.9873 -0.000301148 0.00149653 -0.00017196 18
5264 130 F 21.2161 26.2295 25.9126 -0.000535291 0.00035975 0.000916609 18
5265 131 H 21.8165 28.0259 32.1051 0.0124019 -0.00873246 0.000166012 18
5266 132 H 21.816 28.0044 29.7356 -0.00650924 -0.00238177 -0.00718646 18
5267 133 H 20.7538 26.1861 28.4919 -0.00431784 0.00240015 0.00147959 18
5268 134 H 14.5675 23.6879 31.3708 -0.00320037 0.00267644 0.00387842 18
5269 135 H 14.9058 23.588 29.0444 -0.00307065 0.00253605 -0.00325321 18
5270 136 H 17.1377 23.5871 28.0801 0.00534266 -0.00399137 0.00455608 18
5271 137 H 21.7026 19.5999 32.2391 -0.00881444 -0.00156207 0.00623218 18
5272 138 H 21.8659 19.737 29.7568 -1.94316e-05 -0.00320607 0.00471173 18
5273 139 H 20.9873 21.5497 28.5686 0.00673376 0.000760135 0.00288398 18
5274 140 H 22.9444 21.6909 23.8586 -0.00459978 -0.010879 0.00995596 18
5275 141 H 21.3178 21.6737 25.7705 -0.00851709 -0.000192027 0.000265913 18
5276 142 H 22.1999 19.8284 19.3785 -0.0102248 0.00394139 -0.0192369 18
5277 143 H 22.4326 20.035 16.8599 0.00534404 0.0119175 -0.0126922 18
5278 144 H 22.8881 21.6344 20.8517 0.00207307 0.010927 0.00432936 18
5279 145 H 29.4194 23.7084 20.3978 -0.00441696 0.0041785 0.00672828 18
5280 146 H 29.5986 23.7738 17.9108 0.000647652 0.00745371 0.00558692 18
5281 147 H 27.1255 23.6484 21.4528 0.013731 -0.00163606 0.00770671 18
5282 148 H 22.5715 28.1998 19.9241 0.00810096 0.00141654 0.00292272 18
5283 149 H 23.0408 28.4139 17.4992 0.00453235 -0.00425145 -0.0127681 18
5284 150 H 25.0395 24.0974 16.3352 -0.0189381 -0.00154165 -0.00211381 18
5285 151 H 23.2634 26.2202 21.1432 -0.00713708 -0.00373358 -0.00295361 18
5286 152 H 19.2168 23.8244 33.3795 -0.00429581 0.00426889 0.00179503 18
5287 153 H 28.8255 22.7824 15.0083 0.00392289 0.00948952 0.00659982 18
5288 154 H 27.7328 21.8407 16.0063 0.00210753 0.000317285 0.00242614 18
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5292 158 H 27.7407 24.159 12.9908 -0.00107152 0.000279935 -0.000645299 18
5293 159 H 25.4851 23.9099 12.0587 -0.00370851 -0.00227047 0.0040334 18
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5295 161 H 27.7619 22.9424 10.2382 0.00669436 0.00279642 0.0109386 18
5296 162 H 27.2558 24.6435 10.5624 -0.0090949 -0.000281753 0.0030843 18
5297 163 H 25.1431 24.1961 9.22802 0.00791165 0.010558 0.00796264 18
5298 164 H 25.7506 22.4831 9.18487 -0.00987599 0.000501665 0.0151512 18
5299 165 H 27.7518 23.1736 8.02353 0.00103743 0.0139135 -0.00372638 18
5300 166 H 27.1959 24.8984 8.05048 0.0171241 0.000743569 0.00732419 18
5301 167 H 25.3481 24.4058 6.48976 -0.00113244 -0.00207599 -6.89535e-05 18
5302 168 H 25.7081 22.6917 6.60313 0.000458191 0.00217912 -0.00216355 18
5303 169 H 27.9343 23.0149 5.54709 -0.00289863 0.00719247 0.0138611 18
5304 170 H 27.6386 24.7423 5.4333 -0.00615238 0.00696363 0.000607525 18
5305 171 H 25.4855 24.0761 4.03953 0.000950676 0.000535946 0.0113663 18
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5308 174 H 27.2658 25.1007 2.72791 0.00479724 0.00192572 -0.00258879 18
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5312 178 H 23.9841 20.5307 14.5233 0.00820333 0.0101521 0.0123984 18
5313 179 H 22.224 20.7761 14.74 0.00599126 -0.00724776 0.00923729 18
5314 180 H 22.1943 22.755 13.3209 -0.000951608 -0.00715015 0.00666271 18
5315 181 H 23.9104 22.7942 13.2456 0.00220016 -0.0026303 -0.00453587 18
5316 182 H 23.915 20.6522 11.9358 0.00161686 0.00733079 0.00585906 18
5317 183 H 22.1799 20.4725 12.1795 -0.00112677 -0.000371453 0.00830554 18
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5319 185 H 23.6498 22.7885 10.7727 0.000760003 0.0079927 0.00222783 18
5320 186 H 23.9721 20.7626 9.43876 -0.00308735 3.80262e-05 0.00398403 18
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5322 188 H 21.7228 22.3718 8.2462 0.00209495 0.00715559 -0.00491344 18
5323 189 H 23.3776 23.0257 8.30373 0.0126354 -0.0115622 0.00624174 18
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5325 191 H 22.6454 20.3715 6.96694 -0.00126165 -0.00828893 0.00296284 18
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5327 193 H 23.6171 22.9948 5.72294 -0.00349809 0.00181177 0.00136719 18
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5330 196 H 21.9706 22.3477 3.3355 -0.00250984 -0.0159302 0.00122005 18
5331 197 H 23.662 22.7128 2.91787 -0.0044729 0.01186 0.00941142 18
5332 198 H 22.0858 20.2289 2.05276 0.000640366 -0.000647556 -0.00636633 18
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5350 216 H 27.4872 27.8227 8.60612 0.00255415 0.0120772 0.0145441 18
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5360 226 H 26.1054 27.0257 1.92962 0.00221553 0.00442173 -0.000908504 18
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5379 245 H 13.6527 25.6793 42.9107 0.00166975 0.00463807 0.00181095 18
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5386 252 H 14.8582 22.7044 46.5836 0.0082431 0.00847162 0.00895514 18
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5395 261 H 20.7446 27.3571 38.7582 -0.00419622 -0.00182203 0.00516005 18
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5399 265 H 20.864 29.7904 40.6422 -0.00491619 -0.00509583 0.00301752 18
5400 266 H 20.4198 28.1795 41.2242 0.00057358 -0.00914384 -0.000190348 18
5401 267 H 22.8151 29.729 42.3018 0.00278321 7.88865e-05 0.00725793 18
5402 268 H 21.1253 29.8676 42.9772 -0.00359492 -0.00538303 0.000284974 18
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5407 273 H 21.2592 29.6537 45.3878 0.00209295 0.00371704 0.0118261 18
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5409 275 H 22.7038 28.1499 47.6217 -0.0070283 0.00526744 0.00446062 18
5410 276 H 23.2101 29.7715 47.016 0.00416869 0.00373891 0.0234356 18
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5413 279 H 22.4025 20.553 34.4893 0.00757844 -0.00469297 0.0241475 18
5414 280 H 19.8698 19.8702 36.1201 0.0053968 -0.00630953 0.0038208 18
5415 281 H 20.8557 21.2394 36.5406 -0.00462218 0.00181856 -0.000375412 18
5416 282 H 22.8261 19.553 36.8482 0.00374244 -0.0106364 0.0223628 18
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5419 285 H 21.4189 20.3922 38.8262 -0.000617684 0.000268969 0.00229868 18
5420 286 H 23.3804 18.9996 39.3216 -0.00628061 0.00767359 0.00602668 18
5421 287 H 22.5727 17.6103 38.7019 0.0102631 0.000781112 -0.000702616 18
5422 288 H 22.7103 17.5674 41.1273 -0.00126668 0.00128334 0.0122097 18
5423 289 H 21.041 17.5802 40.6711 -0.00273695 0.00122433 0.0029536 18
5424 290 H 20.9656 20.0843 41.1613 0.00185178 0.000671496 0.000493787 18
5425 291 H 22.6489 20.0172 41.6673 0.006039 -0.00521798 -0.0126826 18
5426 292 H 21.6273 17.9469 43.2132 0.0112742 0.00615523 -0.00427932 18
5427 293 H 20.2461 19.0218 43.1633 -0.00175181 0.00690529 0.00619415 18
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5429 295 H 23.0236 20.0188 43.9055 0.000517938 -0.0068826 -0.00726486 18
5430 296 H 22.0359 18.1276 45.4788 0.00683976 0.00354012 0.00255921 18
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5432 298 H 22.4548 20.8853 46.5584 -0.00935555 -0.00145135 0.0011993 18
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5438 2 C 25.1818 20.5573 29.3829 0.000788585 -0.000275503 0.00245307 19
5439 3 C 24.6829 19.4306 28.7663 -0.00547013 -0.00248931 0.00211164 19
5440 4 C 24.083 18.3816 29.4957 -0.00593833 0.00338903 0.000678835 19
5441 5 C 23.9801 18.45 30.8999 0.000891199 -0.000398538 -0.00118359 19
5442 6 C 24.4954 19.6088 31.5644 -0.00410036 0.00516478 -0.00222203 19
5443 7 C 19.5594 16.9337 30.5773 -0.000486063 -0.000166599 0.00342753 19
5444 8 C 19.6699 16.9065 29.1709 -0.000506567 0.0022707 -0.0012237 19
5445 9 C 20.9207 16.9781 28.5144 -0.00505789 -0.00310036 0.00211691 19
5446 10 C 22.0567 17.0402 29.3375 -0.00446741 0.0012467 0.00297049 19
5447 11 C 21.9378 17.1316 30.747 0.00171879 -0.00147444 -0.00374393 19
5448 12 C 20.6795 17.1248 31.3842 -0.00107412 -0.00104039 -0.00242871 19
5449 13 C 25.0777 13.7422 30.9991 -0.00307499 -0.00271634 0.0045648 19
5450 14 C 25.1572 13.7115 29.6201 0.00401629 0.000814859 -0.000834109 19
5451 15 C 24.6347 14.7932 28.8965 -0.00136309 0.00239001 0.000857964 19
5452 16 C 24.09 15.9051 29.5646 0.00396621 -0.00139811 0.00118824 19
5453 17 C 23.4754 17.1339 28.839 0.00456291 -0.00387731 0.000370873 19
5454 18 O 24.4639 14.7206 33.0549 -0.00101134 0.00100577 -0.0025257 19
5455 19 O 20.5422 17.1963 32.7548 0.000417899 -0.000635501 -0.00208168 19
5456 20 O 24.4957 19.762 32.934 0.0012964 0.0025808 -0.00394611 19
5457 21 C 24.5274 14.8191 31.7022 -0.00351638 -0.00175838 0.000803008 19
5458 22 C 23.6815 17.1596 27.3644 0.00205651 -0.000138762 -0.000391338 19
5459 23 C 24.1252 17.1809 26.242 0.000633121 -0.000990822 0.00417643 19
5460 24 C 24.8865 17.2216 25.048 0.00359375 0.0011321 -0.000247788 19
5461 25 C 25.4501 18.4398 24.6172 0.00222448 -0.00172333 -0.0015346 19
5462 26 C 26.3961 18.4561 23.5785 -0.000764257 0.000523109 -0.00268872 19
5463 27 C 26.8205 17.2288 22.9594 -0.000984655 -0.000211158 0.000490613 19
5464 28 C 26.2857 16.0321 23.4499 -0.00143413 0.00175721 -0.000840573 19
5465 29 C 25.3374 16.0207 24.4881 -0.000118727 3.64896e-05 0.00193894 19
5466 30 C 27.694 17.198 21.8381 0.00486375 0.00131131 2.16315e-05 19
5467 31 C 28.2137 17.1572 20.7447 6.0063e-06 0.00398778 0.0004443 19
5468 32 C 27.7901 13.43 18.6845 0.000552795 -0.0056729 0.000265929 19
5469 33 C 28.1163 13.3675 17.3333 0.00395738 -0.00112752 0.00146019 19
5470 34 C 28.327 14.5481 16.6062 0.00720521 0.00266496 -0.00169402 19
5471 35 C 28.2897 15.8191 17.2457 -0.000837152 -0.00122086 0.00181722 19
5472 36 C 28.1362 15.8333 18.6369 0.000777236 0.0039695 -0.00483715 19
5473 37 C 27.8437 14.6671 19.3523 0.000524926 0.00133001 1.96241e-06 19
5474 38 C 28.4804 17.1576 19.2954 -0.00192336 -0.0010258 0.00145529 19
5475 39 C 32.3535 17.4511 18.884 -0.00070117 0.00329705 -0.000388763 19
5476 40 C 32.4342 17.4404 17.4983 0.0037128 0.000141494 0.000332196 19
5477 41 C 31.2491 17.4806 16.7343 0.00159626 -0.000918027 -0.00187099 19
5478 42 C 30.0241 17.3928 17.3535 -0.00144077 0.000588406 -0.000155941 19
5479 43 C 29.9325 17.3671 18.7853 -0.00424922 0.00392199 0.00263978 19
5480 44 C 31.0939 17.4255 19.5591 -0.00129719 0.00424881 0.000447328 19
5481 45 C 26.2902 20.2285 18.4777 -0.000296122 -0.00293596 -0.000167776 19
5482 46 C 26.3831 20.2078 17.0947 0.00434331 0.00149356 -0.00302396 19
5483 47 C 27.1478 19.2463 16.3793 -0.00053162 -0.00230445 -0.00274392 19
5484 48 C 27.7716 18.2399 17.1466 0.00269145 -0.00137962 0.00139757 19
5485 49 C 28.7283 17.1718 16.6285 -0.00169169 -0.0029506 0.00569148 19
5486 50 C 27.6701 18.2752 18.5699 -0.00131152 0.000377197 -0.00261866 19
5487 51 C 26.9241 19.3 19.2194 0.00260883 -0.00249047 0.00244986 19
5488 52 O 31.2429 17.5734 15.3614 0.00204928 -0.0020674 -0.00217741 19
5489 53 O 28.7742 14.4126 15.2964 -0.00105474 0.00041497 -0.00047753 19
5490 54 O 27.216 19.4143 14.9942 0.00264451 0.000854926 -0.00201848 19
5491 55 C 23.2896 17.1946 31.4841 -0.00189104 -0.00110765 -0.00120703 19
5492 56 C 24.0309 15.9185 30.9793 0.000252138 0.000344247 -0.00148413 19
5493 57 C 31.3436 16.4753 14.4638 -0.00119577 -0.000934075 -0.00154422 19
5494 58 C 30.647 16.9775 13.1282 0.00306957 -0.000770564 0.00337577 19
5495 59 C 31.1277 16.3601 11.8109 -0.000309417 -0.000834015 0.00493617 19
5496 60 C 30.2918 16.9658 10.6299 -0.00322614 0.00327225 -0.00311318 19
5497 61 C 30.8433 16.5267 9.25378 0.00231661 0.00148723 -0.00371705 19
5498 62 C 29.9675 17.0891 8.14864 -0.00102783 -0.00116165 -0.00290212 19
5499 63 C 30.2899 16.5023 6.75949 0.0015308 -0.00454707 -0.00412039 19
5500 64 C 31.5928 17.0221 6.11432 0.00327647 -0.00258776 0.00656892 19
5501 65 C 31.9111 16.3624 4.75944 0.00056617 -0.000449716 -0.00141203 19
5502 66 C 30.9739 16.7825 3.59911 -0.00170096 -0.00359532 0.00257723 19
5503 67 C 31.5301 16.3139 2.22331 -0.00488058 0.000562225 -0.0011114 19
5504 68 C 30.492 16.3583 1.07852 0.00135972 -0.00317023 0.00188423 19
5505 69 F 26.9405 19.6192 23.1744 -0.00432253 -0.00101997 0.00197698 19
5506 70 C 29.0395 13.1598 14.6349 -0.000688856 -0.00228506 -0.00331569 19
5507 71 C 29.5852 13.4597 13.2777 0.000509396 -0.00180565 0.00618698 19
5508 72 C 29.5905 12.2757 12.2676 -0.00489871 0.000754176 -0.00542387 19
5509 73 C 29.6448 12.7899 10.7762 0.00431303 -0.00304215 0.000722174 19
5510 74 C 30.1229 11.7089 9.78192 0.00130589 0.000232046 -0.00110979 19
5511 75 C 30.2107 12.3122 8.36623 0.000779744 0.000134809 -0.00267242 19
5512 76 C 30.5805 11.215 7.35047 0.00204031 -0.0051581 0.000193234 19
5513 77 C 30.9114 11.6707 5.9099 0.000197485 -0.00245027 0.00491635 19
5514 78 C 29.7035 12.177 5.11107 -0.00130783 -0.00428659 -0.00206586 19
5515 79 C 29.8074 11.845 3.57771 0.00300569 -0.0016713 -0.00135154 19
5516 80 C 30.6722 12.8926 2.87251 -0.00348114 -0.00132764 -0.00110127 19
5517 81 C 30.7376 12.7495 1.34629 -0.000578302 -0.00504573 -0.000546625 19
5518 82 C 27.5665 18.5728 13.8842 0.00166035 0.00375059 0.00242451 19
5519 83 C 26.9847 19.2951 12.6666 0.00286584 -7.81353e-05 0.00180367 19
5520 84 C 27.143 18.6005 11.3053 -0.00289801 0.00260931 0.00122265 19
5521 85 C 26.1845 19.2719 10.2625 0.000335022 -0.00207757 0.000577198 19
5522 86 C 26.4406 18.9 8.79473 -0.00347117 -0.0019908 0.00235274 19
5523 87 C 27.3879 19.9209 8.13487 -0.000884964 -0.000901656 0.00363294 19
5524 88 C 27.8342 19.6166 6.68576 -0.00204771 -0.000333543 0.00207144 19
5525 89 C 26.7194 19.8162 5.68125 -0.00018989 0.00557387 -0.00145663 19
5526 90 C 27.3116 20.0366 4.25225 -0.00262784 0.00361063 7.51427e-05 19
5527 91 C 28.152 18.8738 3.66333 -0.00187377 -0.00256831 0.00215671 19
5528 92 C 27.4186 18.0172 2.63225 -0.000850536 0.00222362 0.00296565 19
5529 93 C 27.3304 18.6581 1.24075 -0.000543981 -0.0010728 0.00245737 19
5530 94 C 19.2632 17.0042 33.3761 -0.00453874 0.0022408 0.000307029 19
5531 95 C 19.2315 17.4779 34.8704 -0.000891277 0.000357484 -0.00370613 19
5532 96 C 17.8782 17.1514 35.5119 0.00107173 0.00643467 0.0027741 19
5533 97 C 17.8052 17.3372 37.0895 0.000483775 -0.000450368 0.0026805 19
5534 98 C 18.6336 16.3335 37.9332 -0.000551673 0.0012025 0.00470782 19
5535 99 C 18.2486 16.1873 39.4345 0.00343094 -0.00304241 0.00229188 19
5536 100 C 17.9586 17.5045 40.1712 -0.000270023 0.00232606 -0.000100879 19
5537 101 C 18.3361 17.5675 41.6517 -0.00145564 -0.00282644 0.00346243 19
5538 102 C 17.5164 16.823 42.6844 0.00153517 0.00269111 -0.00254074 19
5539 103 C 17.9057 17.3655 44.114 -0.000603132 -0.000730563 0.00353773 19
5540 104 C 17.076 16.7782 45.284 0.000279407 -0.00213742 0.00580234 19
5541 105 C 17.398 17.5405 46.5915 0.000885427 0.000930714 -0.00551493 19
5542 106 C 25.3585 20.7404 33.5709 -3.85858e-05 -0.00243314 0.00238313 19
5543 107 C 25.2698 20.7296 35.1265 0.00540058 0.00350253 5.17547e-06 19
5544 108 C 25.7835 22.0284 35.7758 -1.13845e-05 0.0020635 2.98841e-05 19
5545 109 C 25.9251 21.9186 37.3345 -0.00385475 -0.000197616 -0.00337504 19
5546 110 C 24.6199 21.4458 38.0155 0.00154653 0.000932354 -0.00094772 19
5547 111 C 24.4364 22.0056 39.4402 0.00656665 -0.000796197 -0.000617654 19
5548 112 C 25.4752 21.6471 40.4921 -0.00313012 -0.00194354 -0.00388744 19
5549 113 C 24.9114 22.1098 41.8299 -0.000472794 0.00105087 0.00447902 19
5550 114 C 25.768 21.7258 43.0419 -0.000990519 0.000117443 -0.00226013 19
5551 115 C 25.0897 22.124 44.3354 0.00281776 -0.00255211 0.00197603 19
5552 116 C 25.9104 21.7259 45.6004 -0.000959081 -0.00280242 0.00206435 19
5553 117 C 25.1861 22.1634 46.8672 0.00272775 0.00129001 -0.00189473 19
5554 118 C 24.9652 13.5671 33.8058 -0.00213386 0.00433369 0.000418186 19
5555 119 C 25.2135 13.9889 35.235 -7.78036e-05 -0.00357462 0.000845619 19
5556 120 C 25.4516 12.8196 36.2467 0.0017485 0.00214825 -0.00237758 19
5557 121 C 25.773 13.3492 37.6588 0.00408348 0.000277522 -0.00308121 19
5558 122 C 25.8863 12.2776 38.7494 0.00240774 0.00168301 0.00146547 19
5559 123 C 26.205 12.9446 40.1253 0.0017433 0.00124559 -0.00367458 19
5560 124 C 25.5801 12.1795 41.3126 0.00262422 0.000662258 0.00217615 19
5561 125 C 25.934 12.9078 42.5943 0.00278492 0.00351949 -0.00295349 19
5562 126 C 25.1652 12.376 43.8318 -0.00396298 -0.0055994 0.00448104 19
5563 127 C 25.8686 12.7889 45.1473 -8.93778e-05 -0.00230549 0.0013898 19
5564 128 C 25.1063 12.2577 46.4321 -0.00194136 0.00276706 -0.000617153 19
5565 129 C 25.9068 12.2678 47.7179 0.000908979 -0.00332861 -0.0036128 19
5566 130 F 25.1092 19.5669 25.2647 -0.00187728 -0.00167586 -0.0036293 19
5567 131 H 25.4848 21.5695 31.1657 -0.00992559 0.00688756 -0.0131379 19
5568 132 H 25.6521 21.3684 28.8348 -0.00144634 -0.00473467 -0.00603134 19
5569 133 H 24.7002 19.3748 27.6818 0.00281126 0.00267971 0.0020014 19
5570 134 H 18.5601 16.7738 30.9715 -0.002414 -0.00649411 -0.00397646 19
5571 135 H 18.794 16.7822 28.541 -0.01106 0.00720246 0.0125198 19
5572 136 H 20.9651 16.9868 27.4293 0.00337308 0.0141958 0.00259773 19
5573 137 H 25.5513 12.922 31.5304 0.00802412 0.000372451 -0.000533368 19
5574 138 H 25.5291 12.8396 29.09 -0.00395348 -0.0122556 0.0150637 19
5575 139 H 24.6765 14.7308 27.8131 -0.0114907 -0.0155197 0.00148877 19
5576 140 H 26.6175 15.107 22.9879 -0.00934288 8.04835e-05 -0.00315082 19
5577 141 H 24.8873 15.1086 24.8685 -0.00618359 0.000825163 -0.00332308 19
5578 142 H 27.6145 12.5039 19.2238 0.00309721 0.000804066 0.0121839 19
5579 143 H 28.2877 12.4056 16.8593 0.0134447 -0.00277878 0.00823366 19
5580 144 H 27.7714 14.6175 20.4348 0.00130152 0.00283032 0.000119758 19
5581 145 H 33.2562 17.3988 19.4854 0.0104002 -0.0187223 -0.0189637 19
5582 146 H 33.4046 17.4167 17.0114 0.00758125 -0.00824821 0.00846587 19
5583 147 H 31.0549 17.4938 20.6422 -0.0110109 0.00044406 0.000324817 19
5584 148 H 25.5948 20.9473 18.901 -0.00314877 0.000271175 -0.0102049 19
5585 149 H 25.8681 20.979 16.5295 -0.00255764 -0.00295295 -0.00279319 19
5586 150 H 28.8678 17.141 15.5409 -0.00817978 0.00727545 0.00457635 19
5587 151 H 26.8243 19.3769 20.298 0.00676539 0.00918473 0.00200899 19
5588 152 H 23.1951 17.2334 32.5763 0.0139147 -0.00655046 0.000355929 19
5589 153 H 32.393 16.2341 14.254 0.00467021 0.00555618 0.0204917 19
5590 154 H 30.8906 15.548 14.8358 -0.00792795 0.00346176 0.00117464 19
5591 155 H 30.678 18.0739 13.1089 0.00256773 -0.00101223 -0.0100592 19
5592 156 H 29.5698 16.7701 13.1333 0.0018261 0.00544142 -0.0025722 19
5593 157 H 30.9352 15.2823 11.8794 0.00481864 -0.00219168 -0.00218587 19
5594 158 H 32.201 16.5396 11.6718 -0.00200911 0.0104094 0.006264 19
5595 159 H 30.3438 18.0606 10.6767 0.000922686 0.00279398 0.0035791 19
5596 160 H 29.2553 16.6674 10.8299 -0.00141869 0.0069447 0.011982 19
5597 161 H 30.8174 15.4315 9.19623 -0.0106571 0.000936773 0.0123854 19
5598 162 H 31.8795 16.8752 9.16299 0.00059825 0.00524589 -0.00885726 19
5599 163 H 30.0081 18.1843 8.10126 -0.00319107 -0.00129026 -0.0078423 19
5600 164 H 28.9285 16.8322 8.38915 0.000563065 0.00785301 0.0135995 19
5601 165 H 29.493 16.7742 6.05633 0.00778943 0.00331355 -0.00816941 19
5602 166 H 30.2795 15.4053 6.75739 -0.00406355 -0.00449674 -0.00656736 19
5603 167 H 32.4302 16.8129 6.79148 0.00113777 -0.00927705 0.00715916 19
5604 168 H 31.4913 18.1037 5.96247 -0.00338123 -0.00236955 0.0125324 19
5605 169 H 31.8975 15.2682 4.83629 -0.00869164 -0.000100873 0.00184286 19
5606 170 H 32.9372 16.651 4.50046 0.00278033 -0.00687566 0.00018583 19
5607 171 H 30.8631 17.8726 3.65274 -0.00460101 -0.00466055 0.0185598 19
5608 172 H 29.9947 16.3142 3.75827 -0.00612163 0.00156678 -0.00945232 19
5609 173 H 31.7811 15.2561 2.36994 -0.00406914 0.00179736 0.00645252 19
5610 174 H 32.4714 16.785 1.91448 0.00521321 -0.018507 0.000453983 19
5611 175 H 31.0517 15.9577 0.22435 0.00868141 -0.00204988 0.00612021 19
5612 176 H 30.2103 17.4104 0.946881 -0.00943441 -0.00589338 0.00321397 19
5613 177 H 29.579 15.7998 1.31914 -0.00593871 0.00563773 -0.0053275 19
5614 178 H 29.7532 12.5416 15.1933 0.000334512 -0.000373395 -0.00250735 19
5615 179 H 28.0974 12.6025 14.5619 0.000528868 -0.00588043 0.00837908 19
5616 180 H 29.0519 14.3346 12.8858 0.0127165 0.000292901 -0.00571254 19
5617 181 H 30.6348 13.7237 13.4563 0.00293409 -0.00571364 -0.0022563 19
5618 182 H 30.4079 11.5779 12.4874 -0.0146775 -0.0105739 -0.00500388 19
5619 183 H 28.6814 11.6871 12.4422 0.00208534 -0.00795623 0.001636 19
5620 184 H 28.6558 13.1325 10.4478 0.0047081 -0.00222858 0.000378334 19
5621 185 H 30.2721 13.6838 10.6714 0.00903343 -0.00627913 0.00138861 19
5622 186 H 31.0753 11.2302 10.041 0.00675783 0.0112009 -0.00094006 19
5623 187 H 29.3819 10.9 9.77852 -0.00737948 0.00817972 0.00174664 19
5624 188 H 29.2419 12.7379 8.07716 -0.00405184 -0.00705525 0.0029169 19
5625 189 H 30.96 13.1134 8.38079 -0.00111403 0.00203084 -0.0100067 19
5626 190 H 31.4381 10.6772 7.77329 0.00381605 0.00543133 0.010059 19
5627 191 H 29.8061 10.438 7.34435 -0.000821313 -0.00241682 0.0133852 19
5628 192 H 31.6867 12.4465 5.93071 -0.00782086 0.0060349 -0.0125673 19
5629 193 H 31.3568 10.8155 5.38671 0.000629706 0.0013101 -0.000865582 19
5630 194 H 28.8458 11.6474 5.54384 0.00374885 -0.0130017 -0.00266333 19
5631 195 H 29.5722 13.2589 5.23586 0.00237479 -0.0039472 -0.00113453 19
5632 196 H 30.218 10.8368 3.44195 -0.00353842 -0.00416743 -0.00268079 19
5633 197 H 28.8273 11.7315 3.09804 0.00681167 0.00976472 -0.0117763 19
5634 198 H 30.3005 13.9047 3.07435 0.00685763 0.00473211 -0.0123132 19
5635 199 H 31.6886 12.8246 3.27971 -0.00478211 0.0127633 0.00447188 19
5636 200 H 31.4653 13.4494 0.917291 -0.000662237 -0.00881798 -0.00683909 19
5637 201 H 30.9588 11.7256 1.02051 0.0120206 -0.000207541 -0.00716683 19
5638 202 H 29.7565 13.0059 0.927669 0.00212567 0.0109597 0.00292636 19
5639 203 H 28.6612 18.5127 13.8484 0.000628413 -0.00879359 -0.00791901 19
5640 204 H 27.1501 17.5642 13.9977 -0.00414023 0.00594577 0.000624781 19
5641 205 H 25.9494 19.6197 12.8287 0.00544861 0.010445 -0.00254572 19
5642 206 H 27.4584 20.2843 12.6438 0.00914504 -0.00326185 -0.00482673 19
5643 207 H 28.1715 18.6967 10.9358 -0.00161212 0.000399977 0.00423929 19
5644 208 H 26.8892 17.5411 11.4347 -0.00105242 0.00342563 0.0115862 19
5645 209 H 25.149 19.0277 10.5301 0.00208071 -0.00282543 0.00665844 19
5646 210 H 26.2388 20.3612 10.3797 -0.00113608 -0.0010974 -0.00790108 19
5647 211 H 26.9519 17.9295 8.80903 0.0120163 0.00590791 -0.0156354 19
5648 212 H 25.4828 18.8839 8.26024 0.00011892 -0.00438583 -0.00399214 19
5649 213 H 26.9186 20.9116 8.1754 -0.00412783 -0.00218551 -0.00251851 19
5650 214 H 28.3221 19.9702 8.70785 0.0041553 -0.00541648 -0.00417425 19
5651 215 H 28.6976 20.2153 6.37017 0.00179296 -0.00868795 -0.00333773 19
5652 216 H 28.1682 18.5736 6.62191 0.0100366 0.00329067 0.00610224 19
5653 217 H 26.0151 18.9771 5.62349 0.0095375 -0.00357036 0.0137225 19
5654 218 H 26.092 20.6759 5.94701 -0.00405493 0.00391426 -0.00517611 19
5655 219 H 26.4861 20.2494 3.56181 -0.00728178 -0.0110889 0.00110681 19
5656 220 H 27.9183 20.9505 4.24927 -0.00063387 0.00227139 -0.00465374 19
5657 221 H 29.0474 19.2866 3.18228 0.00121729 -0.0129177 -0.000989321 19
5658 222 H 28.5796 18.251 4.45876 -0.00572408 -0.00919071 -0.000971922 19
5659 223 H 27.9495 17.0702 2.47508 0.00642257 0.00954159 -0.0166871 19
5660 224 H 26.4162 17.7447 2.98505 -0.00385076 -0.00618124 -0.0119944 19
5661 225 H 26.4666 18.2334 0.714434 -0.00584512 0.0108572 0.00151696 19
5662 226 H 27.1689 19.7384 1.3425 -0.0023364 -0.00090888 -0.0021792 19
5663 227 H 28.271 18.4204 0.728891 -0.000451273 -0.00918606 0.00635213 19
5664 228 H 18.5627 17.6735 32.8616 -0.00353633 -0.00166886 -0.00613287 19
5665 229 H 18.9261 15.9662 33.2649 -0.00104752 0.00180911 -0.00623021 19
5666 230 H 20.0463 16.996 35.4247 0.00311667 0.0102015 -0.0010862 19
5667 231 H 19.2942 18.5686 34.7721 0.0209671 0.000142468 0.00835219 19
5668 232 H 17.1145 17.7483 34.9982 0.000440055 -0.00729645 -0.0122218 19
5669 233 H 17.6722 16.0894 35.3298 0.0188795 0.00270644 0.00431297 19
5670 234 H 18.1717 18.3395 37.3433 0.00826474 -0.00170194 -0.00360732 19
5671 235 H 16.7488 17.3276 37.3851 -0.00330842 -0.00531163 -0.0110156 19
5672 236 H 18.455 15.3171 37.5611 -0.0187524 0.00667711 -0.0015124 19
5673 237 H 19.7049 16.5524 37.845 -0.0034965 0.0131366 -0.00136002 19
5674 238 H 17.3477 15.5729 39.5549 0.0128746 -0.0158107 0.00760004 19
5675 239 H 19.094 15.6848 39.9206 -0.00243217 0.00186337 0.0175448 19
5676 240 H 18.5694 18.2435 39.6382 -0.00868575 0.00392844 -0.00753347 19
5677 241 H 16.9089 17.7932 40.0357 -0.00431151 -0.0178174 -0.0116847 19
5678 242 H 19.3732 17.2222 41.7448 -0.00152912 -0.00669081 -0.00989364 19
5679 243 H 18.4065 18.6447 41.8471 0.00627154 -0.00356426 0.00481362 19
5680 244 H 16.4509 17.0235 42.5171 -0.0020182 -0.00284962 0.0134042 19
5681 245 H 17.6826 15.7435 42.582 0.00346141 0.00331858 -0.00604027 19
5682 246 H 18.9652 17.2655 44.38 0.0025021 0.00633847 -0.00622516 19
5683 247 H 17.7338 18.4489 44.1113 0.0048628 9.68321e-05 -0.0106349 19
5684 248 H 16.0302 16.8964 44.9746 0.00379798 0.00307811 -0.00420344 19
5685 249 H 17.3366 15.7243 45.4417 0.00172162 -0.0044518 -0.0121202 19
5686 250 H 18.4195 17.3699 46.9533 0.00198817 0.0101997 -0.00424042 19
5687 251 H 17.3023 18.6105 46.369 -0.00733899 0.00492618 0.0174775 19
5688 252 H 16.7074 17.249 47.3924 0.00516153 0.00763501 0.000610448 19
5689 253 H 26.4039 20.5445 33.3026 -0.0042266 -0.00758791 -0.0101147 19
5690 254 H 25.1516 21.7566 33.2131 0.00620478 0.000374938 0.00672512 19
5691 255 H 24.2532 20.4747 35.4505 0.00500126 0.0117125 0.00517124 19
5692 256 H 25.907 19.9178 35.4984 0.0136728 0.0111281 0.00244271 19
5693 257 H 26.7568 22.3665 35.3993 0.00151284 -0.000746554 0.00144537 19
5694 258 H 25.079 22.8446 35.5735 -0.0111161 -0.00826995 -0.00295831 19
5695 259 H 26.7619 21.2509 37.574 0.00584904 0.0177113 0.012569 19
5696 260 H 26.2064 22.9122 37.7047 -0.000808467 -0.00259752 0.000739089 19
5697 261 H 23.7527 21.7871 37.4369 -0.00497472 -0.0153509 -0.000784203 19
5698 262 H 24.5648 20.3522 37.9495 -0.00627005 0.000998303 0.00459161 19
5699 263 H 24.3706 23.0983 39.3687 -0.0125361 -0.00168664 0.00334792 19
5700 264 H 23.4724 21.6224 39.7971 0.00610212 -0.0108139 -0.012627 19
5701 265 H 25.6159 20.5595 40.4661 0.00725778 -0.000778281 0.00406563 19
5702 266 H 26.4494 22.0811 40.2354 -0.0110112 0.0223681 0.00748961 19
5703 267 H 24.931 23.2059 41.7888 0.0175351 0.000555989 -0.00128783 19
5704 268 H 23.8831 21.7602 41.9844 0.00252317 -0.0022699 0.0169513 19
5705 269 H 25.9393 20.6429 43.0048 0.000750999 0.000311215 0.000132121 19
5706 270 H 26.7583 22.1848 42.9323 0.00289711 -0.00776593 -0.000190573 19
5707 271 H 24.9432 23.2105 44.2956 0.00420495 -0.0023305 0.00291048 19
5708 272 H 24.0989 21.6573 44.3981 0.00302901 -0.00408343 -0.00609044 19
5709 273 H 26.0292 20.6354 45.5924 0.0124724 -0.00135138 0.00441709 19
5710 274 H 26.9036 22.1911 45.5792 -0.00430663 0.00522567 0.0211438 19
5711 275 H 24.1075 22.2276 46.678 0.00207348 -0.000591015 0.00124746 19
5712 276 H 25.4937 21.4386 47.6311 0.00436556 0.00146317 -0.00237957 19
5713 277 H 25.5866 23.1456 47.1467 0.0156669 -0.0098361 0.01871 19
5714 278 H 24.2398 12.7482 33.7241 -0.00444409 0.00567112 0.00761214 19
5715 279 H 25.9364 13.2098 33.442 -0.00156095 0.00993387 -0.00355008 19
5716 280 H 24.3899 14.6234 35.585 0.00174407 -0.00813235 0.013424 19
5717 281 H 26.1079 14.6241 35.2355 -0.002661 6.03807e-05 -0.00422296 19
5718 282 H 26.2401 12.1219 35.9386 -0.00529092 -0.00450064 -0.00529834 19
5719 283 H 24.4936 12.2851 36.2473 0.000435731 0.00450378 0.000476717 19
5720 284 H 25.0157 14.0804 37.9674 0.00459733 0.00148378 -0.00468019 19
5721 285 H 26.7323 13.867 37.5362 0.00510095 -0.000768045 0.000514996 19
5722 286 H 26.6562 11.556 38.4497 0.00747353 0.00758894 0.000251485 19
5723 287 H 24.9293 11.7434 38.7947 0.00097981 0.0039316 -0.00212821 19
5724 288 H 25.8019 13.9629 40.1874 0.00733527 0.00278852 0.00749071 19
5725 289 H 27.2863 13.0754 40.2557 0.00259675 -0.0155681 0.00590239 19
5726 290 H 25.9187 11.1381 41.378 -0.00355776 -0.00106275 0.00696771 19
5727 291 H 24.4919 12.0836 41.2125 0.00212462 -0.000480683 0.00872143 19
5728 292 H 25.7286 13.9819 42.5071 -0.00606992 0.00278195 0.00882225 19
5729 293 H 27.0081 12.8682 42.814 0.00334784 -0.0165721 -0.00952523 19
5730 294 H 25.1168 11.2801 43.8244 -0.00703804 -0.00540188 -0.00328243 19
5731 295 H 24.1339 12.7485 43.8006 -0.00662119 -0.0136987 -0.00445132 19
5732 296 H 25.8852 13.8843 45.2038 -0.00354996 -0.00181106 -0.0071905 19
5733 297 H 26.9003 12.4161 45.1496 -0.00162313 -0.00655134 0.00319184 19
5734 298 H 24.8334 11.2196 46.2059 0.0123073 -0.00248921 0.00629183 19
5735 299 H 24.1977 12.8496 46.5981 -0.00608908 -0.00214182 -0.00585846 19
5736 300 H 26.6433 11.4575 47.6516 0.00897122 0.00464142 -0.0114544 19
5737 301 H 25.2713 12.111 48.5982 -0.00328886 0.00499406 -0.00516112 19
5738 302 H 26.4202 13.2322 47.8166 0.0010486 -0.0033803 -0.00383385 19
5739 1 C 29.0333 27.4298 31.4589 -0.00201513 -0.000311987 0.00177839 20
5740 2 C 29.3418 27.2656 30.0805 0.0041003 0.00260786 -0.00531754 20
5741 3 C 28.9661 26.1287 29.3597 0.000120215 0.0035335 0.0017178 20
5742 4 C 28.2539 25.1657 30.0417 0.00027016 0.0012342 -0.00135816 20
5743 5 C 28.0246 25.2326 31.427 -0.00152246 -0.00345673 0.00229693 20
5744 6 C 28.3634 26.4159 32.1559 0.00213448 -0.00105454 0.00386953 20
5745 7 C 23.4621 24.1921 30.6226 -0.000832503 -6.72801e-05 0.00654974 20
5746 8 C 23.7353 24.2732 29.2552 -0.00522332 -0.00364238 -0.00228237 20
5747 9 C 25.0277 24.2047 28.7642 0.00299781 0.000316244 -0.00132317 20
5748 10 C 26.0719 24.1389 29.7047 -0.000617833 -0.000159079 -0.0034417 20
5749 11 C 25.8432 24.134 31.1336 -0.00185821 0.00358789 0.000310674 20
5750 12 C 24.5141 24.1089 31.5768 0.00244037 0.000629964 0.00310853 20
5751 13 C 28.975 20.6187 31.4602 -0.0043034 -0.00359015 0.000265817 20
5752 14 C 29.1232 20.6135 30.0881 0.00252965 0.00242535 -0.00011641 20
5753 15 C 28.6136 21.663 29.3462 0.0006755 0.00359499 0.00187372 20
5754 16 C 28.0393 22.7561 30.0323 -0.00328303 0.00146262 -0.00131512 20
5755 17 C 27.545 24.0107 29.317 -0.00612484 0.00145094 0.0021398 20
5756 18 O 28.5179 21.724 33.5507 0.00203527 -0.000778101 0.00151694 20
5757 19 O 24.2333 24.155 32.9167 -0.000318085 -0.00065676 -0.00241894 20
5758 20 O 27.9846 26.6459 33.4857 -0.000266102 -0.00273673 0.000938226 20
5759 21 C 28.4524 21.7471 32.1743 -0.00155536 -0.00243611 0.00126346 20
5760 22 C 27.8723 23.9786 27.8895 0.00348586 4.43609e-05 0.0053386 20
5761 23 C 28.3304 23.8913 26.7707 -0.00252413 -0.00293455 0.00406581 20
5762 24 C 29.0528 23.8655 25.53 0.00173946 0.00144799 -0.000270128 20
5763 25 C 29.3454 22.712 24.7951 0.0016058 -0.000462996 -0.00511322 20
5764 26 C 30.2383 22.7416 23.7211 -0.00143021 -0.000159235 -0.00137149 20
5765 27 C 30.8512 23.9553 23.3468 -0.000402917 -0.00182569 0.00171776 20
5766 28 C 30.5048 25.1174 24.0149 0.00427958 0.000146628 0.00164124 20
5767 29 C 29.6085 25.0703 25.1121 -0.00138429 -0.00213728 0.00176639 20
5768 30 C 31.6661 24.0078 22.1692 -0.00445185 -0.00488067 0.00160916 20
5769 31 C 32.1444 24.0275 21.0355 0.000621355 -0.000702849 0.00111777 20
5770 32 C 30.4906 20.8042 18.6426 0.00277717 0.000956514 -0.00244976 20
5771 33 C 30.6186 20.8749 17.2254 -0.000804971 0.00010614 0.00206477 20
5772 34 C 31.4298 21.8588 16.5891 -0.00023814 -0.000807977 0.00325859 20
5773 35 C 31.9877 22.8445 17.4187 -0.00169227 -0.001615 0.000518377 20
5774 36 C 31.7716 22.8108 18.8363 7.27333e-05 0.00254881 -0.00159418 20
5775 37 C 31.1032 21.7373 19.4472 -0.00312742 -0.00013145 -0.00157847 20
5776 38 C 32.4221 24.0029 19.577 -0.000865936 -0.00107926 0.00328544 20
5777 39 C 36.3309 24.1474 19.499 0.00191804 -0.00253035 0.0011066 20
5778 40 C 36.5085 24.0426 18.0959 0.000917069 0.000760014 -0.00152327 20
5779 41 C 35.4328 23.9903 17.2405 0.000277064 -0.000469207 -1.67708e-05 20
5780 42 C 34.111 23.9062 17.7755 0.00217954 -0.000882097 0.00290649 20
5781 43 C 33.8856 23.9541 19.1805 -0.00559086 0.00550607 -0.000799169 20
5782 44 C 35.0176 24.059 20.0482 0.00324397 0.00223119 -0.00209526 20
5783 45 C 31.2124 27.5753 18.7344 -0.000681777 0.0011999 -0.0017531 20
5784 46 C 31.6763 27.6291 17.4094 0.00347736 -0.00177716 0.00234174 20
5785 47 C 32.1894 26.505 16.7428 -0.00369728 0.00282726 -0.00311139 20
5786 48 C 32.2237 25.281 17.4448 -0.00157778 -0.000324511 0.00243341 20
5787 49 C 32.8571 24.026 16.9212 -0.00240287 -0.00170325 0.00109438 20
5788 50 C 31.9047 25.2534 18.8335 0.000810528 0.00301439 -0.00103338 20
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6018 280 H 28.1746 20.6686 36.1735 0.000761839 -0.00387139 -0.00117455 20
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6020 282 H 30.4716 18.8216 35.6411 -0.00309419 -0.0156875 0.00387769 20
6021 283 H 28.8613 18.4301 36.2569 0.0119172 -0.00930345 0.0217991 20
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6023 285 H 30.4105 18.1963 38.0233 -0.0175277 -0.00410977 0.00661404 20
6024 286 H 28.2816 19.6273 38.6685 -0.00110232 0.00904801 -0.01063 20
6025 287 H 29.4313 20.964 38.714 -0.00862589 -0.0010199 -0.000239546 20
6026 288 H 30.8714 19.6681 40.2941 -0.0024451 0.0063387 0.00157437 20
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6029 291 H 29.1264 21.0799 41.2309 -0.00730952 0.00550725 0.0213438 20
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6031 293 H 29.2851 18.2522 42.5029 -0.0165661 0.00474454 0.00297675 20
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6033 295 H 28.5494 20.8922 43.9042 -0.00158227 0.00221378 0.0149045 20
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6035 297 H 29.1807 18.135 45.0081 0.00210102 0.000543312 -0.0012403 20
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6037 299 H 28.5475 20.7854 46.4227 -0.00329977 0.00485168 0.00301532 20
6038 300 H 30.4586 19.515 47.4867 -0.00576399 0.0195112 0.00354543 20
6039 301 H 29.4071 18.108 47.6518 0.0129353 0.000254765 0.0206633 20
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6042 2 C 33.2556 20.2842 29.1696 0.00122078 -0.00151733 0.000746913 21
6043 3 C 32.656 19.1842 28.573 0.00110388 -0.00191267 0.000802114 21
6044 4 C 31.9115 18.2616 29.3573 -0.00161336 -0.000277452 0.000849816 21
6045 5 C 31.7629 18.4074 30.7334 0.00279184 0.00140945 -0.00087506 21
6046 6 C 32.4152 19.4684 31.3516 -0.00555485 0.00418746 -0.00157004 21
6047 7 C 27.1884 17.2402 30.3333 0.0041477 0.000814147 -0.00138786 21
6048 8 C 27.3248 17.161 28.9429 0.000546694 -0.00323197 -0.00249172 21
6049 9 C 28.6007 17.128 28.4136 0.00149413 0.00257599 -0.000354107 21
6050 10 C 29.7444 17.1093 29.2507 0.00187819 0.00109743 0.0025753 21
6051 11 C 29.5964 17.2079 30.6792 -0.00242989 0.00152704 -0.00303549 21
6052 12 C 28.2718 17.2603 31.2376 -0.00283108 -0.00362065 0.00165769 21
6053 13 C 32.9457 13.9239 31.2009 -0.00280448 0.000676832 0.00242011 21
6054 14 C 33.059 13.7756 29.847 0.00424069 -0.00304949 -0.00164925 21
6055 15 C 32.4905 14.7361 29.0124 0.00393764 -0.00228496 0.0017252 21
6056 16 C 31.7976 15.8358 29.5983 0.00152738 -0.0059364 0.00284983 21
6057 17 C 31.2161 17.0216 28.7973 -0.00131094 -0.00170052 0.00122832 21
6058 18 O 32.1041 15.0563 33.1701 -0.00226768 -0.0020021 -0.00183948 21
6059 19 O 28.0638 17.2852 32.6156 0.000587289 -0.00129229 -0.000744235 21
6060 20 O 32.4066 19.5919 32.7251 -0.00168318 0.000955384 0.00322665 21
6061 21 C 32.2675 14.9943 31.8129 -0.00199397 0.00293055 -0.000920698 21
6062 22 C 31.4486 16.8761 27.3727 0.00209091 0.00360994 -0.00260426 21
6063 23 C 31.9252 16.8058 26.271 0.00239779 0.00618101 0.00224379 21
6064 24 C 32.6988 16.7762 25.0812 0.00387923 -0.00166344 -0.00522918 21
6065 25 C 33.7608 15.8463 25.0036 0.000288296 0.00473602 -0.000322995 21
6066 26 C 34.7407 16.0193 24.0047 -0.00255537 0.00103152 -0.00109692 21
6067 27 C 34.6324 17.1097 23.1386 -0.000792142 -0.00177051 0.00129591 21
6068 28 C 33.5727 18.0632 23.2122 -0.000105165 -0.00122502 0.00431133 21
6069 29 C 32.5707 17.8259 24.1665 0.00351352 0.00606387 -0.000603206 21
6070 30 C 35.4628 17.238 21.9753 0.00297335 -0.000684086 0.00337687 21
6071 31 C 36.0173 17.2828 20.9166 0.00102097 -0.00313724 -0.00190366 21
6072 32 C 35.0703 13.626 18.8408 0.00457944 -0.000794943 0.00309018 21
6073 33 C 35.1798 13.6516 17.4712 0.00121696 -0.0026564 0.000744847 21
6074 34 C 35.6571 14.7743 16.7706 0.00158876 -0.00308843 -0.000209601 21
6075 35 C 35.92 15.9685 17.4535 0.00102426 0.0038428 0.00152079 21
6076 36 C 35.7564 15.962 18.8486 0.000557082 0.00134269 0.0010892 21
6077 37 C 35.3971 14.793 19.5184 0.00207397 -0.00142154 0.00302842 21
6078 38 C 36.2867 17.2486 19.5202 0.00387377 -0.00438303 0.00192371 21
6079 39 C 40.2094 17.2735 19.2871 0.00100226 0.00055284 -0.00407651 21
6080 40 C 40.3179 17.4078 17.9069 -0.000197804 0.00316347 0.00157186 21
6081 41 C 39.1912 17.4883 17.1077 -0.00696492 0.000934224 0.00193513 21
6082 42 C 37.9111 17.3637 17.6741 -0.00192274 -0.00290023 0.000546755 21
6083 43 C 37.7716 17.2681 19.0818 -0.00407006 -0.00377848 0.0042007 21
6084 44 C 38.936 17.2167 19.8899 -0.000514709 0.00286786 -0.00218075 21
6085 45 C 34.5454 20.5553 18.5587 0.000907914 -0.00367367 -0.000263921 21
6086 46 C 34.624 20.484 17.171 0.000685851 0.00349316 0.00148019 21
6087 47 C 35.216 19.3567 16.5815 0.000331501 0.00384771 -0.00186211 21
6088 48 C 35.779 18.3743 17.3934 0.00133129 0.00207657 -0.0027469 21
6089 49 C 36.6224 17.2183 16.8621 0.00135451 0.00223302 -0.000348051 21
6090 50 C 35.6205 18.412 18.7884 0.00301799 0.000525745 0.00161126 21
6091 51 C 35.0472 19.5317 19.3842 -0.00217091 0.000195266 0.00347279 21
6092 52 O 39.3344 17.8264 15.7631 9.27796e-06 -0.00251009 0.000421687 21
6093 53 O 35.7914 14.7092 15.4081 -0.00325026 0.00255483 -0.00245538 21
6094 54 O 35.2501 19.2179 15.2199 0.00341011 0.00415107 0.00228696 21
6095 55 C 30.9613 17.2807 31.4321 0.00236256 0.00039611 0.00612482 21
6096 56 C 31.6772 15.9724 30.9873 -0.00341526 -0.00276886 -0.00066367 21
6097 57 C 39.4719 16.7157 14.8884 0.00301648 -0.00182354 0.00101785 21
6098 58 C 38.6022 16.8683 13.5926 -0.000423867 0.00128408 0.000701329 21
6099 59 C 39.3306 17.4798 12.3837 -0.000139547 -0.00287147 0.000583108 21
6100 60 C 38.6153 17.4107 10.9957 -0.00045542 0.00632084 0.00338082 21
6101 61 C 38.1931 15.987 10.5803 0.00277421 -0.000980091 0.000771648 21
6102 62 C 37.6656 15.7764 9.10258 -0.00327771 -0.00274816 -0.00114449 21
6103 63 C 38.4821 16.5389 8.04963 -0.00376218 -0.00049278 -0.000121438 21
6104 64 C 37.885 16.2032 6.7098 0.00124463 0.0022022 -0.00205758 21
6105 65 C 38.5593 16.9861 5.6109 -0.000475932 7.02963e-05 0.00299796 21
6106 66 C 38.1485 16.3812 4.21608 -0.00221323 0.00181213 -0.00131006 21
6107 67 C 38.7619 17.251 3.05771 0.00261565 0.00330072 -0.00234584 21
6108 68 C 38.437 16.6252 1.64441 0.000738368 0.00147549 -0.000900087 21
6109 69 F 35.7274 15.0956 23.8597 0.00282971 9.87069e-05 0.000970811 21
6110 70 C 36.8002 13.8079 14.9111 0.00141815 0.00331549 0.000539287 21
6111 71 C 36.5671 13.5498 13.4517 -0.000339296 -0.00408339 0.00281176 21
6112 72 C 37.7653 12.9434 12.7045 -0.00130215 -0.000153422 0.00439373 21
6113 73 C 37.4603 12.5254 11.247 0.00369426 -0.00102594 -0.00375611 21
6114 74 C 38.5029 11.5499 10.6507 0.000576542 0.000983221 -0.000337765 21
6115 75 C 38.0552 10.8977 9.3209 0.000536891 -0.0015831 0.00223141 21
6116 76 C 38.0705 11.8022 8.11074 0.00230085 0.00172686 0.000724819 21
6117 77 C 37.9561 10.9747 6.78519 0.00207251 -0.00108171 0.0031709 21
6118 78 C 38.1643 11.8472 5.57269 0.00139875 0.00447728 -0.000275948 21
6119 79 C 38.26 11.0393 4.25417 -0.00355629 -0.00281841 0.00131384 21
6120 80 C 38.7588 11.9985 3.15305 0.00262869 -0.00116572 -0.000556297 21
6121 81 C 38.9156 11.3046 1.76742 -0.00450993 0.00104368 -0.000530701 21
6122 82 C 34.1619 18.4541 14.713 -0.000667338 0.00180447 -0.00265434 21
6123 83 C 34.01 18.7559 13.1994 0.000469796 0.00200727 0.00134491 21
6124 84 C 35.1432 18.1449 12.366 -0.00359928 0.00198976 -0.00382697 21
6125 85 C 34.8067 18.1013 10.876 0.00174383 -0.00170217 -0.00245397 21
6126 86 C 34.521 19.4515 10.2226 -0.00338889 -0.00130808 0.00135673 21
6127 87 C 34.0214 19.3827 8.75396 -7.51693e-05 0.00155135 0.00359116 21
6128 88 C 34.91 18.6461 7.72053 -0.00438822 0.000579485 -0.000125628 21
6129 89 C 34.6516 19.2462 6.3156 -0.00302157 -0.00268096 0.00210836 21
6130 90 C 35.2315 18.5618 5.07082 -0.000411793 0.00237917 0.00335027 21
6131 91 C 34.5688 19.1315 3.75804 -0.00164959 0.00539385 0.0032929 21
6132 92 C 35.1684 18.4879 2.4754 0.00097906 -0.00387488 -0.000618642 21
6133 93 C 34.4334 19.0708 1.17532 -0.000125764 0.00124805 -0.000787793 21
6134 94 C 26.7256 17.2875 33.0973 0.00502881 -0.00544752 -0.000161129 21
6135 95 C 26.6897 17.3834 34.6225 -0.00234932 0.00213617 0.00263138 21
6136 96 C 25.2622 17.3545 35.2481 0.00575865 0.000635 0.00130822 21
6137 97 C 25.1905 17.1857 36.807 -0.0050817 0.00139881 -0.00159126 21
6138 98 C 26.3525 17.7781 37.6413 -0.00328306 -0.00175247 0.00186645 21
6139 99 C 26.147 17.8674 39.1811 0.00463735 -0.000587829 0.00278463 21
6140 100 C 25.4587 16.6638 39.829 0.000741951 0.000564501 0.00137549 21
6141 101 C 25.3601 16.5511 41.3847 -8.35543e-05 -0.00124578 0.00196013 21
6142 102 C 25.3303 17.9029 42.1328 -0.000119377 0.000121636 0.000437952 21
6143 103 C 24.8117 17.8192 43.619 -0.00417754 0.00327021 0.000115621 21
6144 104 C 25.4649 16.7446 44.5202 -0.00296855 0.00151116 0.000198643 21
6145 105 C 24.9288 16.7845 45.9644 -0.00377154 0.00280423 -0.00399362 21
6146 106 C 33.0868 20.6996 33.3417 0.00225445 0.0016103 0.0020112 21
6147 107 C 32.9516 20.7494 34.8841 0.000511987 0.00349858 -0.00242829 21
6148 108 C 33.4779 22.0981 35.4455 -0.000494913 -0.000437155 -0.0042688 21
6149 109 C 32.953 22.3855 36.8713 0.000295494 0.00179008 -0.00422657 21
6150 110 C 33.701 21.6549 38.0238 0.000479116 -0.00336704 0.00222006 21
6151 111 C 32.9173 21.8679 39.3389 0.00108052 0.00423555 -0.000610377 21
6152 112 C 33.6411 21.3883 40.624 0.00162554 -0.000800879 0.00306194 21
6153 113 C 32.8276 21.5569 41.9028 0.000180803 -0.000588615 0.00187569 21
6154 114 C 33.6193 21.3072 43.1753 0.000532213 0.00261259 -0.00289867 21
6155 115 C 32.7446 21.539 44.419 0.00253203 0.00489773 0.00349831 21
6156 116 C 33.5434 21.6906 45.7703 0.00133884 -0.000702391 -0.00220181 21
6157 117 C 33.5813 20.3944 46.5794 0.000246911 -0.00105999 0.00167405 21
6158 118 C 32.0881 13.8585 33.9976 0.00140369 0.00181275 -0.00211843 21
6159 119 C 33.5368 13.3541 34.3375 0.0016719 0.00297397 0.000540674 21
6160 120 C 33.6708 12.6759 35.7311 9.19688e-05 -0.00464353 -0.000770683 21
6161 121 C 32.9978 13.3145 36.9137 0.00564039 0.00335061 0.00353838 21
6162 122 C 33.5691 12.7567 38.252 -0.00145924 -0.000666034 -0.0016979 21
6163 123 C 32.7673 13.2059 39.4794 0.00331914 -0.001855 0.00145872 21
6164 124 C 33.5194 12.9481 40.794 -0.000247224 -0.00202249 0.000326866 21
6165 125 C 32.6282 13.0611 42.0434 0.000878962 -0.000186538 -0.00120142 21
6166 126 C 33.4107 12.9877 43.3378 0.00119176 -0.006674 0.00187027 21
6167 127 C 32.497 12.9864 44.5416 -0.000512478 0.00207752 0.00278505 21
6168 128 C 33.2241 12.8084 45.9018 -0.00173381 0.00152628 0.00253219 21
6169 129 C 32.2106 12.715 47.076 0.000844632 -0.00130368 0.00198685 21
6170 130 F 33.8895 14.8384 25.91 -0.00350884 0.00337416 0.00143822 21
6171 131 H 33.713 21.2227 30.9726 0.000771443 0.00658445 -0.00321902 21
6172 132 H 33.862 20.9794 28.5965 -0.017934 0.00678478 -0.00942409 21
6173 133 H 32.7445 19.109 27.4933 0.0182613 0.00865163 0.00146569 21
6174 134 H 26.1707 17.2355 30.7125 0.00540752 -0.00118882 0.00197156 21
6175 135 H 26.4416 17.1451 28.3112 0.00174596 -0.00824284 -0.00403446 21
6176 136 H 28.7408 17.0019 27.3441 0.0072735 0.00764754 -0.000196854 21
6177 137 H 33.368 13.1297 31.8093 -0.00623634 0.0070338 0.0131411 21
6178 138 H 33.6282 12.9573 29.416 0.00523601 -0.00509739 0.00356048 21
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6180 140 H 33.5052 18.8762 22.4954 -0.0098129 -0.013322 -0.00850851 21
6181 141 H 31.7577 18.5369 24.2799 -0.00484322 -0.00231992 -0.00799945 21
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6184 144 H 35.3683 14.7286 20.6021 0.00313799 -0.0176293 0.00211992 21
6185 145 H 41.0943 17.175 19.9089 -0.00466543 0.00736951 0.00507125 21
6186 146 H 41.2735 17.4384 17.3919 0.0101883 0.00829469 0.0212103 21
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6188 148 H 34.1247 21.4459 19.0161 0.00871799 0.00397707 -0.00793627 21
6189 149 H 34.0889 21.2121 16.5685 -0.0050483 -0.0061807 -0.00515 21
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6191 151 H 35.0168 19.6256 20.4657 -0.00188278 -0.000805085 0.0035686 21
6192 152 H 30.8557 17.4095 32.5164 -0.00168644 0.00651825 0.00500597 21
6193 153 H 40.5281 16.5853 14.6223 0.00606609 0.00844035 0.00807276 21
6194 154 H 39.079 15.8152 15.3764 -0.00521178 0.00629786 0.00936836 21
6195 155 H 37.6703 17.4223 13.7601 -0.00468233 -0.0088795 0.0105775 21
6196 156 H 38.2839 15.861 13.2969 -0.0035259 -0.000836578 0.0112902 21
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6201 161 H 37.4122 15.6636 11.2797 -0.00081376 -0.00917931 -0.0070393 21
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6203 163 H 36.6016 16.0357 9.03807 0.00108691 0.0159746 0.00230012 21
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6210 170 H 38.2649 18.0421 5.65234 -0.00286396 -0.000927746 0.0112769 21
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6212 172 H 38.5499 15.3634 4.13657 -0.00714148 -0.000328558 0.00127419 21
6213 173 H 39.8487 17.368 3.14981 0.00195464 0.0038175 0.00473226 21
6214 174 H 38.3818 18.2756 3.15242 0.0005239 0.00215692 0.00165869 21
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6220 180 H 35.694 12.899 13.3197 0.00128121 -0.0046724 -0.00507735 21
6221 181 H 36.3072 14.5087 12.9866 0.00608431 -0.00230701 0.00288821 21
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6224 184 H 36.5036 11.989 11.2254 0.00402071 -0.00153866 -0.00550133 21
6225 185 H 37.3638 13.4549 10.6724 -0.0057453 0.012005 0.0188107 21
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6230 190 H 37.2607 12.5402 8.16545 -0.0074726 -0.0107101 0.0234389 21
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6241 201 H 39.2537 12.0037 0.992591 0.00411726 -0.00155212 0.000924696 21
6242 202 H 39.5467 10.4127 1.86569 -0.00484375 0.00169609 0.00768894 21
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6246 206 H 33.9488 19.8449 13.083 0.000177689 0.00332721 0.0136813 21
6247 207 H 36.061 18.7212 12.5364 -0.00224429 0.000939676 -0.00757699 21
6248 208 H 35.339 17.1276 12.7267 0.00234796 0.00199931 -0.00703264 21
6249 209 H 35.6368 17.6726 10.3011 0.000296089 -0.013329 0.00417593 21
6250 210 H 33.9074 17.4896 10.7331 -0.00726549 0.00837265 0.0110032 21
6251 211 H 33.7248 19.9653 10.7752 -0.00033993 0.00481333 6.84339e-05 21
6252 212 H 35.3663 20.1465 10.2985 -0.0094649 0.00555767 0.00637177 21
6253 213 H 32.993 19.002 8.72722 -0.00351747 0.0114616 -0.00564858 21
6254 214 H 33.9266 20.4146 8.39391 0.0136271 0.00484934 0.00947569 21
6255 215 H 35.9729 18.6794 7.9897 0.00167408 0.0058253 -0.0247627 21
6256 216 H 34.681 17.5733 7.71805 0.00883469 -0.00229328 0.0164385 21
6257 217 H 33.5652 19.2174 6.16561 -0.00243827 0.00431675 -0.0034488 21
6258 218 H 34.9393 20.3047 6.32841 -0.00252082 -0.00295566 0.0143319 21
6259 219 H 36.3062 18.7754 5.01829 0.000681497 -0.00252479 0.00585303 21
6260 220 H 35.1098 17.4719 5.09942 0.0177783 0.000224227 -0.000879319 21
6261 221 H 33.4825 18.9796 3.76887 0.001653 -0.0183827 0.00179608 21
6262 222 H 34.7741 20.1935 3.57512 0.0133671 0.000506749 -0.0085974 21
6263 223 H 36.2572 18.5929 2.39234 -0.00136446 0.00744152 -0.0168672 21
6264 224 H 35.035 17.4023 2.5589 -0.0117041 -0.00158908 0.00879518 21
6265 225 H 34.6498 20.1425 1.08552 0.0133542 -0.00082188 0.0069575 21
6266 226 H 34.7643 18.6157 0.233644 0.0050956 -0.00176912 0.00250696 21
6267 227 H 33.3417 18.9926 1.2481 -0.000876453 0.00420738 -0.00885222 21
6268 228 H 26.229 18.1796 32.696 -0.0177903 -0.0129871 0.0113398 21
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6270 230 H 27.2938 16.5507 35.0035 -0.0112311 -0.0042041 0.00286819 21
6271 231 H 27.148 18.324 34.9518 0.00157275 0.00798926 -0.0196385 21
6272 232 H 24.7304 18.2608 34.9333 0.0119828 -0.000752238 -0.0132728 21
6273 233 H 24.6412 16.6096 34.7353 0.0126545 0.000778548 -0.00726556 21
6274 234 H 24.2372 17.5784 37.1816 -0.00719158 0.0062978 -0.0121252 21
6275 235 H 25.1808 16.1135 37.0386 0.00619545 0.00421118 0.011937 21
6276 236 H 27.2223 17.1353 37.4577 0.00510819 0.0105403 -0.00127006 21
6277 237 H 26.5464 18.8014 37.2968 -0.0206919 -0.0019098 -0.00845248 21
6278 238 H 27.1182 18.0043 39.6726 0.00755534 0.0023557 -0.00380531 21
6279 239 H 25.5704 18.7812 39.3705 0.0110209 0.00203226 0.00958269 21
6280 240 H 24.4063 16.6952 39.5208 0.00341065 0.00383797 -0.00736155 21
6281 241 H 25.8462 15.7425 39.3768 0.0116137 0.00593841 -0.000204514 21
6282 242 H 24.4809 15.9439 41.6331 -0.00185454 0.00311446 0.0063134 21
6283 243 H 26.2343 15.9964 41.7474 0.00597137 -0.00113683 -0.0124407 21
6284 244 H 26.3542 18.296 42.1138 -0.00513786 0.0140023 0.0180969 21
6285 245 H 24.6548 18.5957 41.616 -0.00722695 0.000818061 0.0106252 21
6286 246 H 24.8663 18.791 44.125 -0.005863 -0.00413729 0.0145591 21
6287 247 H 23.7399 17.5857 43.6124 -0.00390662 0.00242282 -0.0120979 21
6288 248 H 25.2533 15.7297 44.1614 0.00245027 -0.00217529 0.00737941 21
6289 249 H 26.5553 16.8654 44.5188 -0.00334311 0.00482447 -0.00533425 21
6290 250 H 25.1677 17.7213 46.4828 -0.00457783 0.00604889 -0.00949167 21
6291 251 H 23.8324 16.7578 45.9367 -0.00403947 0.00317178 0.00630549 21
6292 252 H 25.256 15.9487 46.5951 0.000177841 0.00572747 -0.00217002 21
6293 253 H 34.1492 20.6083 33.0841 -0.000215284 -0.00805259 -0.00478315 21
6294 254 H 32.6979 21.6374 32.9264 -0.00743379 -0.00369012 -0.000877494 21
6295 255 H 31.8914 20.5982 35.1219 0.00122069 0.00224608 -7.06543e-05 21
6296 256 H 33.5013 19.9258 35.3563 -0.000506848 0.0033057 -0.00157669 21
6297 257 H 34.5722 22.0564 35.382 9.98223e-05 -0.00637893 0.0099507 21
6298 258 H 33.2466 22.9671 34.8171 -0.00310087 -0.00135462 -0.00457287 21
6299 259 H 32.899 23.4618 37.0763 -0.00135358 0.00364458 -0.0144204 21
6300 260 H 31.9039 22.0656 36.852 -0.00118044 0.00630416 0.00136293 21
6301 261 H 33.8084 20.5855 37.804 -0.000920264 -0.00432442 0.00620845 21
6302 262 H 34.7249 22.0459 38.0697 0.00234787 -0.00763884 -0.0028056 21
6303 263 H 32.6742 22.9229 39.5163 -0.00625271 0.000979721 0.00885644 21
6304 264 H 31.9476 21.3597 39.2697 0.0142614 -0.0198481 -0.0081878 21
6305 265 H 33.7642 20.3104 40.4615 0.008656 4.73615e-05 0.00289207 21
6306 266 H 34.5973 21.9256 40.6428 -0.0073548 0.01535 -0.000451584 21
6307 267 H 32.4793 22.597 41.9243 -0.0198373 -0.00750488 0.0115213 21
6308 268 H 31.9364 20.9175 41.9217 -0.00309859 0.00386855 -0.00219492 21
6309 269 H 34.0019 20.2797 43.1387 -0.00591628 4.70991e-06 0.00316284 21
6310 270 H 34.478 21.9898 43.1721 0.000632176 0.00244544 -0.0141381 21
6311 271 H 32.2382 22.502 44.279 -0.00558855 0.0016914 0.0107903 21
6312 272 H 31.908 20.837 44.5233 0.00809109 9.48415e-05 0.0157882 21
6313 273 H 34.5713 22.0495 45.6359 0.00146408 -0.000233542 -2.13487e-05 21
6314 274 H 33.0925 22.4488 46.4224 -0.000288185 -0.00656798 0.00349834 21
6315 275 H 33.9629 19.577 45.9552 0.00436469 0.00157114 0.000749211 21
6316 276 H 34.2484 20.4935 47.4446 0.00585291 -0.00529539 -0.00216214 21
6317 277 H 32.603 20.0689 46.9541 -0.00173765 -0.000707946 -0.00322285 21
6318 278 H 31.6643 14.2223 34.9417 0.00114589 0.0170878 -0.00808759 21
6319 279 H 31.4983 13.0565 33.5367 -0.00801425 0.000190779 0.0127865 21
6320 280 H 34.2638 14.1628 34.1931 0.00127759 0.00407453 0.00475193 21
6321 281 H 33.8546 12.5917 33.6157 0.000204105 -0.00761868 0.011108 21
6322 282 H 34.7368 12.5731 35.9684 0.00166144 0.00265435 -0.00466098 21
6323 283 H 33.3237 11.6409 35.623 0.0153704 -0.00873508 -0.0108105 21
6324 284 H 31.9248 13.0868 36.8996 0.00543585 0.0042642 0.00437138 21
6325 285 H 33.2051 14.3915 36.8895 0.00213259 0.00392347 -0.000564751 21
6326 286 H 34.6196 13.0542 38.3581 -0.00455818 0.00790096 0.0048167 21
6327 287 H 33.6405 11.662 38.2496 0.00543433 -0.000177444 -0.02176 21
6328 288 H 31.7679 12.7546 39.4504 0.00382771 -0.00300303 0.00189818 21
6329 289 H 32.576 14.2789 39.3556 0.0060058 -0.000978973 0.00495251 21
6330 290 H 34.3524 13.6393 40.9724 0.0160538 -0.0187349 -0.0112247 21
6331 291 H 33.9099 11.9238 40.8341 0.00646348 0.000196618 -0.00901133 21
6332 292 H 31.8331 12.3056 42.0217 0.00689385 -0.00667629 0.00489848 21
6333 293 H 32.1493 14.0471 41.9991 -1.11663e-05 -0.000669231 -0.00232373 21
6334 294 H 34.0776 13.8564 43.4011 0.0141181 -0.0173401 0.0120589 21
6335 295 H 34.0117 12.07 43.3427 0.00663411 -0.0030264 0.0166811 21
6336 296 H 31.7424 12.1939 44.4638 -0.00133875 0.00357898 -0.0044185 21
6337 297 H 31.9552 13.9384 44.4825 -0.00636345 -0.00186074 -0.00731983 21
6338 298 H 33.9512 13.6139 46.0624 0.00591004 -0.00652032 0.00844376 21
6339 299 H 33.9063 11.9495 45.9197 -0.000600896 0.00236093 -0.000565256 21
6340 300 H 32.7296 12.4843 48.0145 -0.0180534 0.000512143 0.0128541 21
6341 301 H 31.4754 11.9358 46.8398 -0.0107861 0.0129686 -0.00896502 21
6342 302 H 31.6871 13.6761 47.1509 -0.00330505 -0.00341977 0.000143558 21
6343 1 C 36.7909 27.2403 31.0319 0.0042271 -0.000277338 -0.00725015 22
6344 2 C 37.0072 27.1027 29.6553 0.00475449 0.00472719 -0.00106546 22
6345 3 C 36.611 25.9613 28.9812 -0.00258981 0.0015975 -0.000847025 22
6346 4 C 35.9701 24.9153 29.692 0.00185697 5.02825e-05 0.000577033 22
6347 5 C 35.8004 25.0389 31.0903 0.00246046 -0.000584067 0.002784 22
6348 6 C 36.1712 26.213 31.7571 -0.00406369 0.0005139 -0.00238862 22
6349 7 C 31.389 23.707 30.424 -0.000374581 0.00124618 0.00371232 22
6350 8 C 31.6324 23.583 29.075 5.29145e-05 -0.00151768 0.00336983 22
6351 9 C 32.9329 23.534 28.5924 -0.00105334 0.00323593 -0.00199095 22
6352 10 C 33.9753 23.5961 29.5088 0.000763186 0.000729181 0.00296501 22
6353 11 C 33.7718 23.7341 30.8857 -0.00142949 0.000406409 0.000437642 22
6354 12 C 32.4517 23.8414 31.3462 -0.00238047 -0.00064485 0.00143162 22
6355 13 C 37.0265 20.4566 31.6155 0.00145933 0.00487158 0.000900474 22
6356 14 C 37.1199 20.3677 30.2135 0.000305986 4.832e-05 0.00324529 22
6357 15 C 36.6671 21.3843 29.3892 -0.00505049 -0.00180767 0.000982588 22
6358 16 C 36.0101 22.4943 29.963 -0.000616124 -0.000807268 -0.000318598 22
6359 17 C 35.4458 23.5892 29.1282 -0.00191068 0.000791747 -0.00615018 22
6360 18 O 36.3605 21.6406 33.6421 -0.00634932 -0.00298177 -0.000955984 22
6361 19 O 32.2206 24.0396 32.706 0.000457208 -0.00161782 0.000144175 22
6362 20 O 35.8812 26.3535 33.097 0.000504877 -0.00483694 0.00038288 22
6363 21 C 36.4106 21.5566 32.2412 0.00329492 -0.00178489 -0.00289944 22
6364 22 C 35.7189 23.4916 27.7012 5.41917e-05 0.000692972 0.00280945 22
6365 23 C 36.1882 23.5167 26.5889 0.000849028 0.00213967 0.00287687 22
6366 24 C 36.9524 23.5113 25.3834 0.000509978 -0.000395173 0.00104281 22
6367 25 C 37.988 22.5698 25.2234 -0.00355277 0.00319882 -0.000528987 22
6368 26 C 38.8392 22.652 24.138 0.00441085 -0.00194844 -0.000774237 22
6369 27 C 38.6947 23.6738 23.2003 -0.00188568 0.00209856 0.000928082 22
6370 28 C 37.6676 24.635 23.3487 -0.00335509 -0.00229294 0.000168145 22
6371 29 C 36.7656 24.5352 24.4286 0.00341363 0.00397564 -0.0014171 22
6372 30 C 39.5419 23.7199 22.0651 -0.00362981 0.000910671 0.000706526 22
6373 31 C 40.0104 23.865 20.9673 0.00244176 0.00159637 -0.00115366 22
6374 32 C 38.3721 20.7162 18.577 0.00408119 0.00370696 -0.00316117 22
6375 33 C 38.4633 20.7921 17.1889 -0.00233592 -0.00101381 -0.00557312 22
6376 34 C 39.243 21.7438 16.5477 0.000491924 0.00560156 -0.0028478 22
6377 35 C 39.7672 22.7845 17.3378 0.00111162 -0.0030791 -0.0062794 22
6378 36 C 39.6189 22.8088 18.7581 -0.00249753 0.00232603 0.00417437 22
6379 37 C 38.898 21.7508 19.3483 0.00216534 -0.00442934 0.0044086 22
6380 38 C 40.3077 23.9449 19.5111 0.000433864 0.00409476 -0.00101636 22
6381 39 C 44.1543 23.7155 19.3939 0.00266841 -0.00279986 -0.00160871 22
6382 40 C 44.3199 23.9147 18.0097 0.00321387 -0.00643216 -0.000789938 22
6383 41 C 43.2329 23.8936 17.1387 0.00245303 0.00336646 0.00217311 22
6384 42 C 41.9484 23.7922 17.6603 0.00377971 -0.00337282 0.00163122 22
6385 43 C 41.7572 23.803 19.0867 -0.000110391 0.00169495 -0.0022027 22
6386 44 C 42.8727 23.6025 19.9468 0.00284197 -0.000110116 0.00389245 22
6387 45 C 38.6875 27.3226 18.6875 0.00288301 0.00018831 0.00224408 22
6388 46 C 38.8497 27.3692 17.3054 0.00147634 0.00344655 0.00213444 22
6389 47 C 39.4667 26.3021 16.6415 -0.000541576 -0.00220547 -0.00299236 22
6390 48 C 39.9534 25.2021 17.3882 -0.00052727 0.00287716 0.00239063 22
6391 49 C 40.6215 23.9368 16.8314 -0.0028417 -0.000326993 -0.0021735 22
6392 50 C 39.7741 25.2015 18.813 -0.00177061 0.00140676 -0.00176734 22
6393 51 C 39.1198 26.2506 19.4796 -0.00510186 0.00321672 -0.00088954 22
6394 52 O 43.4237 24.1728 15.7825 -0.00135995 -0.00343952 -0.00179381 22
6395 53 O 39.3937 21.7934 15.182 -0.00173662 0.000764646 -6.43376e-05 22
6396 54 O 39.5162 26.4095 15.2426 -0.00196243 -0.000503304 -0.00607387 22
6397 55 C 35.0583 23.8513 31.7334 -0.00542209 -0.00100688 0.000116423 22
6398 56 C 35.8778 22.5933 31.3676 0.000476455 0.00252614 -0.00136591 22
6399 57 C 43.8077 23.1367 14.8602 -0.00464793 0.00252511 0.00143198 22
6400 58 C 42.8182 23.265 13.6866 0.000496189 0.000684125 -0.0001513 22
6401 59 C 43.2603 22.6668 12.3258 -0.00126775 0.00176153 0.00466106 22
6402 60 C 42.102 22.8598 11.316 -0.00106088 0.0019843 0.000805606 22
6403 61 C 42.454 22.7368 9.86878 0.00608555 0.00611067 -0.00413508 22
6404 62 C 43.1599 24.0027 9.33312 -0.00304361 0.00109346 -0.00113533 22
6405 63 C 42.5702 24.5289 7.98888 0.00647768 0.00043255 -0.0051534 22
6406 64 C 42.6474 23.4852 6.84616 0.00222565 0.00171694 -0.00243204 22
6407 65 C 42.467 24.0804 5.46596 -0.000513975 0.00297708 0.00211202 22
6408 66 C 42.6754 23.0709 4.31901 0.00276845 -0.000658889 -0.00385007 22
6409 67 C 42.566 23.6828 2.91789 -0.00266424 -0.00325766 0.00219115 22
6410 68 C 43.6009 24.7755 2.63798 0.00375898 -0.00135813 0.000769696 22
6411 69 F 39.8085 21.7236 24.0041 -0.000514187 -0.00103793 0.0027432 22
6412 70 C 38.6683 20.9754 14.2482 0.00187014 0.0029265 -0.00299542 22
6413 71 C 39.2005 21.318 12.8339 -0.000747704 0.000777584 0.00166933 22
6414 72 C 38.1958 20.9526 11.719 -0.00278587 0.00172002 -0.00214958 22
6415 73 C 38.8478 20.8734 10.3222 0.0010993 -0.00100145 -0.00111049 22
6416 74 C 37.849 20.5405 9.19325 -0.00391111 0.00363602 0.0012112 22
6417 75 C 38.4211 20.3576 7.80145 0.00163655 -0.000742354 0.0037904 22
6418 76 C 38.5693 21.6668 6.99524 -0.00214004 0.00383576 0.0015764 22
6419 77 C 38.5567 21.2648 5.4768 0.00309338 0.00239521 0.0010411 22
6420 78 C 38.6851 22.4333 4.48278 0.00135487 0.00167265 0.00177398 22
6421 79 C 38.5085 21.9042 3.04335 0.00291834 0.000110603 -0.00252083 22
6422 80 C 39.6575 20.9911 2.57212 0.00531736 -0.000916896 -0.00138573 22
6423 81 C 39.3703 20.3031 1.21166 -0.00205692 -0.00156921 -0.000633849 22
6424 82 C 40.6226 26.0774 14.4049 -0.00252854 -0.00144074 -0.00501 22
6425 83 C 40.8394 27.2058 13.3789 0.002804 -0.00134831 0.00498383 22
6426 84 C 41.4406 26.8 12.0426 0.00530735 -0.00386828 -0.00290992 22
6427 85 C 41.5376 28.0204 11.105 -0.00112007 -0.000537739 0.000840562 22
6428 86 C 41.9718 27.6825 9.68454 0.0011432 -0.00318278 -0.000449763 22
6429 87 C 42.4214 28.9508 8.91338 -0.00211291 0.00472388 -0.00153103 22
6430 88 C 42.8539 28.7109 7.41154 0.00332499 -0.000922482 -0.000201478 22
6431 89 C 41.7544 28.0494 6.51465 -0.00115213 0.00343807 -0.000182692 22
6432 90 C 42.2136 27.6612 5.06184 0.000854954 -0.000352176 0.000951636 22
6433 91 C 42.2731 28.9322 4.20412 0.00213399 -0.00181704 0.00318453 22
6434 92 C 42.7482 28.66 2.76424 0.00151398 -0.00132923 0.00330887 22
6435 93 C 41.6828 27.9584 1.91612 -0.00247281 -0.00190625 0.00269916 22
6436 94 C 30.8621 24.2186 33.1528 0.000690604 0.00540743 -0.00294603 22
6437 95 C 30.7857 23.8786 34.6614 -0.00564335 0.00135769 0.00384476 22
6438 96 C 29.5556 24.5186 35.2577 -0.000732479 0.00251336 0.000578729 22
6439 97 C 28.9887 23.9803 36.6111 0.00166278 -1.58535e-05 -0.00436464 22
6440 98 C 29.8667 24.1883 37.8528 0.0030575 0.00458058 -0.00386674 22
6441 99 C 29.0672 23.9579 39.1463 -0.00430536 -0.00191539 0.000988745 22
6442 100 C 29.9527 23.7317 40.3982 0.002409 -0.000207257 -0.00165066 22
6443 101 C 29.1741 23.8657 41.6806 0.00223499 7.55805e-05 0.00234519 22
6444 102 C 30.0151 23.5138 42.9307 -0.00332313 -0.000342535 -0.000815328 22
6445 103 C 29.2719 23.9022 44.2379 -0.000303298 -0.00277589 0.00379357 22
6446 104 C 29.9992 23.5649 45.5772 0.00201359 -0.00172631 -0.00265636 22
6447 105 C 29.3456 24.3196 46.7523 -0.00397462 -0.00125769 0.00249588 22
6448 106 C 35.8193 27.6403 33.7058 0.00538508 -0.00105856 -0.00107821 22
6449 107 C 37.2427 28.1348 34.0851 -0.00319606 0.000765728 0.0020091 22
6450 108 C 37.3404 29.015 35.3437 -0.00288622 -0.00236677 -0.00388885 22
6451 109 C 36.7374 28.3983 36.6537 -0.000459387 0.00254727 -0.00119765 22
6452 110 C 37.5112 28.8453 37.9016 -0.0011302 0.00364672 -0.00107739 22
6453 111 C 36.9618 28.1108 39.1671 0.00156239 -0.00434553 0.000584102 22
6454 112 C 37.9358 28.3289 40.3555 0.00126433 0.00198968 0.000103837 22
6455 113 C 37.4191 27.6505 41.6816 -0.000125456 0.00179517 0.000993698 22
6456 114 C 36.5034 28.5448 42.5019 -0.000691214 -0.00213371 -0.00439266 22
6457 115 C 36.6377 28.2506 44.026 0.000549459 -0.00139523 -0.00131342 22
6458 116 C 37.9502 28.7366 44.5743 -0.00170206 -0.00271599 0.00145277 22
6459 117 C 37.9879 28.72 46.0862 -0.00169155 -0.00238976 0.002342 22
6460 118 C 36.836 20.5079 34.4303 0.00123896 -0.00225946 -0.00271703 22
6461 119 C 36.7156 20.6578 35.9759 -0.00646903 -0.00261638 -0.000173081 22
6462 120 C 37.3491 19.4483 36.6555 0.00360703 0.000403236 0.00317692 22
6463 121 C 37.8326 19.7006 38.0991 -0.00220089 0.0013976 0.00100116 22
6464 122 C 36.7881 19.6472 39.231 0.00520992 -0.00168771 0.00528418 22
6465 123 C 37.5274 19.7369 40.6011 -0.00108454 0.00121915 0.00316689 22
6466 124 C 36.5714 19.645 41.8314 0.00124491 -4.41743e-05 -0.000545497 22
6467 125 C 37.3341 19.6687 43.2001 -0.00400508 0.000488617 0.000108548 22
6468 126 C 36.408 19.348 44.3904 0.00143839 0.00153357 -0.000274682 22
6469 127 C 37.169 19.1952 45.7535 -0.00183478 -0.000491271 0.00059127 22
6470 128 C 37.792 20.5087 46.2859 -0.00164319 -0.00246953 0.000383495 22
6471 129 C 38.665 20.2655 47.5291 0.000577971 0.00457911 -0.00302872 22
6472 130 F 38.2626 21.6524 26.1661 -0.00304302 -0.00272963 -0.00287917 22
6473 131 H 37.0195 28.1933 31.4999 -0.00430595 0.00127821 -0.00622438 22
6474 132 H 37.5126 27.8755 29.0838 0.00549743 0.00395454 -0.00145575 22
6475 133 H 36.7844 25.9257 27.9098 -0.0053592 -0.015722 -0.000708338 22
6476 134 H 30.3496 23.8226 30.7168 0.000120914 0.00594281 0.00362742 22
6477 135 H 30.7783 23.5877 28.4043 -0.00375994 0.0239797 0.00835685 22
6478 136 H 33.0873 23.4346 27.5221 0.00264138 -0.00811992 -0.000403031 22
6479 137 H 37.383 19.6216 32.2114 -0.00202481 -0.00381635 -0.00920286 22
6480 138 H 37.5727 19.505 29.7338 0.00251862 0.00590481 -0.00521106 22
6481 139 H 36.683 21.2671 28.3097 -0.00403391 0.00602149 0.000138312 22
6482 140 H 37.5619 25.4112 22.5966 -0.00110508 0.0139557 0.0166443 22
6483 141 H 35.9982 25.2959 24.5371 -0.00587216 -0.00579187 0.00123292 22
6484 142 H 37.7777 19.928 19.0298 0.000664114 0.00890552 0.00140045 22
6485 143 H 37.9802 19.9947 16.6319 -0.0162175 0.00321364 0.000409385 22
6486 144 H 38.7731 21.7458 20.4271 -0.00254626 -0.00695088 0.00383981 22
6487 145 H 44.9798 23.7095 20.0995 0.000639395 -0.0103473 0.000710227 22
6488 146 H 45.2764 24.1357 17.5452 0.00106963 -0.00460676 -0.00436026 22
6489 147 H 42.7187 23.4779 21.0146 0.0074015 -0.00570432 0.0038921 22
6490 148 H 38.0651 28.1012 19.1186 -0.00896501 -0.00520412 -0.00502647 22
6491 149 H 38.4009 28.1854 16.7471 0.00298357 -0.00995606 -0.0186694 22
6492 150 H 40.7902 23.881 15.7489 0.0118669 0.00083352 4.53876e-05 22
6493 151 H 38.976 26.2971 20.555 -0.00176617 0.0113469 -0.000782501 22
6494 152 H 34.7866 23.9247 32.7937 0.00780029 -0.00546235 0.00378671 22
6495 153 H 44.8631 23.2976 14.6078 -0.00836887 0.0107437 -0.0087713 22
6496 154 H 43.7335 22.1483 15.3303 0.00323779 0.00784463 0.0138872 22
6497 155 H 42.5845 24.3207 13.5014 -3.28865e-05 -0.000657174 -0.00717526 22
6498 156 H 41.9094 22.7387 14.0038 0.00256896 -0.000648075 0.00359195 22
6499 157 H 43.4541 21.5913 12.4223 -0.0149988 -0.00337259 -0.0247647 22
6500 158 H 44.2058 23.086 11.9603 0.0105199 -0.0180346 0.0123251 22
6501 159 H 41.6777 23.8657 11.424 0.00161142 0.00273149 0.00432114 22
6502 160 H 41.2527 22.2185 11.5819 0.00886698 -0.0148255 -0.00819997 22
6503 161 H 41.5317 22.6093 9.2886 -0.00562279 -0.0116018 0.0184487 22
6504 162 H 43.0285 21.8257 9.66105 -0.00298306 0.00188421 -0.0107747 22
6505 163 H 44.2325 23.8156 9.19908 -0.00367317 -0.00778444 0.0063261 22
6506 164 H 43.0381 24.84 10.0313 -0.00962848 0.00157282 -0.00284452 22
6507 165 H 43.1208 25.4405 7.72582 0.00397815 0.0026475 -0.002721 22
6508 166 H 41.5371 24.8561 8.15958 0.00869935 0.00250415 0.0044077 22
6509 167 H 41.8844 22.7159 7.01783 0.00165695 -0.000357892 -0.0142962 22
6510 168 H 43.6351 23.0086 6.86964 0.00237695 0.00184069 -0.0062448 22
6511 169 H 43.2075 24.8819 5.35306 0.00180678 0.00155338 0.00725913 22
6512 170 H 41.4967 24.5891 5.41105 -0.00276271 -0.00130239 0.00235197 22
6513 171 H 41.9118 22.2941 4.44872 0.00420328 -0.0018079 -0.00227736 22
6514 172 H 43.6557 22.5992 4.45997 -8.55845e-05 -0.00559562 -0.000505032 22
6515 173 H 41.5765 24.0742 2.65099 -0.0010876 2.74379e-05 0.00114589 22
6516 174 H 42.7212 22.8577 2.21192 -0.00183821 -0.0020833 0.00100141 22
6517 175 H 44.5912 24.3972 2.91998 0.00609746 0.00622005 0.00265866 22
6518 176 H 43.3207 25.6946 3.16733 0.00801473 0.00220082 -0.00316483 22
6519 177 H 43.5068 24.9992 1.56817 -0.00317895 -0.00291047 0.0010363 22
6520 178 H 38.8555 19.9044 14.3942 0.0131532 0.00382333 -0.0106875 22
6521 179 H 37.5958 21.2058 14.244 0.000669823 -0.00265583 0.000490814 22
6522 180 H 39.4376 22.3884 12.7971 0.00988053 -0.000605598 0.0296988 22
6523 181 H 40.119 20.7343 12.6957 -0.00694698 -0.0046793 -0.0164849 22
6524 182 H 37.7293 19.985 11.9415 -0.00601281 0.0018454 -0.00833974 22
6525 183 H 37.3285 21.6242 11.7111 -0.00396724 0.000260337 0.00284195 22
6526 184 H 39.3429 21.8157 10.0572 0.000443271 0.000459538 0.00288158 22
6527 185 H 39.6478 20.1229 10.3104 -0.00299484 -0.00534628 -0.00220053 22
6528 186 H 37.3692 19.5762 9.40177 -0.00796238 0.00728507 0.00867317 22
6529 187 H 37.0992 21.3402 9.15357 -0.00185026 0.00616008 0.0131011 22
6530 188 H 39.3968 19.8606 7.86778 0.004405 0.00453647 0.00269835 22
6531 189 H 37.7426 19.6878 7.25874 0.000677038 -0.00289662 0.00764751 22
6532 190 H 37.711 22.3282 7.16611 -0.0116064 -0.0108791 0.0110252 22
6533 191 H 39.486 22.1559 7.34723 0.0118859 -0.0125625 -0.0121855 22
6534 192 H 39.4229 20.6024 5.3575 -0.00602844 -0.00541694 -0.0214045 22
6535 193 H 37.6331 20.7306 5.2221 0.00384056 0.000565665 0.00218246 22
6536 194 H 37.8844 23.1589 4.67179 -0.0113575 -0.00589465 -0.02282 22
6537 195 H 39.6487 22.9452 4.5964 -0.000674446 0.00643479 -0.0024597 22
6538 196 H 37.5711 21.3345 3.0396 0.0064265 -0.00576332 0.0112403 22
6539 197 H 38.3599 22.6969 2.29968 -0.00214667 0.00827362 0.00721447 22
6540 198 H 40.5657 21.5983 2.47301 0.00352244 0.00318517 0.00727053 22
6541 199 H 39.9279 20.2578 3.34199 -0.0112374 -0.00404396 0.00141661 22
6542 200 H 40.2035 19.6383 0.952534 0.000825054 0.00145902 0.000848198 22
6543 201 H 38.4361 19.7303 1.26438 0.000423259 -0.00349662 0.022681 22
6544 202 H 39.3228 21.0558 0.415134 0.00956078 0.0050455 0.00489558 22
6545 203 H 41.5086 25.9409 15.0371 -0.00587475 -0.000683467 -0.000144103 22
6546 204 H 40.4044 25.1426 13.8739 -0.000700045 -0.00490265 0.000337344 22
6547 205 H 39.8622 27.667 13.1897 -0.000502271 -0.0101918 0.000508669 22
6548 206 H 41.4967 27.976 13.801 0.0046103 9.48585e-05 -0.000449981 22
6549 207 H 42.4155 26.3121 12.1645 0.00840939 0.00357651 0.00203067 22
6550 208 H 40.7735 26.0353 11.6261 -0.00632793 0.00347699 0.00222154 22
6551 209 H 40.5906 28.5721 11.0566 0.00265249 0.00568793 -0.00210514 22
6552 210 H 42.2818 28.7028 11.5339 -0.00551901 0.00205305 0.00434505 22
6553 211 H 42.8016 26.9673 9.74141 -0.00283765 -0.00855039 -0.0099372 22
6554 212 H 41.1554 27.2082 9.12597 0.00330666 -0.00330101 -0.00352012 22
6555 213 H 41.5773 29.6511 8.93459 0.00523888 0.0134335 0.00294458 22
6556 214 H 43.2469 29.3875 9.48904 -0.00035577 -0.00646553 0.00446566 22
6557 215 H 43.1288 29.7 7.02471 -0.00407149 -0.00572372 -0.0176637 22
6558 216 H 43.7833 28.1344 7.32624 -0.00212705 -0.00994201 0.0015207 22
6559 217 H 41.3627 27.1294 6.96575 -0.000838325 -0.00575233 -0.0186281 22
6560 218 H 40.9165 28.7575 6.5205 0.000709471 0.00570859 -0.0105886 22
6561 219 H 43.2394 27.2801 5.13908 0.00208524 0.00465029 0.00959464 22
6562 220 H 41.5425 26.902 4.64169 -0.00770982 0.00968519 -0.00351361 22
6563 221 H 41.2975 29.4337 4.19973 -0.00186752 -0.00961849 0.000769969 22
6564 222 H 42.9993 29.59 4.69751 0.00847279 -0.00397941 -0.0032636 22
6565 223 H 42.9549 29.6049 2.24668 -0.00440845 -0.000428125 0.0025894 22
6566 224 H 43.6954 28.1067 2.75318 0.00832331 0.0103245 0.00175683 22
6567 225 H 40.7272 28.4972 1.90849 -0.00345453 -0.00342984 0.0179467 22
6568 226 H 42.075 27.9461 0.891713 -0.013061 -0.00622158 -0.00128085 22
6569 227 H 41.5614 26.9356 2.29351 -0.00230758 0.00143821 0.0118469 22
6570 228 H 30.6017 25.2658 32.9553 0.00643018 0.00506278 -0.0123876 22
6571 229 H 30.2004 23.5483 32.5905 -0.0054051 -0.00213875 0.0133167 22
6572 230 H 30.7908 22.7973 34.8462 -0.00508007 0.00280071 0.0123024 22
6573 231 H 31.6903 24.3501 35.0647 -0.00423163 0.0102924 -0.00964197 22
6574 232 H 29.7839 25.584 35.3849 0.0101919 -0.00121418 0.0121245 22
6575 233 H 28.7507 24.472 34.5139 -0.00580627 0.0136086 0.0053653 22
6576 234 H 28.0511 24.5338 36.7447 0.00697384 0.00618003 0.00713281 22
6577 235 H 28.6749 22.9315 36.5412 -0.00122812 0.000679273 -0.00181171 22
6578 236 H 30.6873 23.4614 37.8121 -0.00366608 -0.00393275 0.0127214 22
6579 237 H 30.3209 25.1846 37.9196 -0.000895124 0.0053093 0.0125491 22
6580 238 H 28.4068 24.8097 39.3509 0.0059469 0.00542336 0.0035273 22
6581 239 H 28.4137 23.0854 39.0237 -0.014234 0.00405953 0.0113841 22
6582 240 H 30.391 22.7297 40.3132 0.00112001 0.000300121 -0.0144745 22
6583 241 H 30.7733 24.4591 40.3695 0.00430559 -0.0024902 -0.00541104 22
6584 242 H 28.7458 24.8755 41.6994 0.00973112 0.00292766 0.017948 22
6585 243 H 28.3069 23.2013 41.581 -0.00502342 0.00701852 0.0194735 22
6586 244 H 30.1938 22.4316 42.9159 0.00389485 0.00086536 -0.0014528 22
6587 245 H 30.9734 24.0433 42.8624 0.00456076 -0.0145588 -0.000292521 22
6588 246 H 29.1578 24.9932 44.2367 0.00711778 -0.00198922 0.0068225 22
6589 247 H 28.2559 23.4884 44.2478 -0.0090394 0.0187364 0.00801405 22
6590 248 H 30.0179 22.4834 45.7598 0.00527319 -0.00242592 -0.0071125 22
6591 249 H 31.0505 23.8534 45.4547 -0.000700886 0.00872216 -0.00120494 22
6592 250 H 28.2854 24.0695 46.8817 -0.00048605 -0.0226446 -0.0104653 22
6593 251 H 29.845 24.0911 47.7019 -0.0108926 -0.0103259 0.0039551 22
6594 252 H 29.3867 25.4042 46.5933 0.00627434 -0.00157475 0.00301239 22
6595 253 H 35.2227 28.3634 33.136 -0.000541902 0.000595673 0.00722091 22
6596 254 H 35.3468 27.4245 34.6721 0.00134388 0.0064696 -0.00138996 22
6597 255 H 37.879 27.2486 34.1999 0.00635595 0.00635362 -0.00785577 22
6598 256 H 37.6648 28.7829 33.3071 -0.0169517 6.96019e-05 -0.00601853 22
6599 257 H 38.3931 29.2427 35.552 -0.0037939 0.00715638 -0.0098164 22
6600 258 H 36.8779 29.9946 35.1712 -0.0110544 -0.00942617 -0.0220495 22
6601 259 H 35.6713 28.6468 36.725 -0.00229961 -0.00289363 -0.00967908 22
6602 260 H 36.8867 27.3172 36.5419 -0.0182604 -0.00227045 0.0224033 22
6603 261 H 38.5929 28.6832 37.818 -0.00282149 -0.00800385 -0.000139957 22
6604 262 H 37.4223 29.9306 38.0346 -0.014224 0.00152487 0.00743963 22
6605 263 H 35.9341 28.4032 39.4155 0.00453626 0.00724362 -0.00079184 22
6606 264 H 36.9419 27.0236 39.0221 -0.0136182 -0.00489529 0.00679736 22
6607 265 H 38.9148 27.8928 40.1215 0.00142308 0.00265829 -0.000469594 22
6608 266 H 37.9642 29.4132 40.5196 0.00787189 0.000921425 0.00587191 22
6609 267 H 36.9215 26.7045 41.4349 -0.00858233 0.00184462 0.0180093 22
6610 268 H 38.3151 27.3659 42.2469 0.000662593 0.00905655 0.0033969 22
6611 269 H 36.7247 29.6027 42.3139 -0.00563376 -0.00112409 -0.00451131 22
6612 270 H 35.4784 28.3169 42.1841 6.50871e-05 -0.00345136 -0.00589252 22
6613 271 H 35.7569 28.6426 44.5494 -0.000882157 0.00296122 -0.00698098 22
6614 272 H 36.6716 27.1688 44.2046 -0.000105764 0.000329043 0.00926952 22
6615 273 H 38.7596 28.1136 44.174 0.0062447 0.0123311 -0.00592739 22
6616 274 H 38.1485 29.7594 44.2307 0.00274932 -0.00101302 0.00908269 22
6617 275 H 37.7615 27.7394 46.5228 0.0019817 -0.000700043 0.00806195 22
6618 276 H 38.9862 29.0027 46.4425 -0.00141773 -0.0147886 0.01143 22
6619 277 H 37.2638 29.4506 46.4675 -0.00426366 -0.00530848 0.00305094 22
6620 278 H 36.3892 19.5752 34.0646 0.0119714 -0.00984577 0.00350954 22
6621 279 H 37.9167 20.428 34.2594 -0.00151542 -0.0170929 -0.0130634 22
6622 280 H 35.6803 20.6694 36.3384 -0.00542176 0.0179777 0.00211456 22
6623 281 H 37.28 21.5208 36.3503 -0.0114005 -0.00179345 0.00537885 22
6624 282 H 38.2395 19.1567 36.085 0.00264666 -0.00492973 0.00441105 22
6625 283 H 36.6653 18.5913 36.6932 -0.00313291 0.00560429 -0.00118884 22
6626 284 H 38.3393 20.6675 38.2069 0.0048635 -0.00255773 0.00332778 22
6627 285 H 38.6184 18.9668 38.3174 0.0023632 0.00710903 0.00380549 22
6628 286 H 36.2307 18.7067 39.141 0.00756328 -0.00277316 0.00203576 22
6629 287 H 36.0296 20.4325 39.1239 -0.000496153 -0.00603167 0.0137663 22
6630 288 H 38.0325 20.7103 40.6308 -0.00395261 0.00313363 -0.010525 22
6631 289 H 38.3306 18.9901 40.6232 0.000130193 0.00261253 0.00599324 22
6632 290 H 35.9139 18.7678 41.7899 -0.0121155 0.00974258 0.00373001 22
6633 291 H 35.8857 20.4997 41.7798 -0.00049507 -0.00126821 0.00232751 22
6634 292 H 37.755 20.6701 43.3535 -0.00261728 -0.00155824 0.00968254 22
6635 293 H 38.1634 18.9517 43.2387 -0.00343212 0.000932569 -0.00411931 22
6636 294 H 35.8816 18.4001 44.2241 -0.00448792 0.00535904 -0.00330014 22
6637 295 H 35.6478 20.1281 44.5208 0.00101571 -0.00112378 0.0132787 22
6638 296 H 38.0002 18.4944 45.6074 -0.00493095 -0.00264827 -0.00668187 22
6639 297 H 36.5377 18.718 46.5132 0.00898604 -0.00826576 0.0047252 22
6640 298 H 37.0193 21.2587 46.4951 -0.00327192 -0.004524 0.00170499 22
6641 299 H 38.4303 21.0116 45.5489 -0.00928012 0.00727058 0.000393014 22
6642 300 H 39.0736 21.2046 47.9223 0.0023515 5.55621e-05 0.00595207 22
6643 301 H 39.4928 19.5967 47.2629 0.0017206 0.00317182 0.00407304 22
6644 302 H 38.1176 19.8086 48.3627 0.0146422 -0.00290379 0.00212217 22
6645 1 C 40.7476 20.4871 31.0771 -0.00202743 0.000117374 -0.000643743 23
6646 2 C 40.7917 20.4285 29.6829 0.00183988 0.000773167 -0.00433265 23
6647 3 C 40.4099 19.2663 29.0331 3.90145e-05 0.000599129 0.000829393 23
6648 4 C 39.852 18.2014 29.7699 -0.00347643 -0.00322676 -0.000230491 23
6649 5 C 39.7027 18.2622 31.1768 0.000479954 -0.00279207 -0.00124697 23
6650 6 C 40.2025 19.4251 31.8596 -0.00511351 0.00148439 0.00103044 23
6651 7 C 35.2695 16.9599 30.6099 -0.000571255 0.0013276 -0.00117569 23
6652 8 C 35.4606 16.7919 29.2084 0.00116657 -0.00116671 0.00217875 23
6653 9 C 36.7492 16.8322 28.6948 -0.00205587 -0.00113496 0.00411071 23
6654 10 C 37.8067 16.9404 29.5778 -0.00361235 0.000674004 -0.00179197 23
6655 11 C 37.6353 16.9814 30.9937 2.94841e-05 -0.00226009 0.00180687 23
6656 12 C 36.3557 17.0598 31.5355 0.000573393 0.00176274 -0.00272273 23
6657 13 C 41.022 13.6653 31.3492 -0.00291375 -0.00106095 0.00123845 23
6658 14 C 41.0908 13.6539 29.9341 0.00375391 -0.00177353 -0.00300558 23
6659 15 C 40.614 14.7034 29.2166 0.00239501 0.00246203 -0.00216132 23
6660 16 C 39.9169 15.7181 29.8525 0.0032868 -0.000511718 -0.000779123 23
6661 17 C 39.2805 16.8838 29.1237 0.00199616 -0.00277043 -0.00417425 23
6662 18 O 40.2524 14.5794 33.3848 0.00239897 0.000608878 0.000108963 23
6663 19 O 36.1916 17.2824 32.8652 -0.00216943 -0.000371587 0.000634642 23
6664 20 O 40.1057 19.5974 33.2187 -0.00108389 -0.000883344 0.00423975 23
6665 21 C 40.3692 14.7239 32.0196 0.00135136 -0.000525895 -0.000180331 23
6666 22 C 39.4925 16.8387 27.6623 0.00285344 -0.00196755 0.00221603 23
6667 23 C 39.8604 16.9141 26.5115 0.000392502 0.0021517 -0.00205359 23
6668 24 C 40.5454 17.0043 25.2537 -0.00018729 0.00243201 -0.000964123 23
6669 25 C 40.3183 18.0423 24.3338 0.000705038 -0.00235939 -0.00491425 23
6670 26 C 41.1661 18.2532 23.2336 -0.0012283 0.00288694 0.00240134 23
6671 27 C 42.2203 17.3118 23.0262 -0.000189066 0.000605409 -0.000712864 23
6672 28 C 42.3926 16.2459 23.8853 0.00216584 0.000788654 -0.00234411 23
6673 29 C 41.5611 16.0503 25.009 0.00496619 0.00203718 0.00149353 23
6674 30 C 43.0662 17.316 21.8663 -0.00276605 -0.00381762 -0.000660406 23
6675 31 C 43.648 17.2995 20.7927 0.00116137 0.00168058 6.97404e-05 23
6676 32 C 42.5703 13.6584 18.7686 -0.000866762 -0.00134833 -0.000298862 23
6677 33 C 42.8895 13.5026 17.4016 0.000880981 -0.000523193 0.000343529 23
6678 34 C 43.545 14.5561 16.7162 0.00133506 -0.00058053 -0.00459842 23
6679 35 C 43.8332 15.7708 17.392 0.000747251 -0.00517927 -0.00343574 23
6680 36 C 43.547 15.9032 18.7462 0.00213749 -0.00334794 -0.00296817 23
6681 37 C 42.8318 14.8726 19.4155 -9.96442e-05 0.000726189 0.000797157 23
6682 38 C 44.0099 17.2286 19.3838 -0.00428309 0.0032368 -0.00188777 23
6683 39 C 47.9282 17.2854 19.4572 0.00406217 0.00422326 0.00114497 23
6684 40 C 48.1571 17.3014 18.0794 0.000635531 0.00568546 0.00308147 23
6685 41 C 47.0737 17.3141 17.1747 0.000912769 0.0026451 0.00174576 23
6686 42 C 45.7864 17.1953 17.6416 0.0012407 0.00197723 -0.00349459 23
6687 43 C 45.5233 17.2397 19.0259 0.00657008 -0.00103283 0.00275917 23
6688 44 C 46.6016 17.2965 19.9347 0.000335263 -0.00126677 0.00127594 23
6689 45 C 42.1185 20.3363 18.043 -0.000571986 -0.00579293 0.00155201 23
6690 46 C 42.3606 20.2008 16.6492 0.000593215 0.00402309 -0.00462481 23
6691 47 C 43.1302 19.142 16.1989 -0.00108496 0.000592021 0.000488751 23
6692 48 C 43.6693 18.2083 17.1226 -0.00141441 0.00408815 0.000470974 23
6693 49 C 44.5338 17.0115 16.8011 0.000830489 -0.000582514 0.00100898 23
6694 50 C 43.3545 18.3291 18.5067 0.000274504 0.00101249 -0.000993474 23
6695 51 C 42.6157 19.4548 18.9419 0.000420351 -0.000805965 -0.000493986 23
6696 52 O 47.3069 17.486 15.8644 -2.13863e-05 0.00134108 -0.00125918 23
6697 53 O 43.8416 14.472 15.3743 -0.00365058 -0.00046684 -0.00241819 23
6698 54 O 43.3803 18.9863 14.8752 -0.000517788 -0.000287494 0.000482514 23
6699 55 C 39.0025 17.006 31.7751 0.00142722 0.00175911 -0.000185715 23
6700 56 C 39.7957 15.7779 31.275 -0.00247646 0.00622083 0.000131386 23
6701 57 C 47.8348 16.4494 15.0657 -0.000990037 -0.00144154 0.00243286 23
6702 58 C 47.6261 16.8118 13.5958 0.000386918 -0.00303907 -0.00145206 23
6703 59 C 46.1321 17.0791 13.2046 -0.00337193 0.00205476 -0.000603872 23
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6705 61 C 46.4922 15.9624 10.9304 -0.000899445 0.00287311 0.00116675 23
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6763 119 C 40.6721 13.6473 35.7058 0.000787821 -0.00189703 0.00106546 23
6764 120 C 41.5922 12.6741 36.5099 0.000386231 0.00498426 0.00105125 23
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6766 122 C 40.9517 12.6685 38.9732 0.00141561 0.000754556 0.000956356 23
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6768 124 C 40.6082 12.8431 41.5611 -0.000676507 -0.000380057 0.00407222 23
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6770 126 C 40.4133 13.0891 44.1174 -0.00493611 -0.00321647 0.00415589 23
6771 127 C 40.9916 13.6287 45.4584 -0.00130242 -0.00144996 -0.00244119 23
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6926 282 H 42.5345 12.6019 35.9529 0.000552473 0.0150892 9.30838e-06 23
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6931 287 H 40.1048 13.3596 38.8812 -0.000814483 -0.00298073 -0.00632243 23
6932 288 H 41.95 13.971 40.3613 -0.00656711 -0.00124677 -3.77816e-05 23
6933 289 H 42.4268 12.2927 40.5463 0.000900346 -0.00290951 0.00202615 23
6934 290 H 40.1415 11.8509 41.5941 0.00674612 -0.00407007 -0.00191465 23
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6937 293 H 42.1739 12.4297 42.9996 -0.0146405 -0.00703308 0.0130776 23
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6940 296 H 40.1584 13.9763 46.0818 0.00338163 0.00523964 9.8346e-05 23
6941 297 H 41.5122 14.5616 45.2093 -0.00182505 0.00187563 0.00895214 23
6942 298 H 42.5488 13.2619 46.9443 -0.0111466 -0.0118255 0.0110968 23
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6948 2 C 44.855 27.3235 29.6923 -0.00082767 -0.00136619 0.00310326 24
6949 3 C 44.3974 26.1779 29.0353 -0.0025002 -0.00612893 0.00118519 24
6950 4 C 43.7633 25.1496 29.7781 -0.000801756 0.00415371 0.00217341 24
6951 5 C 43.5863 25.2574 31.1623 -0.00423798 0.00269496 0.000240018 24
6952 6 C 44.0472 26.4407 31.8377 0.00296933 0.00260706 0.000352922 24
6953 7 C 39.1521 23.9355 30.5633 -0.00111445 0.00425461 0.001388 24
6954 8 C 39.3811 23.8609 29.1754 -0.000948737 0.00258923 -0.00206046 24
6955 9 C 40.6734 23.7357 28.6746 0.00101477 -0.000138129 -0.00210918 24
6956 10 C 41.7534 23.8469 29.5479 0.00402717 -0.000589101 0.00461302 24
6957 11 C 41.5513 23.9828 30.9446 -0.00381705 -0.0010662 0.00368585 24
6958 12 C 40.2202 23.913 31.4826 0.00349623 0.00216126 0.00200092 24
6959 13 C 44.7396 20.6292 31.6443 0.00298479 0.00136438 0.000741609 24
6960 14 C 44.8945 20.495 30.2672 0.00493871 0.00653309 0.00233757 24
6961 15 C 44.4542 21.5111 29.406 0.000384868 0.00512863 0.00193236 24
6962 16 C 43.7421 22.6109 29.9458 -0.000265132 -0.000760135 -0.00040087 24
6963 17 C 43.2249 23.8372 29.1407 -0.00658904 -0.00427821 -0.0017843 24
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6967 21 C 44.0559 21.7276 32.2053 -0.00491578 0.00224996 -0.000347374 24
6968 22 C 43.6254 23.7518 27.7165 0.00173361 -0.0046486 -0.00303192 24
6969 23 C 44.1909 23.6871 26.6506 0.0024329 -0.00282504 -0.000334531 24
6970 24 C 44.9348 23.6444 25.4321 0.00444231 -0.00347064 -0.00142083 24
6971 25 C 46.0922 22.8282 25.3055 0.00330503 -0.00819773 0.00101513 24
6972 26 C 46.8935 22.8774 24.1635 0.00257441 -0.000133798 -0.00148312 24
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6974 28 C 45.4262 24.6425 23.2608 0.00147033 -0.000372785 0.00461333 24
6975 29 C 44.6446 24.5587 24.4291 -4.38073e-05 -0.000109936 0.00306593 24
6976 30 C 47.2793 23.8305 21.8843 -0.000426503 -0.00123784 0.000604889 24
6977 31 C 47.766 23.8409 20.7618 0.00188796 0.00271443 -0.00105377 24
6978 32 C 45.9954 20.6938 18.5084 -0.000639174 -0.000128663 -0.00232087 24
6979 33 C 46.0355 20.746 17.1002 -0.000806233 0.00150401 -0.00157601 24
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6982 36 C 47.3561 22.6587 18.6353 -0.00175947 3.62119e-05 0.00107121 24
6983 37 C 46.7158 21.5985 19.2604 -0.00125604 -0.00213044 -0.000818939 24
6984 38 C 48.0884 23.8408 19.3425 0.00431829 -0.000416489 0.00126028 24
6985 39 C 51.9323 23.5825 18.9839 -0.00487257 0.00187483 0.0028775 24
6986 40 C 52.0353 23.5759 17.5759 -0.00371081 -0.000637282 -0.00287858 24
6987 41 C 50.8816 23.5938 16.8009 0.000168751 -0.00116969 -0.00070412 24
6988 42 C 49.6423 23.6661 17.4467 -6.07917e-06 -0.000456072 -0.00179067 24
6989 43 C 49.5278 23.6592 18.8398 0.00576961 0.000102358 0.0015002 24
6990 44 C 50.6826 23.6836 19.6026 -0.000555768 -0.00431354 -0.00216219 24
6991 45 C 46.5595 27.3305 18.4627 -0.000807078 -0.00390649 -0.00204888 24
6992 46 C 46.7085 27.2512 17.0696 -0.00147171 0.000434456 0.00153469 24
6993 47 C 47.2863 26.152 16.4502 -0.00444209 -2.44835e-05 -0.00110091 24
6994 48 C 47.6729 25.0642 17.2257 0.00435368 -4.89189e-05 -0.00368909 24
6995 49 C 48.31 23.7937 16.6942 0.00143579 0.000801677 -0.000414105 24
6996 50 C 47.5196 25.0599 18.6196 0.00448322 -0.00134296 -0.0015227 24
6997 51 C 46.9931 26.225 19.2418 0.00156077 0.00100041 0.00132206 24
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6999 53 O 46.8925 21.8007 15.0719 0.00293651 0.00296287 0.00338344 24
7000 54 O 47.4274 26.1362 15.0724 0.000294535 -9.52055e-05 -0.000682148 24
7001 55 C 42.847 24.0166 31.7792 0.00237735 0.00243323 0.00147942 24
7002 56 C 43.5566 22.7138 31.3261 0.000819004 -0.00232405 -0.0026912 24
7003 57 C 51.7078 22.7039 14.7248 0.000961843 0.000416432 2.70411e-05 24
7004 58 C 50.8205 22.1538 13.5693 0.00899651 -0.00396233 -0.0002571 24
7005 59 C 50.3383 23.1339 12.4781 0.00164189 -0.00535985 -0.00220683 24
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7007 61 C 50.0211 23.3947 9.90954 -0.00102611 -0.00201751 0.00174747 24
7008 62 C 50.6 22.9263 8.53417 -0.000279883 0.00410955 -0.00723198 24
7009 63 C 49.8295 23.4635 7.33484 0.00259146 -0.00243204 0.00118481 24
7010 64 C 50.3804 22.8578 6.03726 -0.000143136 0.000993953 0.00127044 24
7011 65 C 49.7869 23.4312 4.75417 -0.0019147 0.000714718 0.00442727 24
7012 66 C 50.3046 22.7904 3.44731 -0.000105931 -0.00309333 -0.00104675 24
7013 67 C 49.9605 23.617 2.19871 0.000384904 0.00330066 0.000589951 24
7014 68 C 50.5082 23.0376 0.893521 -0.00019826 0.000400007 -0.000400389 24
7015 69 F 47.936 22.0271 24.0615 0.000830901 0.00129492 0.00275055 24
7016 70 C 46.5579 20.6335 14.2972 -0.000503516 -0.00478884 0.00221981 24
7017 71 C 47.214 20.6559 12.9402 -0.00125376 0.00117251 -0.000551805 24
7018 72 C 46.4155 21.2738 11.7926 0.00485805 0.00351639 0.000350278 24
7019 73 C 47.0627 20.9152 10.445 -0.00149684 0.00741183 0.00084978 24
7020 74 C 46.3039 21.444 9.22174 -0.00291585 0.000659859 0.00294336 24
7021 75 C 46.8903 20.8279 7.9364 -0.00109828 0.00241078 -0.00162619 24
7022 76 C 46.2963 21.3983 6.61755 0.00111956 0.00137312 -0.00226037 24
7023 77 C 46.9494 20.6501 5.43368 -0.00221025 -0.00144637 0.00477331 24
7024 78 C 46.1958 20.6813 4.09412 -0.000481787 -0.00290977 0.00456678 24
7025 79 C 46.3784 22.0165 3.35299 0.000869321 0.00251368 -0.00184518 24
7026 80 C 45.6163 22.0312 1.98806 0.000806423 -0.00133567 0.000332309 24
7027 81 C 46.2264 21.1161 0.938774 0.000873441 -0.00236615 0.000453531 24
7028 82 C 48.5632 26.8853 14.5844 -0.00291189 0.00119135 -9.24403e-05 24
7029 83 C 48.5642 26.72 13.0669 0.00343798 0.00111129 -0.00329061 24
7030 84 C 49.4225 27.8059 12.4081 0.00597948 -0.00165333 -0.00102361 24
7031 85 C 49.3252 27.7249 10.8812 -0.00124415 -0.00252188 0.00188365 24
7032 86 C 50.3566 28.5206 10.1108 -0.00363002 -0.00261389 -0.0024944 24
7033 87 C 50.061 28.641 8.60022 -0.00200686 -0.00203153 -0.00167094 24
7034 88 C 49.7515 27.2949 7.93637 0.004819 -0.000751812 0.00204024 24
7035 89 C 49.4941 27.4163 6.42923 0.00498401 0.000113449 -0.00119025 24
7036 90 C 50.7029 27.9601 5.5822 8.9388e-05 0.000721082 0.00178801 24
7037 91 C 50.653 27.5566 4.0873 0.00362847 0.00155446 0.00283036 24
7038 92 C 49.6502 28.3546 3.23795 0.0012153 -6.65462e-05 4.27784e-05 24
7039 93 C 49.9159 28.0048 1.76067 0.00090287 0.00207866 -0.000347519 24
7040 94 C 38.622 24.1839 33.3554 0.00124303 0.00176084 6.96905e-05 24
7041 95 C 38.4467 23.9823 34.8897 -0.00218861 -0.00303426 -0.00261748 24
7042 96 C 37.0476 24.4416 35.3434 0.000358391 -0.00136464 0.00193879 24
7043 97 C 36.5703 24.0896 36.7942 -0.00291376 -0.00110925 0.00243311 24
7044 98 C 37.6134 24.1713 37.9261 0.000235128 -0.00230025 -0.00391348 24
7045 99 C 36.9886 23.7732 39.3005 1.10117e-05 -0.00498379 0.0045517 24
7046 100 C 37.816 24.0225 40.5601 0.00318394 -0.00197761 0.00101872 24
7047 101 C 37.0724 23.5971 41.8338 -0.00399334 0.0045316 0.00346298 24
7048 102 C 37.7656 23.9477 43.1708 -0.00186162 -0.000759058 0.00226875 24
7049 103 C 36.9421 23.487 44.395 -0.000912042 0.00131947 -0.00308552 24
7050 104 C 37.3794 24.1464 45.7465 0.00182767 -0.00132696 -0.00580519 24
7051 105 C 38.8146 24.0109 46.2229 0.0024314 0.00228071 0.00125552 24
7052 106 C 44.1804 27.7793 33.9587 0.00196041 -0.00398305 0.00028107 24
7053 107 C 44.7919 27.4684 35.3744 -0.000775098 0.00287488 -0.0049685 24
7054 108 C 44.736 28.6425 36.4095 0.00355297 -0.00205 -5.90794e-05 24
7055 109 C 45.6129 28.2903 37.586 -0.00155146 0.00186527 0.00240273 24
7056 110 C 45.5688 29.2721 38.7307 -0.00579252 -0.00104244 -0.000270965 24
7057 111 C 44.5392 29.0258 39.8607 0.00169406 0.000325256 0.00249991 24
7058 112 C 45.0361 28.1667 41.0521 0.00058324 -0.00167452 0.00292428 24
7059 113 C 45.9455 28.97 41.9739 0.00229475 0.00251907 0.000860313 24
7060 114 C 45.2744 29.3304 43.3435 0.00146098 0.00223677 0.00266297 24
7061 115 C 45.3773 28.1762 44.3686 -0.00262855 0.000898856 0.000840553 24
7062 116 C 44.722 28.5466 45.7049 -0.00634027 0.00436179 0.00261295 24
7063 117 C 45.1128 27.5582 46.8255 -0.00166975 0.000765243 0.00188998 24
7064 118 C 44.7747 21.2373 34.5491 0.000708411 0.000177593 -0.00448929 24
7065 119 C 44.2896 19.859 35.0112 0.00158417 -0.00301183 0.000319703 24
7066 120 C 45.1645 19.2211 36.0888 -0.00315066 -0.0036292 4.73376e-05 24
7067 121 C 44.9732 19.7682 37.4928 0.000702032 -0.00293384 -0.00290567 24
7068 122 C 46.2045 19.4468 38.404 0.000290516 0.00137619 0.000850169 24
7069 123 C 46.0217 19.9646 39.8324 0.00135189 -1.1425e-05 0.0028672 24
7070 124 C 45.2825 18.9566 40.7239 0.00254103 0.00116919 0.000438302 24
7071 125 C 44.7908 19.5497 42.0464 -0.000489834 0.000362657 0.00201401 24
7072 126 C 45.7657 19.4333 43.2332 0.00039398 -0.00466011 0.000448147 24
7073 127 C 45.0507 19.8147 44.5552 -0.00246572 -0.00522958 0.00120617 24
7074 128 C 45.9265 19.6073 45.8311 0.000487595 -0.0044539 -0.00329165 24
7075 129 C 45.1397 20.0264 47.079 0.0033911 0.000585703 -0.00145157 24
7076 130 F 46.4046 21.9784 26.2906 -0.00155441 3.34009e-06 -0.000857462 24
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7078 132 H 45.3702 28.0792 29.1068 -0.00519621 0.00629158 0.00916558 24
7079 133 H 44.546 26.0706 27.9648 0.00271159 -0.00199609 0.00150353 24
7080 134 H 38.1181 23.9951 30.8898 0.000122594 0.00931041 0.00438026 24
7081 135 H 38.5201 23.9376 28.5179 -0.00946885 -0.00118726 0.00863034 24
7082 136 H 40.8152 23.6327 27.6028 0.00197628 0.00465963 -0.0024421 24
7083 137 H 45.1205 19.8618 32.3117 -0.0105625 -0.00030966 0.00657673 24
7084 138 H 45.3289 19.6024 29.8268 -0.0152056 0.00796876 -0.020534 24
7085 139 H 44.6178 21.3526 28.3442 0.00872905 0.0287661 -0.000269498 24
7086 140 H 45.2026 25.3448 22.4631 -0.0144076 -0.00211246 0.00756698 24
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7089 143 H 45.4301 20.0472 16.5304 0.00726562 -0.00834434 0.00194951 24
7090 144 H 46.6583 21.5287 20.3427 -0.0107962 0.0072292 -0.00071717 24
7091 145 H 52.8121 23.6368 19.6183 -0.00580314 0.0124275 0.00328588 24
7092 146 H 53.0248 23.5242 17.1315 0.00143556 -0.00691388 0.00924624 24
7093 147 H 50.5972 23.7778 20.6811 -0.000641827 -0.00328294 -0.00225866 24
7094 148 H 46.1277 28.2335 18.8841 -0.00479355 -0.00282895 -0.00840976 24
7095 149 H 46.303 28.0669 16.4783 0.000573197 -0.00643258 -0.00931698 24
7096 150 H 48.4241 23.8358 15.604 0.0110971 0.00753895 0.000843186 24
7097 151 H 46.9053 26.2938 20.3221 0.00355966 0.0155893 0.000559243 24
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7100 154 H 52.0153 21.9116 15.4185 -0.00154423 0.0170949 0.0202463 24
7101 155 H 49.9041 21.7131 13.981 0.00272897 -0.00153897 -0.0115657 24
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7260 12 C -2.84786 30.7908 31.2295 0.00539784 -0.00361247 0.00523286 25
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7363 115 C 2.51814 34.5989 43.9609 0.0020106 0.000543065 2.11177e-05 25
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7372 124 C 1.69673 26.108 41.0701 -0.00503142 -0.00028765 0.00051131 25
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7374 126 C 2.79945 26.9536 43.1402 0.00106869 -0.00203458 0.00129863 25
7375 127 C 2.68469 25.5832 43.8886 -0.00116748 0.00451981 -0.000516192 25
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7553 3 C 5.50706 39.7663 28.9211 -0.000158761 0.00173405 -0.000615747 26
7554 4 C 4.85597 38.6821 29.546 -0.000387545 -0.00130063 0.00283225 26
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7574 24 C 6.12497 37.2414 25.1249 -0.00202169 -0.00187765 -0.00163456 26
7575 25 C 7.39557 36.6052 25.0545 -0.00355374 0.00313655 -0.00115221 26
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7578 28 C 6.36551 37.9545 22.8576 0.00331453 -0.000931408 0.00226618 26
7579 29 C 5.60638 37.8915 24.018 0.000994023 -0.00501926 -0.00365917 26
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7584 34 C 7.8926 35.1905 16.0475 0.00352223 -0.000734131 0.000394648 26
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7588 38 C 9.00498 37.332 18.9819 -0.0023848 -0.00209695 0.00131053 26
7589 39 C 12.8941 37.4588 18.9323 0.00213861 -0.0019461 0.000323068 26
7590 40 C 13.0312 37.4358 17.52 -0.00354039 -0.00310877 -0.00177463 26
7591 41 C 11.9506 37.2914 16.6529 -0.000662633 -0.00344054 0.00055068 26
7592 42 C 10.7006 37.2334 17.2364 -0.000104652 -0.00115034 -0.00223369 26
7593 43 C 10.5039 37.2622 18.6148 -0.000117453 -0.00408055 0.00124713 26
7594 44 C 11.6204 37.3712 19.501 -0.00233072 -0.00278378 0.000275609 26
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7596 46 C 7.98799 40.852 16.6893 0.00302732 -0.00385606 -0.00206199 26
7597 47 C 8.67633 39.7955 16.0997 -0.00230419 0.00110124 -0.000170092 26
7598 48 C 8.83914 38.6235 16.8442 0.00410527 -0.00280123 0.00124674 26
7599 49 C 9.45383 37.2951 16.3904 -0.00197307 0.000152536 0.00143284 26
7600 50 C 8.5483 38.6292 18.23 -0.00274994 0.00044282 0.0016405 26
7601 51 C 7.94023 39.7342 18.8562 0.000613268 0.00128888 -0.00151287 26
7602 52 O 12.1165 37.2373 15.2605 -0.00267688 0.000796386 -3.46528e-05 26
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7604 54 O 9.10706 40.0723 14.8131 -0.00187025 0.00173314 -0.00240998 26
7605 55 C 3.84353 37.4704 31.4295 0.0048151 -0.000925858 -0.00255726 26
7606 56 C 4.71815 36.2705 31.0256 0.00267572 0.000207705 0.00205144 26
7607 57 C 12.1684 35.9218 14.6725 -0.000854141 0.00251121 -0.000799792 26
7608 58 C 11.1568 35.9064 13.4935 -0.000484289 -0.00135188 0.00323064 26
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7854 2 C 9.90339 33.7892 29.7278 -0.00282974 -0.000505136 -0.00324341 27
7855 3 C 9.42737 32.5996 29.1614 -0.00125173 0.000115324 -0.00189915 27
7856 4 C 8.72115 31.6911 29.9583 -0.00167045 0.00112507 -0.0013705 27
7857 5 C 8.531 31.8562 31.3497 0.00518787 -0.000778032 -0.00044969 27
7858 6 C 9.00866 33.0467 31.9289 -0.000647439 0.00471113 0.00501453 27
7859 7 C 3.99975 30.7806 30.7796 -0.00303037 -0.00523396 0.00314881 27
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7862 10 C 6.61916 30.4976 29.8274 -0.000329222 -0.00336543 0.000588322 27
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7865 13 C 9.48447 27.1931 31.8692 -0.000966479 0.00231587 -0.00504413 27
7866 14 C 9.56032 27.0441 30.4731 0.00112559 -0.000296843 -0.00180396 27
7867 15 C 9.17281 28.0827 29.6976 0.000494276 -0.00159496 -0.000401557 27
7868 16 C 8.58619 29.2405 30.2353 -0.00185295 -0.000658549 0.00210937 27
7869 17 C 8.07784 30.4159 29.3823 -0.00472697 0.00137505 -7.65629e-05 27
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7872 20 O 8.81928 33.3382 33.3043 0.00155555 -0.000277331 0.00163218 27
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7874 22 C 8.32915 30.2589 27.9673 -0.00259069 -0.00323539 -0.00136808 27
7875 23 C 8.74548 30.1735 26.8115 -0.00089872 0.00100018 0.00161943 27
7876 24 C 9.38711 30.1493 25.5176 0.00132554 0.00308593 0.00229895 27
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7878 26 C 10.8796 29.0584 23.8697 -0.00259354 -0.000230767 0.00326023 27
7879 27 C 11.1659 30.3179 23.3261 -0.00100602 -0.000637742 0.00219562 27
7880 28 C 10.5384 31.4541 23.8455 -0.00310823 0.00141816 -0.00237789 27
7881 29 C 9.66916 31.3786 24.9186 0.000622857 -0.00137098 -0.00333301 27
7882 30 C 12.001 30.4582 22.1665 -0.00239625 0.00192497 0.000952224 27
7883 31 C 12.5427 30.5635 21.0965 -0.00132628 0.00245783 0.00281091 27
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7885 33 C 11.5986 27.2917 17.2095 0.000124128 0.00246698 -0.000885714 27
7886 34 C 12.2729 28.4038 16.6539 0.00295335 0.00538888 0.00337993 27
7887 35 C 12.5826 29.4961 17.4844 -0.00115563 -0.00198836 0.0012758 27
7888 36 C 12.3493 29.455 18.8746 0.000374274 0.00406295 0.00178643 27
7889 37 C 11.7182 28.3227 19.3953 0.00187166 -0.00236185 0.00109563 27
7890 38 C 12.8949 30.6388 19.6799 0.000748601 0.000857443 -0.000677118 27
7891 39 C 16.8018 30.814 19.6484 -0.00229624 -0.00135134 -0.00299694 27
7892 40 C 16.9955 31.0136 18.2701 0.00534796 -0.00159531 0.00215953 27
7893 41 C 15.8795 31.0116 17.4004 0.00158138 0.00164601 -0.0017031 27
7894 42 C 14.5561 30.8689 17.9055 0.000496831 -0.00177623 -0.00155266 27
7895 43 C 14.3611 30.796 19.3122 -0.00520829 -3.7248e-05 0.00105038 27
7896 44 C 15.4971 30.7244 20.1691 0.000529878 0.00106861 0.00148613 27
7897 45 C 10.7811 33.7561 18.821 -0.00206758 -0.000318645 -0.00175547 27
7898 46 C 10.9529 33.7291 17.4353 -0.000320441 -0.00211083 -0.00152492 27
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7901 49 C 13.2963 30.7578 17.0495 0.00132712 -0.00126552 0.000848672 27
7902 50 C 12.1615 31.7907 18.9924 -0.000210614 0.00191625 0.00204857 27
7903 51 C 11.3832 32.7963 19.5981 -0.00126973 7.16547e-05 0.000683546 27
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7908 56 C 8.42487 29.3625 31.6175 -0.00490078 -0.00113668 0.00335033 27
7909 57 C 16.3801 30.1736 15.2265 -0.000200793 -0.00137315 0.0025519 27
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7914 62 C 15.2613 29.6793 9.49357 -0.000389424 -0.00557207 0.00299122 27
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7920 68 C 13.8507 29.446 2.38184 0.00223779 0.00093767 -0.00177208 27
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7925 73 C 14.1236 25.354 11.5528 -0.000423071 0.00295392 -0.00012059 27
7926 74 C 14.9201 25.7021 10.3145 0.00540331 -0.00517681 0.00235369 27
7927 75 C 14.3273 25.076 9.04444 0.00290206 -0.00207396 0.000448048 27
7928 76 C 14.8601 25.5974 7.69073 0.00172753 -0.00226415 -0.00254489 27
7929 77 C 14.1081 25.0975 6.43248 -0.00150457 -0.000334152 0.00226955 27
7930 78 C 14.6174 25.7436 5.1203 -0.00160703 0.00310503 0.00132563 27
7931 79 C 13.7359 25.4218 3.90322 -0.000108007 0.000660268 0.00464069 27
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7934 82 C 10.9966 32.2983 14.5246 -0.00200687 0.000342709 0.000728408 27
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7936 84 C 10.6266 32.1047 11.9775 -0.00203291 0.00376016 -0.000909992 27
7937 85 C 11.292 32.3432 10.6364 0.000307268 0.0020398 0.00455553 27
7938 86 C 10.261 32.6955 9.564 0.00205957 -0.00157985 0.00530893 27
7939 87 C 10.7456 32.8492 8.11679 -0.00111071 0.00554386 -0.000378048 27
7940 88 C 10.8993 31.4958 7.43776 0.000620649 -0.00158245 0.000564232 27
7941 89 C 11.242 31.5118 5.96225 0.00306464 0.00186462 0.000916864 27
7942 90 C 10.2219 32.2613 5.10624 -0.00141353 0.00448186 0.00212322 27
7943 91 C 10.3423 31.9029 3.62641 0.00328663 0.00433774 -2.53502e-05 27
7944 92 C 11.542 32.5682 2.93988 -0.00307209 -0.00370792 -0.00121006 27
7945 93 C 11.6455 32.0138 1.50101 -0.00320933 0.00053536 -0.00167563 27
7946 94 C 3.52115 31.5163 33.5162 -0.00308834 -0.00101598 -0.00297936 27
7947 95 C 3.33625 31.197 35.005 -0.000875212 -0.00193771 -0.00147514 27
7948 96 C 1.92685 31.4721 35.5226 -0.00160449 0.00161305 0.000349787 27
7949 97 C 1.62015 30.7396 36.8272 0.0024835 0.00124335 -0.000378473 27
7950 98 C 2.474 31.2454 37.9965 0.00587474 0.000944494 0.000921042 27
7951 99 C 1.96272 30.6916 39.3208 -0.00010812 0.000238387 -0.00127382 27
7952 100 C 2.75109 31.0888 40.5828 0.00076341 4.57738e-05 -0.0052878 27
7953 101 C 1.93141 30.6827 41.7951 -0.000648645 0.0038093 8.15547e-05 27
7954 102 C 2.57048 30.8065 43.1855 0.00234333 0.00176955 0.00375578 27
7955 103 C 1.5052 30.6348 44.2924 -0.00266563 -0.00709799 0.0037078 27
7956 104 C 2.00668 30.5595 45.7671 0.00309453 -0.000402661 0.00198813 27
7957 105 C 0.839436 30.2796 46.7024 0.00421249 -0.00191946 -0.00129537 27
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7959 107 C 9.2171 34.8324 35.2508 -0.00141104 0.00455765 0.00160951 27
7960 108 C 10.3764 35.6907 35.8965 -0.000627943 -0.00083322 0.00605391 27
7961 109 C 10.0735 36.0766 37.3641 0.00207734 -0.00295933 0.000569709 27
7962 110 C 10.3007 34.8598 38.2858 0.00665726 -0.00515542 0.000750585 27
7963 111 C 10.5878 35.1801 39.7797 -0.000912466 -0.000394134 0.000344188 27
7964 112 C 9.48183 36.0531 40.4187 -0.00598798 1.39136e-05 -0.00618705 27
7965 113 C 9.72695 36.3633 41.8994 0.000630535 0.00142042 -0.000766671 27
7966 114 C 9.38314 35.157 42.78 0.00311647 0.00576675 0.0055904 27
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7968 116 C 10.8586 35.7056 44.8014 -0.00343306 -0.00214184 0.00126655 27
7969 117 C 10.8474 36.0156 46.3154 -0.00383595 0.00185211 4.40071e-05 27
7970 118 C 9.39077 27.2305 34.654 0.000548474 0.00176326 0.000812322 27
7971 119 C 8.98889 27.3756 36.1448 2.52871e-05 -0.00386474 -0.00046693 27
7972 120 C 9.55893 26.1948 36.962 0.000179498 0.00130345 -0.00382224 27
7973 121 C 8.74555 25.9095 38.2599 0.00185924 0.00196881 0.00321358 27
7974 122 C 8.91285 26.9788 39.361 0.00178983 0.000390041 0.00359511 27
7975 123 C 10.0698 26.7748 40.3412 -0.000486482 -0.00834018 0.0064024 27
7976 124 C 9.75708 25.8878 41.5755 -0.000633264 -0.00124382 -0.00278272 27
7977 125 C 10.2764 26.4472 42.9349 -0.00152297 -0.00468897 -0.00218572 27
7978 126 C 9.73578 25.6364 44.1276 -0.000115414 0.00360268 0.000301183 27
7979 127 C 10.1683 26.2898 45.4758 -0.00334752 0.0028949 0.00155038 27
7980 128 C 9.56832 25.6125 46.7372 -0.00026548 0.00265417 0.00123791 27
7981 129 C 10.2353 24.2706 47.0428 0.001243 -0.000148767 0.00382522 27
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8195 41 C 19.6984 37.4971 17.0218 -0.00181931 -0.00163594 -0.00654135 28
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8217 63 C 18.486 37.6115 7.72615 7.76389e-05 0.000629264 0.00492618 28
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8231 77 C 15.0464 35.5883 5.14419 -0.0015521 0.00182724 0.00242154 28
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8237 83 C 17.0755 39.9177 13.2032 0.00463864 1.57554e-05 0.000132514 28
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8239 85 C 18.2281 41.7757 11.8464 -0.00137348 0.00166715 0.000227397 28
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8241 87 C 18.4164 41.3828 9.32466 0.00183147 -0.0042125 0.00134757 28
8242 88 C 19.0295 41.91 7.98954 -0.00255824 -0.000784818 -0.00355202 28
8243 89 C 18.3405 41.3001 6.74429 0.00615938 0.00246182 0.000152637 28
8244 90 C 18.7961 41.9434 5.42338 0.000592876 0.00190467 -0.00237709 28
8245 91 C 17.9729 41.4542 4.20968 -0.00185273 0.00604929 -0.00129052 28
8246 92 C 18.511 42.1555 2.91058 -0.00012727 0.000603393 -0.000331342 28
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8249 95 C 7.69047 37.9916 35.0833 -0.00144466 0.00180092 -0.000319134 28
8250 96 C 6.47418 37.617 36.0027 0.00532244 0.00241781 0.00117584 28
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8252 98 C 6.10913 37.4508 38.5482 0.000373988 -0.00272336 0.00168508 28
8253 99 C 6.08488 38.1803 39.9157 0.001217 0.000996712 -0.00222979 28
8254 100 C 5.7262 37.2825 41.104 0.0053021 -0.00118118 -0.00579959 28
8255 101 C 5.93751 37.9381 42.4852 -0.00353286 -0.00180669 -0.00203787 28
8256 102 C 5.58823 36.9258 43.5996 -0.00158544 0.00124686 2.88074e-05 28
8257 103 C 5.99316 37.4202 45.0035 0.00260048 0.000780056 4.49665e-06 28
8258 104 C 5.56093 36.4387 46.1191 0.00324072 0.000544619 -0.000387797 28
8259 105 C 6.61587 36.2396 47.2417 -0.00213345 0.000227446 -0.000628883 28
8260 106 C 13.8205 40.0843 34.4003 0.00354728 0.00124573 0.00524701 28
8261 107 C 13.5086 41.4196 35.0793 0.000688777 -0.00109635 0.00588115 28
8262 108 C 14.1995 41.5072 36.4868 0.000121346 0.0015029 -0.00020641 28
8263 109 C 13.5972 42.5775 37.4095 0.00220011 -0.00126358 -0.00280019 28
8264 110 C 14.1379 42.6245 38.8488 0.000594707 0.00241822 0.00269799 28
8265 111 C 13.9019 41.4158 39.7504 -0.000460209 0.000130719 0.0010328 28
8266 112 C 13.1509 41.729 41.0672 0.00309265 -0.00159779 0.00206151 28
8267 113 C 14.0011 42.3601 42.1956 0.0041142 -0.00152699 -0.000462957 28
8268 114 C 13.355 42.2304 43.5746 -7.52751e-05 0.000132736 -0.0014876 28
8269 115 C 14.2804 42.5824 44.7226 0.0020948 -0.00346565 -0.00394344 28
8270 116 C 13.6112 42.5119 46.1283 -0.000652934 -7.40819e-05 0.00333234 28
8271 117 C 14.6153 42.8075 47.2289 0.00168732 0.000216798 0.00271747 28
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8273 119 C 13.8436 33.1288 34.4313 -0.000771881 -0.00108202 0.00011323 28
8274 120 C 13.6106 33.0512 35.9517 0.00429971 -0.000361747 -0.00137337 28
8275 121 C 14.5456 32.1515 36.6985 -0.00254311 -0.00336602 -0.000810584 28
8276 122 C 14.2399 31.9509 38.1947 0.00189079 -0.000674342 0.00127959 28
8277 123 C 14.2834 33.2563 39.0519 -0.00124725 -0.00609723 0.00277061 28
8278 124 C 14.1977 32.8135 40.5246 0.000820398 -0.00238707 0.00424981 28
8279 125 C 14.2631 33.9961 41.5034 -0.000547131 -0.00549722 0.00200463 28
8280 126 C 14.3614 33.5035 42.9643 -0.000319101 -0.00229034 -0.00309294 28
8281 127 C 14.4436 34.6899 43.9721 0.00348347 0.00263354 0.00232564 28
8282 128 C 14.7703 34.3017 45.4325 -0.00249527 0.00259158 0.00505072 28
8283 129 C 13.7224 33.3986 46.1576 -0.000686789 -0.00393992 -0.00389189 28
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8291 137 H 14.0216 33.1281 31.7008 -0.0132803 -0.00418 -0.00889286 28
8292 138 H 14.3133 33.3449 29.2659 -0.00488604 -0.00154198 0.00116774 28
8293 139 H 13.3353 35.1927 28.0022 -0.00330431 0.00124894 -0.00103631 28
8294 140 H 15.3465 35.3498 23.5674 -0.00161305 -0.0025839 -0.00365606 28
8295 141 H 13.652 35.3318 25.3944 0.008121 0.00477379 0.00465115 28
8296 142 H 14.0625 33.6237 18.9168 -0.00743562 0.00694812 0.000888267 28
8297 143 H 14.3736 33.6666 16.4181 -0.000511604 -0.00342234 0.00988818 28
8298 144 H 15.1628 35.2696 20.3507 0.000943095 -0.00474761 0.000309896 28
8299 145 H 21.6138 37.6082 19.8483 -0.00435303 -0.00821944 0.0128573 28
8300 146 H 21.7902 37.7125 17.344 -0.00508332 -0.000838285 -0.00669131 28
8301 147 H 19.4107 37.6021 20.9097 -0.0059709 0.00275638 0.000249939 28
8302 148 H 14.7828 41.7677 19.1917 0.00837103 -0.00509924 0.00840205 28
8303 149 H 15.0345 41.7299 16.6825 -0.00586263 0.0132259 0.0225238 28
8304 150 H 17.2166 37.4621 15.7727 -0.00529708 0.000824038 -0.00334721 28
8305 151 H 15.5062 39.8403 20.5241 0.00217566 -0.00439994 0.00209747 28
8306 152 H 11.6387 37.2679 32.9101 -0.00986722 0.000288221 0.000500968 28
8307 153 H 21.3368 36.5683 14.5833 0.00207464 -0.00817647 0.00449161 28
8308 154 H 20.6466 35.6234 15.8396 0.0123891 0.00909793 0.00506165 28
8309 155 H 18.4788 35.5148 14.4411 -0.00301055 -0.016656 -0.0104284 28
8310 156 H 19.9102 34.761 13.7024 0.00511419 0.00353034 0.0134588 28
8311 157 H 20.3121 37.0682 12.5173 -0.000833516 -0.00739085 -0.00426715 28
8312 158 H 18.6882 37.545 13.0422 0.00298658 0.00272352 0.00768973 28
8313 159 H 18.0401 35.3497 11.5233 -0.00387367 0.00420174 -0.00396699 28
8314 160 H 19.6336 35.3938 10.9694 -0.000839109 0.0043323 -0.0132363 28
8315 161 H 19.2989 37.9901 10.429 -0.00379662 0.0035692 0.00288051 28
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8317 163 H 17.8463 35.8703 8.77137 -0.00577018 0.0111514 -0.0138578 28
8318 164 H 19.6143 36.0848 8.75567 -0.00381426 -0.00816581 0.00345778 28
8319 165 H 19.2378 38.3928 7.89272 -0.00787982 0.00765689 0.00791391 28
8320 166 H 17.5184 38.1259 7.77486 0.000323586 0.000248355 0.0139714 28
8321 167 H 17.9647 36.0873 6.28186 0.00775062 -0.00759128 -0.0176821 28
8322 168 H 19.6644 36.5087 6.20632 0.00463633 0.010444 0.00690457 28
8323 169 H 19.1584 38.683 5.09185 -0.00375815 -0.000604663 0.00505123 28
8324 170 H 17.4312 38.3475 5.21568 -0.00828133 -0.0149527 -0.00428567 28
8325 171 H 17.7887 36.3378 3.74744 0.00810713 -0.00524562 0.00806049 28
8326 172 H 19.5196 36.649 3.70044 -0.0084747 -0.0100206 -0.0041477 28
8327 173 H 19.1127 38.8096 2.59997 -0.00193441 0.00767265 0.0131582 28
8328 174 H 17.3506 38.5064 2.72423 -0.00138139 -0.0138979 0.014596 28
8329 175 H 17.4806 36.6456 1.14482 -0.00425483 -0.00189111 -0.000474187 28
8330 176 H 19.2631 36.6459 1.22214 -0.0038437 0.00298256 -0.0155014 28
8331 177 H 18.4298 37.993 0.440548 0.00924143 -0.00630292 -0.00184826 28
8332 178 H 16.4555 33.926 14.091 0.0137349 0.0169699 -0.00993134 28
8333 179 H 14.6812 34.0881 14.2164 -0.00181218 0.000692939 0.0138962 28
8334 180 H 14.6733 36.145 12.8426 0.00168865 0.00377402 0.0056601 28
8335 181 H 16.3805 36.0081 12.6095 0.00247451 -0.00840737 -0.00281201 28
8336 182 H 16.0598 33.7243 11.4582 -0.00276141 6.34561e-05 0.00872316 28
8337 183 H 14.3083 33.875 11.6442 -9.22173e-05 -0.00127228 -0.00089009 28
8338 184 H 14.1715 35.8694 10.281 0.00130127 0.00482864 -0.00358273 28
8339 185 H 15.9571 35.9352 10.098 -0.00596989 0.00399939 -0.00882745 28
8340 186 H 15.7461 33.7529 8.871 -0.00221278 -0.00109217 0.00798889 28
8341 187 H 13.9588 33.9078 8.90214 0.00439278 -0.00560458 -0.00525052 28
8342 188 H 14.135 36.1733 7.69682 -0.00873787 -0.00563825 -0.00415114 28
8343 189 H 15.8712 35.9994 7.69323 0.00777122 -0.0118643 0.0044324 28
8344 190 H 15.6301 33.8266 6.30103 0.00463336 0.00596278 -0.0244372 28
8345 191 H 13.9375 34.1039 6.30223 -0.00708316 0.0103981 0.00365181 28
8346 192 H 14.2699 36.3578 5.2351 -0.0106368 -0.0065388 -0.0044435 28
8347 193 H 15.9947 36.1374 5.19603 0.0118417 -0.0214538 0.0037476 28
8348 194 H 15.8976 34.3576 3.68406 -0.00198079 0.0015987 -0.00714244 28
8349 195 H 14.1524 34.2162 3.69962 0.0010877 -0.00290434 0.00247906 28
8350 196 H 13.988 36.6848 2.90654 -0.00266392 -0.00343255 -0.00403751 28
8351 197 H 15.7204 36.6642 2.71392 0.0096997 -0.00730398 -0.00252185 28
8352 198 H 15.5363 34.8926 0.990414 0.00211711 0.00542599 0.00345803 28
8353 199 H 13.8109 34.7326 1.25454 -0.00439002 0.000978676 0.0126215 28
8354 200 H 14.1525 36.0297 -0.769203 -0.0185208 -0.00422508 0.00612549 28
8355 201 H 13.5551 37.214 0.367429 0.0142441 0.0123121 0.00276754 28
8356 202 H 15.2522 37.146 0.141168 -0.000433098 0.00626922 -0.00501713 28
8357 203 H 17.706 41.0695 14.8995 0.00643026 -0.000627353 -0.011144 28
8358 204 H 18.0836 39.3264 15.043 0.00834831 -0.00928033 -0.029816 28
8359 205 H 16.7907 38.8677 13.0626 -0.00496956 0.00202832 0.00457007 28
8360 206 H 16.2037 40.5555 13.0117 -0.00302666 -0.00910309 0.00460611 28
8361 207 H 19.1345 39.939 12.6848 -0.00106492 -0.00444692 -0.00275368 28
8362 208 H 17.9982 39.733 11.2857 0.0096982 -0.00383483 0.0024618 28
8363 209 H 17.1982 42.1505 11.7998 -0.001464 0.00139702 6.60246e-05 28
8364 210 H 18.6225 42.339 12.7012 0.00367697 -0.00744983 0.00390589 28
8365 211 H 18.9442 43.1975 10.418 -0.0048839 0.00140895 0.00275463 28
8366 212 H 20.0655 41.8566 10.5901 -0.00340352 -0.000698004 -0.000414484 28
8367 213 H 18.6917 40.3209 9.32381 0.00933199 -0.00230743 -0.01872 28
8368 214 H 17.3283 41.5192 9.29676 0.000392889 -0.0158966 0.000632148 28
8369 215 H 18.8605 42.9934 8.02045 0.00634694 0.000699433 -0.00781959 28
8370 216 H 20.0968 41.6621 7.93642 -0.000853163 0.00887061 -0.0141618 28
8371 217 H 18.5271 40.2212 6.67673 0.0037847 0.00158223 0.00779712 28
8372 218 H 17.2625 41.4959 6.8002 0.00802208 0.0128317 -1.83171e-05 28
8373 219 H 18.7527 43.0375 5.48902 -0.00594441 0.00173498 -0.00399916 28
8374 220 H 19.8555 41.7219 5.24428 0.000613028 -0.00576001 0.00727086 28
8375 221 H 18.0569 40.3671 4.08904 0.00504475 0.00659917 -0.00139643 28
8376 222 H 16.9045 41.6154 4.39967 -0.00434474 0.0043126 -0.0138445 28
8377 223 H 18.3408 43.2313 3.04154 0.000299026 -0.000688741 0.0108442 28
8378 224 H 19.5963 42.0384 2.80185 0.000215105 0.0101681 -0.00737005 28
8379 225 H 18.3861 42.2908 0.721423 -0.00801946 0.0158891 -0.00156242 28
8380 226 H 18.0083 40.7279 1.35655 0.0152136 0.000906818 0.00951265 28
8381 227 H 16.8166 42.0652 1.51911 -0.00160563 -0.00201743 -0.00409171 28
8382 228 H 6.77709 38.2799 33.0893 0.00753479 -0.00179102 -0.00756568 28
8383 229 H 7.11705 36.6505 33.5909 -0.00742348 0.0018416 0.0193109 28
8384 230 H 8.59053 37.4771 35.4419 -0.000733295 0.00930328 0.00861765 28
8385 231 H 7.85054 39.0719 35.1869 0.00517382 -0.000465388 0.0130498 28
8386 232 H 5.50965 37.6958 35.4861 0.00218238 0.0114957 0.00843872 28
8387 233 H 6.56003 36.57 36.3187 0.00287952 0.00105511 -0.00270352 28
8388 234 H 7.41966 38.9129 37.4422 0.00211237 0.00284025 -0.00104914 28
8389 235 H 5.66995 39.1242 37.3099 -9.75872e-05 -0.0030923 0.017051 28
8390 236 H 5.09985 37.1039 38.2944 0.00551713 -0.0113846 -0.00694216 28
8391 237 H 6.79128 36.593 38.5949 0.0032185 -0.00100366 -0.00838539 28
8392 238 H 7.0124 38.7342 40.1062 -0.00341026 0.00795864 0.000106625 28
8393 239 H 5.27252 38.9147 39.8516 -0.00221698 -0.00145014 0.0132117 28
8394 240 H 4.67552 36.9679 41.0815 0.00590135 -0.00371327 0.00104616 28
8395 241 H 6.39858 36.4178 41.0446 0.000533988 -0.00533096 0.000871909 28
8396 242 H 6.95261 38.3179 42.6546 -0.00172606 -0.010623 0.00693715 28
8397 243 H 5.30162 38.8224 42.6154 0.0092099 0.00570349 0.0093627 28
8398 244 H 4.51764 36.6873 43.5805 -0.0010934 -0.000893834 -0.000824111 28
8399 245 H 6.16513 36.01 43.4209 -0.000922839 0.001861 -0.0009835 28
8400 246 H 7.08254 37.5482 45.0207 0.00219935 0.0034883 0.00523152 28
8401 247 H 5.55836 38.4089 45.1956 -0.00335099 -0.00153778 -0.00152772 28
8402 248 H 4.65288 36.8584 46.5693 0.0107679 0.0109889 0.00510555 28
8403 249 H 5.35988 35.4233 45.7559 -0.0116564 0.00638087 -0.00834672 28
8404 250 H 6.8498 37.208 47.7008 -0.000651486 -0.00120014 0.00161984 28
8405 251 H 6.23355 35.5371 47.9926 -8.60131e-05 0.0073874 0.00710183 28
8406 252 H 7.5493 35.8382 46.8282 -0.00197164 0.00824676 -0.00806135 28
8407 253 H 13.8077 39.3571 35.2216 -0.00051616 -0.00719546 -0.002295 28
8408 254 H 14.8274 40.1329 33.9678 0.00382776 -0.00413797 0.00530983 28
8409 255 H 13.7986 42.2607 34.4376 0.00944375 -0.000800583 0.0102195 28
8410 256 H 12.431 41.4577 35.2812 -0.00240193 -0.00729192 -0.00957363 28
8411 257 H 14.1153 40.5104 36.9371 0.00162486 -0.00462317 -0.0134114 28
8412 258 H 15.2635 41.7409 36.3573 0.00200086 -0.011979 -0.00913231 28
8413 259 H 13.7592 43.5738 36.98 -0.00589138 0.00786842 0.0152187 28
8414 260 H 12.5094 42.465 37.4949 0.00430077 -0.017312 0.0027239 28
8415 261 H 15.2161 42.8101 38.7691 -0.000293226 0.00756375 0.00263049 28
8416 262 H 13.7119 43.5157 39.3261 -0.0168287 -0.00119912 -0.00609992 28
8417 263 H 13.3973 40.6535 39.1441 -0.00947154 0.016465 -0.0120618 28
8418 264 H 14.876 41.0244 40.0686 -0.00100816 0.000432025 0.00309098 28
8419 265 H 12.3204 42.4036 40.8252 0.00507533 -0.00193944 -0.00573252 28
8420 266 H 12.7203 40.7873 41.4293 0.00641387 -0.00265662 0.00325767 28
8421 267 H 14.9904 41.8886 42.2444 0.0070065 0.00294626 -0.0159136 28
8422 268 H 14.1964 43.4241 42.0135 -0.00506681 0.00166289 0.00828395 28
8423 269 H 12.4458 42.8369 43.6698 0.00225109 0.00625528 -0.0186372 28
8424 270 H 13.0403 41.1856 43.6879 0.00771724 -0.0025291 -0.00436405 28
8425 271 H 15.1901 41.9704 44.7583 0.00429697 0.000986748 0.0179266 28
8426 272 H 14.6127 43.6147 44.5569 -0.00404147 0.000176684 0.00637043 28
8427 273 H 12.7979 43.2429 46.2142 0.00341844 0.00532727 -0.00405805 28
8428 274 H 13.1649 41.5241 46.2974 0.0120636 -0.00426056 0.0124182 28
8429 275 H 14.8608 43.8759 47.2675 0.00637683 -0.00055476 -0.00579712 28
8430 276 H 14.2182 42.5289 48.2128 0.00866924 -0.00807133 0.00317264 28
8431 277 H 15.546 42.273 47.0022 -0.00282273 -0.00932651 0.00677476 28
8432 278 H 11.7111 33.4588 34.4668 0.00536038 -0.00213394 0.00546569 28
8433 279 H 12.2926 32.7445 33.0048 0.0112002 0.00224428 -0.00385821 28
8434 280 H 14.6573 33.8584 34.3366 -0.00204809 0.000554244 0.00173169 28
8435 281 H 14.2189 32.1701 34.0525 0.00136912 0.00548386 -0.0143595 28
8436 282 H 12.589 32.7527 36.2173 0.00172269 -0.00436534 -0.015798 28
8437 283 H 13.7099 34.0622 36.3657 0.0087938 -0.00169389 0.000794394 28
8438 284 H 15.5836 32.4649 36.532 -0.00365625 0.000374188 -0.000638145 28
8439 285 H 14.5425 31.1405 36.2727 0.00333656 -0.0105524 0.0161001 28
8440 286 H 14.9638 31.2378 38.608 0.00271154 -0.00128014 -0.0012045 28
8441 287 H 13.2554 31.4734 38.2738 0.00480607 -0.00380917 0.0185679 28
8442 288 H 13.4303 33.9107 38.834 0.00494999 0.00217487 0.003377 28
8443 289 H 15.226 33.7924 38.8859 -0.00161364 -0.0032068 0.0100236 28
8444 290 H 15.0241 32.1041 40.6559 0.00464829 0.00378942 0.0132661 28
8445 291 H 13.2889 32.2178 40.6749 -0.000216603 0.000571682 0.0096549 28
8446 292 H 13.3597 34.6102 41.403 -0.00224109 -0.0106728 -0.0143098 28
8447 293 H 15.1584 34.5878 41.2756 -0.00839579 0.00246883 -0.00807948 28
8448 294 H 15.2465 32.859 43.033 0.00522674 0.00644082 0.00717646 28
8449 295 H 13.4818 32.8946 43.2071 -0.0113858 0.0137736 -0.00287715 28
8450 296 H 13.4534 35.1619 43.9812 -0.00584208 -0.0168668 0.0046131 28
8451 297 H 15.224 35.3767 43.6219 0.00240723 0.00404405 0.00270099 28
8452 298 H 14.8531 35.2262 46.0172 0.00763495 0.00155198 0.00523446 28
8453 299 H 15.7301 33.7707 45.445 0.00119356 0.00899177 -0.00662355 28
8454 300 H 12.7542 33.8928 46.305 0.00141073 -0.000851438 -0.000474489 28
8455 301 H 14.0952 33.1273 47.1531 -0.0165832 0.00417903 0.0042716 28
8456 302 H 13.543 32.4682 45.6049 -0.00856778 -0.0140867 0.0157309 28
8457 1 C 17.4543 33.9826 31.0681 -0.00328941 -0.00149553 0.00243912 29
8458 2 C 17.5468 33.8842 29.6851 0.00320132 0.000844161 -0.000322795 29
8459 3 C 17.0146 32.779 29.0401 0.000679792 -0.00298456 0.00104091 29
8460 4 C 16.4274 31.7596 29.8136 0.000992455 0.00420336 0.00552183 29
8461 5 C 16.3118 31.8408 31.2085 -0.000831053 0.000820191 -0.00149708 29
8462 6 C 16.7982 33.0267 31.8506 -0.00181998 -0.00284523 0.0002358 29
8463 7 C 11.7841 30.4631 30.6811 0.000241217 -0.00130895 0.000834486 29
8464 8 C 11.9698 30.4882 29.2825 0.00357937 -0.000386438 0.000686349 29
8465 9 C 13.2548 30.4358 28.7471 -0.000873843 -0.00119881 0.000179375 29
8466 10 C 14.3406 30.4796 29.6363 0.000933618 -0.00173322 0.00111559 29
8467 11 C 14.1747 30.5016 31.0583 0.00530341 0.00218975 0.00107932 29
8468 12 C 12.8632 30.5142 31.6116 0.0020905 -0.00206605 8.72884e-05 29
8469 13 C 17.4187 27.184 31.5018 -0.00299439 -0.000248039 0.00115398 29
8470 14 C 17.5329 27.1922 30.1377 0.000177116 0.00305153 0.00691182 29
8471 15 C 17.0996 28.2488 29.3497 0.00260247 -0.000807409 0.000839158 29
8472 16 C 16.4577 29.3232 29.9723 0.00577315 0.00200366 -0.00235654 29
8473 17 C 15.8153 30.4609 29.1947 -0.00140682 -0.000502434 0.00103536 29
8474 18 O 16.6868 28.2098 33.5608 -0.000482332 0.000557931 -0.0021825 29
8475 19 O 12.629 30.4349 32.9966 0.00231986 0.00108726 -0.00194343 29
8476 20 O 16.7967 33.1504 33.2281 0.000357731 -0.000340444 0.00180619 29
8477 21 C 16.8053 28.2753 32.1659 -0.00411504 -0.00282202 -0.000826512 29
8478 22 C 16.0073 30.356 27.7559 -0.0010703 -0.00112669 0.000187094 29
8479 23 C 16.4408 30.2743 26.626 -0.000697359 0.00312177 -0.000203532 29
8480 24 C 17.1911 30.3104 25.4216 0.00279865 -0.00133024 -0.00401617 29
8481 25 C 16.9876 31.3965 24.512 0.00500614 0.00403688 0.00233011 29
8482 26 C 17.9902 31.6539 23.5791 -0.00257377 -0.00121323 -0.000604864 29
8483 27 C 19.1267 30.8053 23.4333 0.00216224 -0.00508849 0.000318276 29
8484 28 C 19.2839 29.677 24.3377 -0.00122342 -0.00566688 0.00147315 29
8485 29 C 18.3665 29.517 25.3599 -0.00156797 0.00194257 0.00193636 29
8486 30 C 19.9827 30.9238 22.3313 0.00625995 0.00253716 -0.0002831 29
8487 31 C 20.5258 30.9717 21.2352 3.44437e-06 -0.0105248 0.00154002 29
8488 32 C 19.2127 27.4841 19.2223 -0.00297543 -0.000932111 -0.000252715 29
8489 33 C 19.4496 27.3404 17.8342 -0.000758008 -0.000752205 -0.00135943 29
8490 34 C 20.1139 28.3795 17.1263 -0.00504114 -0.00201541 0.00600738 29
8491 35 C 20.4348 29.5708 17.7817 -0.000458368 0.000468428 -0.000499883 29
8492 36 C 20.2377 29.6548 19.1778 -0.00439792 -0.00249545 -0.00225601 29
8493 37 C 19.6178 28.6249 19.8962 0.00247654 -0.000659756 -0.0018572 29
8494 38 C 20.8344 30.9249 19.8175 -0.0010534 0.00504437 -0.0029633 29
8495 39 C 24.7068 30.7839 19.6089 0.00377437 -0.000337209 -0.00193347 29
8496 40 C 24.842 30.8469 18.1872 -0.000821982 0.0015257 -0.00213731 29
8497 41 C 23.7242 30.8396 17.3649 -0.00110378 0.00280363 -0.0053784 29
8498 42 C 22.4523 30.8491 17.9802 -0.00359707 0.00178024 -0.00180437 29
8499 43 C 22.3032 30.8664 19.3919 0.000689455 -0.000310931 0.00143476 29
8500 44 C 23.4521 30.8357 20.2199 0.0013363 -0.000237329 -0.00433233 29
8501 45 C 19.0195 34.1753 18.7275 0.000489752 -0.00252785 0.00156471 29
8502 46 C 19.1343 34.0617 17.3209 0.00350957 -0.000202513 -0.00347863 29
8503 47 C 19.9363 33.0277 16.7953 -0.00413208 0.00109593 0.000312268 29
8504 48 C 20.4283 32.0379 17.6341 -0.00387538 -0.00129473 -0.00178379 29
8505 49 C 21.1776 30.7994 17.1798 -0.0052045 0.00315678 -0.00130511 29
8506 50 C 20.2399 32.0953 19.0416 0.00186982 -0.0046749 -0.000590767 29
8507 51 C 19.5532 33.1962 19.5733 -0.00458477 0.000929484 0.00427733 29
8508 52 O 23.9491 30.978 16.0207 0.00273539 -0.00186149 -0.00252898 29
8509 53 O 20.5456 28.182 15.8099 -0.00156331 -0.00264858 -0.000371326 29
8510 54 O 20.1363 32.9218 15.4266 0.00124742 0.00138044 0.00285833 29
8511 55 C 15.5264 30.6116 31.8176 0.00251226 -0.00302909 0.00485451 29
8512 56 C 16.2827 29.3476 31.3888 0.000252103 -0.000890388 0.000819619 29
8513 57 C 23.5676 29.9559 15.0494 0.00346092 0.000630202 0.00096879 29
8514 58 C 23.21 30.723 13.7715 0.00113817 0.00097289 -0.00386958 29
8515 59 C 22.5728 29.9156 12.64 -0.00133304 -0.00254987 0.0033959 29
8516 60 C 22.6016 30.711 11.3065 0.000527099 0.00592382 0.0043346 29
8517 61 C 22.134 29.8677 10.0693 0.00075148 -0.000506546 0.00147387 29
8518 62 C 21.9929 30.8023 8.82038 0.000634327 -0.000180447 -0.000240677 29
8519 63 C 21.6413 30.2983 7.41016 -0.00118946 -0.000634266 0.00309476 29
8520 64 C 22.8968 29.9084 6.64373 -0.0035585 -0.00176092 -0.000498585 29
8521 65 C 22.8713 30.2666 5.09903 -0.00567846 0.000245302 0.00074134 29
8522 66 C 21.6339 29.7971 4.39745 -0.000263859 -0.000497147 -0.000502354 29
8523 67 C 21.8713 29.9068 2.8724 0.00352706 0.000335172 -0.00148254 29
8524 68 C 20.6892 29.31 2.07853 -0.00234778 0.00120533 -0.00196003 29
8525 69 F 17.7878 32.6234 22.6729 0.00191764 0.00184267 -0.000240629 29
8526 70 C 21.0314 26.9113 15.4728 -0.00176466 0.00174989 0.00310729 29
8527 71 C 21.7561 26.9741 14.1112 0.00346005 -9.83742e-06 -0.000436115 29
8528 72 C 22.0678 25.5599 13.6059 -0.000951711 -0.0023133 0.00247745 29
8529 73 C 22.6499 25.4814 12.1854 0.00317135 0.000523514 0.000541772 29
8530 74 C 21.7951 26.0519 11.0241 -0.0012386 -2.58044e-05 -0.00505347 29
8531 75 C 22.2868 25.4601 9.7126 0.00457485 0.00309267 0.000734012 29
8532 76 C 21.75 26.2151 8.47802 -0.00050577 -0.00129136 -0.00224187 29
8533 77 C 22.202 25.5 7.13862 0.00333949 -0.00112708 -0.000246965 29
8534 78 C 21.839 26.1414 5.81193 -0.0015283 0.00206674 -0.000605295 29
8535 79 C 22.3811 25.3454 4.58309 -0.00345878 2.67753e-05 0.000548401 29
8536 80 C 22.2971 26.1079 3.24223 -0.00511221 -0.00102813 0.000767159 29
8537 81 C 23.1127 25.5003 2.07834 0.00358521 0.00102545 0.00353626 29
8538 82 C 19.0681 32.289 14.7141 -0.000218118 -0.00133006 -0.00242539 29
8539 83 C 19.5399 31.8105 13.3317 -0.00107231 0.00557252 0.0022254 29
8540 84 C 19.1285 32.7163 12.1343 0.00231409 0.000480834 -0.000326616 29
8541 85 C 18.8129 31.9594 10.827 0.00166045 -0.00168268 0.00296558 29
8542 86 C 18.5996 32.9392 9.64534 9.02653e-05 -0.00106177 0.000773534 29
8543 87 C 18.4687 32.3641 8.2505 0.00250661 0.0024262 0.000758589 29
8544 88 C 18.454 33.4615 7.17556 -0.00222511 -0.000489805 0.00173442 29
8545 89 C 18.7912 33.0903 5.73899 -0.00231155 0.00175619 -0.00672565 29
8546 90 C 17.8241 32.1844 4.97607 -0.000239992 -0.00100352 0.000905894 29
8547 91 C 18.3111 32.123 3.50766 0.000691331 0.00215644 0.000847376 29
8548 92 C 17.4398 31.3292 2.49982 0.00118873 -0.000884508 0.00238339 29
8549 93 C 16.1622 32.0804 2.10766 -0.00119891 -0.000798066 -0.00560953 29
8550 94 C 11.2714 30.4083 33.5641 -0.000293728 0.00396961 -0.00573388 29
8551 95 C 11.1782 30.4175 35.0967 0.00244934 0.00266279 0.00332807 29
8552 96 C 9.80386 30.9489 35.6092 0.00433574 0.00192297 -0.000259448 29
8553 97 C 9.79851 31.6035 36.9979 -0.00389448 0.000432959 -0.000149487 29
8554 98 C 10.0346 30.6355 38.2019 0.000965521 0.00177959 0.000577068 29
8555 99 C 10.4516 31.4319 39.4968 0.00187547 0.00192208 -0.00139534 29
8556 100 C 10.4145 30.5882 40.7734 0.00219869 0.00547057 0.00111327 29
8557 101 C 10.5243 31.4759 41.9966 0.00203777 0.00151461 -0.00475709 29
8558 102 C 10.3561 30.6932 43.3001 0.000662296 0.000372876 -0.00480053 29
8559 103 C 10.4178 31.6009 44.5354 -0.00504067 0.00308693 -0.000154214 29
8560 104 C 10.3962 30.8537 45.8705 0.000110419 -0.00184791 -0.00088107 29
8561 105 C 10.139 31.8271 47.0437 -0.00266385 -0.00192047 0.00175923 29
8562 106 C 17.3793 34.356 33.7989 0.000217742 -0.00375101 0.00129047 29
8563 107 C 17.327 34.3691 35.325 -0.00315982 0.00193572 0.00221338 29
8564 108 C 18.0745 35.5415 35.9417 0.002501 -0.00783634 0.000686527 29
8565 109 C 17.5962 35.7475 37.3956 0.00053485 0.00319308 0.00133928 29
8566 110 C 18.7717 36.2862 38.2574 -0.00311612 -0.000265728 0.00369194 29
8567 111 C 18.4456 36.6903 39.6385 0.0031199 -0.0031628 -0.00115799 29
8568 112 C 18.2191 35.4881 40.5923 -0.00336486 0.00249616 -0.00159222 29
8569 113 C 18.206 36.0181 42.062 0.00255438 0.00204091 -0.000273947 29
8570 114 C 18.1722 34.8565 43.0534 0.00650778 0.000141713 0.00283787 29
8571 115 C 18.2018 35.3678 44.5012 -0.00261621 -0.000432376 0.000259572 29
8572 116 C 18.4937 34.2361 45.51 0.00166473 -0.00141516 -0.00128333 29
8573 117 C 18.396 34.7428 46.9326 0.00113755 -0.00195478 -0.0013474 29
8574 118 C 17.1145 26.9869 34.2584 -0.00115668 0.00186621 -0.000425211 29
8575 119 C 17.0583 27.0343 35.7679 -0.00233953 0.00155425 -0.00449798 29
8576 120 C 17.7979 25.8771 36.5281 0.000684475 -0.00128259 0.00423402 29
8577 121 C 17.6381 25.9056 38.0678 0.00495087 0.00365432 0.00250455 29
8578 122 C 17.7047 27.2944 38.7971 -0.00199526 0.00388351 0.00419409 29
8579 123 C 17.3508 27.2258 40.3059 0.00200275 -0.00279331 0.000505034 29
8580 124 C 18.2193 26.2695 41.1468 0.000824812 0.00159093 -0.0040847 29
8581 125 C 18.4904 26.7567 42.628 -0.00110033 -0.000427601 0.0042581 29
8582 126 C 17.5673 26.2595 43.7871 0.00384079 0.00544632 0.000102388 29
8583 127 C 18.2073 26.4995 45.1703 -0.00389063 0.00470699 -0.00627511 29
8584 128 C 17.4403 25.9186 46.3887 0.00234704 0.00627405 -0.00282314 29
8585 129 C 16.4363 26.9111 46.8954 -0.00175738 0.000298985 -0.000773077 29
8586 130 F 15.8574 32.1254 24.5262 -0.00496786 0.000691872 0.00403329 29
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8588 132 H 18.0434 34.6541 29.1019 -0.002225 -0.00299144 -0.0100164 29
8589 133 H 17.043 32.7058 27.9569 -0.00730449 -0.0173503 0.00178107 29
8590 134 H 10.7748 30.4622 31.0821 -0.00018416 0.000108085 -0.000235227 29
8591 135 H 11.1177 30.4895 28.6092 0.00558612 0.00884009 -0.00184024 29
8592 136 H 13.3614 30.3703 27.6683 0.00817611 -0.01132 0.00169418 29
8593 137 H 17.7828 26.3075 32.0296 0.00512171 -0.00218383 -0.00767749 29
8594 138 H 17.9454 26.3249 29.6306 0.00245851 0.0121971 -0.00687444 29
8595 139 H 17.3612 28.1922 28.2972 0.0047238 0.00298738 0.00116023 29
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8597 141 H 18.543 28.8174 26.1715 0.00168087 -0.00428185 -0.00416114 29
8598 142 H 18.723 26.6909 19.7795 -0.00142651 -0.00514817 -0.00489535 29
8599 143 H 19.175 26.4022 17.3613 0.0025209 0.000643815 -0.00602742 29
8600 144 H 19.4419 28.6123 20.9677 0.00930389 0.00319204 -0.000706777 29
8601 145 H 25.6099 30.6681 20.2008 0.00210031 -0.00322297 5.46274e-05 29
8602 146 H 25.8283 30.8372 17.7326 0.000812442 -0.00691709 0.00158843 29
8603 147 H 23.404 30.8292 21.3049 0.0140348 -0.00505256 -0.00378241 29
8604 148 H 18.4192 34.956 19.1855 0.00999638 0.00749111 -0.00308451 29
8605 149 H 18.661 34.7934 16.6728 0.00562051 0.0114599 0.0081367 29
8606 150 H 21.3609 30.7852 16.0983 -0.00443938 -0.00159203 -0.00111205 29
8607 151 H 19.4425 33.2934 20.6493 -0.00911814 0.0103215 0.00295324 29
8608 152 H 15.4484 30.6162 32.9118 -0.00974912 -5.94501e-05 0.00395119 29
8609 153 H 24.4372 29.3003 14.9173 0.00253678 -0.00264678 0.0110685 29
8610 154 H 22.713 29.3561 15.386 0.00382578 0.0023079 0.00488165 29
8611 155 H 24.1238 31.1549 13.345 0.00397752 0.00311466 0.00440503 29
8612 156 H 22.5321 31.5382 14.0533 -0.0020814 -0.0037737 0.00214436 29
8613 157 H 21.5112 29.7941 12.8883 -0.00377729 0.0124919 0.000409653 29
8614 158 H 22.9653 28.8988 12.5149 2.12939e-05 -0.00175354 0.00119336 29
8615 159 H 23.6082 31.0576 11.0418 -0.00200644 -0.00500341 -0.0198441 29
8616 160 H 21.9779 31.611 11.3729 -0.00765719 0.00101156 -0.00583333 29
8617 161 H 21.176 29.3675 10.2578 0.00115465 0.00079319 0.00693246 29
8618 162 H 22.8487 29.0712 9.82806 -0.000720509 -0.00764812 0.020725 29
8619 163 H 22.9287 31.3679 8.73254 0.00177306 -0.000933253 0.00706557 29
8620 164 H 21.2346 31.5315 9.13129 -0.00391098 -0.00326821 -0.00411621 29
8621 165 H 21.2268 31.1527 6.861 -0.00863358 -0.0051517 0.0016998 29
8622 166 H 20.8714 29.5183 7.45767 -0.00367423 0.00208323 0.00758735 29
8623 167 H 23.159 28.8526 6.78484 0.00606033 0.000222077 -0.00346615 29
8624 168 H 23.7565 30.5272 6.92914 0.00335981 -0.0117246 0.000240087 29
8625 169 H 23.7707 29.8611 4.6194 -0.00125845 -0.000568358 0.00970416 29
8626 170 H 22.8912 31.3585 4.995 -0.0143533 0.000957353 0.0064588 29
8627 171 H 20.7793 30.4158 4.69785 -0.00683308 -0.00687793 -0.00604576 29
8628 172 H 21.381 28.754 4.62428 -0.00510215 0.000554193 -0.00104222 29
8629 173 H 22.7509 29.3349 2.55188 0.00263947 -0.00368563 0.00326202 29
8630 174 H 22.0267 30.9518 2.57705 -0.00344928 -0.000192666 -0.00703138 29
8631 175 H 19.7674 29.8833 2.23624 -0.00350347 -0.00119658 1.61058e-05 29
8632 176 H 20.4692 28.2726 2.35923 0.0109406 0.00188339 0.0109163 29
8633 177 H 20.8968 29.3425 1.00184 0.00617619 0.00232228 -0.000280117 29
8634 178 H 21.7302 26.5645 16.2441 0.00995821 -0.000891768 -0.00868582 29
8635 179 H 20.2221 26.1811 15.3495 -0.0105154 0.0111003 0.00532481 29
8636 180 H 21.1058 27.5001 13.4014 -0.00415823 0.00605635 0.0110231 29
8637 181 H 22.6801 27.5433 14.2712 0.00815933 -0.00805767 0.00104177 29
8638 182 H 22.7276 25.0127 14.2904 -0.0085062 -0.00287048 0.00931709 29
8639 183 H 21.1281 24.9965 13.6588 -0.010565 0.0120565 -0.0153007 29
8640 184 H 23.6503 25.9303 12.1532 0.00357358 -0.000156292 0.00355975 29
8641 185 H 22.8518 24.426 11.9645 0.00704699 0.00253543 -0.00555535 29
8642 186 H 20.7237 25.881 11.1861 0.000888088 -0.00611815 0.00256238 29
8643 187 H 21.9608 27.1351 10.9714 0.0076922 -0.00135705 -0.0045196 29
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8645 189 H 21.9053 24.4352 9.6276 -0.00177228 0.00622059 -0.00865749 29
8646 190 H 20.6537 26.2196 8.51842 -3.89262e-05 0.000183819 0.010182 29
8647 191 H 22.0919 27.2573 8.46119 0.00410303 -0.00276311 0.000407558 29
8648 192 H 23.2913 25.3788 7.1856 0.00238433 -0.00903773 0.00145807 29
8649 193 H 21.7444 24.503 7.14668 0.00173334 -0.0002962 0.0129917 29
8650 194 H 20.7596 26.2769 5.67091 -0.00316291 0.00202392 0.0120453 29
8651 195 H 22.3095 27.1323 5.79644 0.00197988 0.000332364 -0.0052018 29
8652 196 H 23.4065 25.0404 4.82616 -0.00500691 -0.000314749 0.00671193 29
8653 197 H 21.8557 24.384 4.52697 -0.0130516 0.00569126 -0.00618373 29
8654 198 H 21.25 26.231 2.93917 -0.00634602 -0.0152607 -0.000719829 29
8655 199 H 22.7049 27.1202 3.35283 -0.00341258 -0.0036793 0.0185025 29
8656 200 H 23.1206 26.2175 1.24831 -0.0118518 -0.0066953 -0.00329687 29
8657 201 H 24.145 25.2451 2.3479 0.00446375 -0.005838 -0.00629698 29
8658 202 H 22.5867 24.596 1.7481 -0.011542 0.00952336 0.00429091 29
8659 203 H 18.7547 31.4028 15.2797 -0.0109999 0.00263046 -0.00219082 29
8660 204 H 18.213 32.9723 14.6411 0.00879377 0.0101128 -0.000843733 29
8661 205 H 20.6368 31.8038 13.346 -0.00126135 -0.00449729 0.0111666 29
8662 206 H 19.1735 30.7875 13.1807 -0.00380898 0.00745506 -0.00389838 29
8663 207 H 18.232 33.287 12.4064 -0.00724035 -0.0149057 0.000414707 29
8664 208 H 19.9223 33.4719 12.0857 0.00517257 -0.00301707 -0.00722274 29
8665 209 H 19.6008 31.2423 10.5654 -0.000670784 -0.00203342 -0.00312417 29
8666 210 H 17.8955 31.3853 11.0067 0.0108514 -0.0220568 -0.015308 29
8667 211 H 17.8087 33.6359 9.94957 0.00947565 0.0162536 -0.0145648 29
8668 212 H 19.5099 33.551 9.62139 -0.00261836 0.00331216 0.00939012 29
8669 213 H 19.3027 31.6729 8.07742 0.00293764 0.00261638 0.002069 29
8670 214 H 17.4925 31.8686 8.17966 -0.00391971 0.0151443 -0.000174533 29
8671 215 H 17.5302 34.0436 7.28081 0.00393684 0.00715201 0.0138045 29
8672 216 H 19.2577 34.1312 7.50577 0.00138246 -0.00724488 0.00671335 29
8673 217 H 18.7254 34.021 5.16213 -0.00657018 -0.0020003 -0.0123423 29
8674 218 H 19.7979 32.6546 5.72697 -0.00206185 0.00209099 0.00129818 29
8675 219 H 17.7752 31.1658 5.38043 0.00249958 -0.00336818 -0.00469498 29
8676 220 H 16.8371 32.6631 4.96918 -0.000812053 -0.00220369 -0.000358529 29
8677 221 H 18.3345 33.1412 3.1002 -0.0105239 0.00259678 0.00122739 29
8678 222 H 19.3079 31.6657 3.53421 0.00206893 0.00556173 0.00782866 29
8679 223 H 18.0474 31.167 1.60094 -0.0065067 -0.0293079 0.00238357 29
8680 224 H 17.0879 30.408 2.98035 0.00856629 0.00210341 0.0135416 29
8681 225 H 15.3815 32.0807 2.87828 0.00105335 -0.0192309 -0.00331055 29
8682 226 H 16.3644 33.1151 1.80442 0.00155469 0.00250853 0.00745722 29
8683 227 H 15.7378 31.4758 1.29673 -0.00429044 -0.00846032 0.00168568 29
8684 228 H 10.709 31.2699 33.1839 0.00553347 0.00404314 -0.0141875 29
8685 229 H 10.8014 29.4908 33.189 0.00872575 -0.00325395 0.000637973 29
8686 230 H 11.2845 29.3745 35.4194 -0.00573744 0.00428572 0.0112388 29
8687 231 H 12.0513 30.9369 35.5108 0.00866488 0.000108941 -0.00654896 29
8688 232 H 9.42019 31.6848 34.8918 0.00451266 0.00698868 0.00484377 29
8689 233 H 9.04927 30.1542 35.6578 -0.00214862 0.00838841 0.00501296 29
8690 234 H 10.4813 32.4616 37.0262 0.00074591 -0.00261287 -0.0207126 29
8691 235 H 8.79189 32.0075 37.1617 -0.00991946 -0.00639022 -0.0203953 29
8692 236 H 9.07875 30.1176 38.3489 0.000175828 0.00366891 0.00211062 29
8693 237 H 10.8284 29.923 37.9459 -0.00228665 -0.0016667 0.000116369 29
8694 238 H 11.4572 31.8385 39.333 0.0026202 -0.000441884 -0.0027368 29
8695 239 H 9.70354 32.2246 39.6206 -0.00451268 -0.00526579 0.00619697 29
8696 240 H 9.48971 30.0048 40.8616 0.0110366 -0.0094119 -0.00459885 29
8697 241 H 11.2393 29.865 40.7606 0.00035097 0.00361159 -0.0132226 29
8698 242 H 11.5192 31.934 41.9346 0.00560376 -0.00538935 0.00148476 29
8699 243 H 9.77052 32.2724 42.0253 0.00514862 0.0040571 0.0073358 29
8700 244 H 9.38575 30.1821 43.2739 0.00208755 -0.0022635 -0.00616255 29
8701 245 H 11.1206 29.911 43.3845 -0.00722116 -0.00512584 0.015823 29
8702 246 H 11.2839 32.2713 44.4738 0.00202589 -0.00530169 0.0083158 29
8703 247 H 9.57544 32.3033 44.5141 0.000451032 0.00970066 0.000223498 29
8704 248 H 9.54077 30.1674 45.8946 -0.0106442 0.0111601 -0.0124805 29
8705 249 H 11.2584 30.2165 46.1031 -0.000824485 3.44061e-05 0.00783638 29
8706 250 H 10.2642 31.3009 47.9981 -0.00215231 -0.0145413 -0.00526831 29
8707 251 H 10.8811 32.6344 47.0744 -0.00920253 0.00426313 -0.00307538 29
8708 252 H 9.14426 32.2822 46.9614 -0.00163833 -0.00132986 -0.00749221 29
8709 253 H 18.415 34.4876 33.4621 -8.15523e-05 -0.00216647 0.000985707 29
8710 254 H 16.8113 35.2274 33.4504 0.00382121 -0.00373493 -0.00453103 29
8711 255 H 16.2899 34.3872 35.682 -0.00430306 -0.00617187 -0.000729168 29
8712 256 H 17.8282 33.477 35.7203 -0.00177437 0.000321469 -0.0031769 29
8713 257 H 19.1355 35.2679 35.9939 0.00483521 0.00034766 -0.00406201 29
8714 258 H 18.043 36.4875 35.3872 -0.00162768 -0.0151144 -0.0114515 29
8715 259 H 16.822 36.5245 37.4144 0.000597322 0.00375861 -0.0195338 29
8716 260 H 17.2005 34.8355 37.8593 -0.00568383 0.000990515 -0.00832527 29
8717 261 H 19.563 35.5348 38.3697 -0.00776316 -0.00269366 0.0204 29
8718 262 H 19.2056 37.1618 37.7589 0.000103068 -0.00234572 0.00284041 29
8719 263 H 19.2999 37.2478 40.0419 0.00128284 0.00676668 -0.0110654 29
8720 264 H 17.5271 37.2892 39.6065 0.000845261 -0.00739589 -0.015722 29
8721 265 H 17.2311 35.0576 40.3875 -0.00407426 0.00116767 0.00460523 29
8722 266 H 18.9815 34.7109 40.4577 -0.00265108 0.00204917 0.00503701 29
8723 267 H 19.0846 36.6397 42.2743 -0.00232584 0.00934393 -0.00144023 29
8724 268 H 17.3432 36.6811 42.201 0.0129043 0.0148281 0.00303724 29
8725 269 H 17.2242 34.3136 42.954 0.00475948 0.00476949 -0.00565502 29
8726 270 H 18.9815 34.1316 42.9021 0.00076456 -0.00372873 -0.00927263 29
8727 271 H 18.9902 36.1293 44.5442 -0.011711 0.00954828 -0.00907142 29
8728 272 H 17.2812 35.9185 44.7305 -0.00272904 -0.00279337 0.0054512 29
8729 273 H 17.8931 33.3567 45.2466 -0.00588253 0.00241202 0.00324517 29
8730 274 H 19.5382 33.9308 45.3713 0.00161742 0.00338761 -0.0122158 29
8731 275 H 18.6193 33.9575 47.6653 0.0122426 -0.00343469 -0.00635211 29
8732 276 H 19.1163 35.55 47.1141 -0.00701174 0.00342519 0.00713161 29
8733 277 H 17.4131 35.0959 47.2681 0.000450495 0.000579833 -0.00608826 29
8734 278 H 16.5289 26.126 33.913 -0.00137714 -0.00216163 0.00999024 29
8735 279 H 18.1468 26.7619 33.9629 -0.00101716 -0.00782806 0.00747978 29
8736 280 H 16.0037 27.0234 36.0699 -0.00258252 -0.00703872 -0.00563619 29
8737 281 H 17.5117 28.0068 35.996 -0.015958 0.00583062 0.00423779 29
8738 282 H 18.865 25.8806 36.2738 0.001707 -0.00766451 0.0084591 29
8739 283 H 17.3904 24.9198 36.1803 -0.0177353 0.00771943 0.000934605 29
8740 284 H 18.4105 25.2223 38.4416 -0.000520759 -0.00284316 0.00195631 29
8741 285 H 16.7002 25.3784 38.2818 0.00126235 0.00609059 -0.00758335 29
8742 286 H 16.9828 27.9176 38.255 -0.00260269 -0.00641314 -0.00693317 29
8743 287 H 18.7125 27.7147 38.6913 0.0049948 -0.0175425 -0.0145505 29
8744 288 H 16.2941 26.9547 40.4207 -0.00284711 0.0172612 0.00335929 29
8745 289 H 17.3996 28.247 40.7037 0.0156277 -0.00831818 0.0129649 29
8746 290 H 19.2117 26.1813 40.6877 0.00182088 0.00926877 -0.00340721 29
8747 291 H 17.7618 25.2729 41.1161 0.00489254 -0.000728445 0.0108854 29
8748 292 H 18.5314 27.8526 42.6523 0.00134131 -0.000334772 -0.00397031 29
8749 293 H 19.52 26.456 42.8583 0.00923189 0.0222123 -0.012173 29
8750 294 H 17.3962 25.1825 43.6681 0.0122256 0.00352417 0.00539909 29
8751 295 H 16.5981 26.7693 43.7233 0.0060393 0.00796134 -0.013327 29
8752 296 H 18.3776 27.5664 45.3604 0.00864953 0.00338015 -0.0102034 29
8753 297 H 19.1549 25.9469 45.1723 -0.0124576 -0.0100337 0.000635696 29
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8755 299 H 16.9216 24.9905 46.1188 0.00952046 0.00376863 -0.00800011 29
8756 300 H 15.7837 26.3982 47.6127 -0.000520015 0.00130016 0.00106254 29
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8759 1 C 21.4408 40.7851 31.7185 0.00280207 0.00310837 -0.000315795 30
8760 2 C 21.5863 40.7525 30.3393 -0.00151134 5.5219e-05 0.00232274 30
8761 3 C 21.0383 39.7047 29.5859 0.00210813 0.00160581 -0.000126212 30
8762 4 C 20.3819 38.6493 30.2365 0.00406591 -0.00182931 -0.00109838 30
8763 5 C 20.2389 38.6596 31.6503 0.00390851 0.000584828 0.000206456 30
8764 6 C 20.7568 39.7621 32.4204 0.00219 0.00111492 3.47829e-05 30
8765 7 C 15.7371 37.3214 30.8426 -0.00216065 0.00434727 -0.00182666 30
8766 8 C 16.0057 37.3336 29.45 -0.00235408 -0.00225873 -0.0030746 30
8767 9 C 17.309 37.3802 29.024 0.000176141 0.00606963 0.00224761 30
8768 10 C 18.3621 37.3895 29.9454 -0.00107397 0.0041971 -0.000130686 30
8769 11 C 18.1405 37.4118 31.3415 0.00153791 -0.00270173 -0.00106257 30
8770 12 C 16.7883 37.419 31.8052 -0.000495504 -0.000996955 -0.000506022 30
8771 13 C 21.5448 34.1254 31.7127 -0.00115855 0.0037291 -0.000508782 30
8772 14 C 21.729 34.1573 30.314 0.00138914 0.00199259 0.00232744 30
8773 15 C 21.1689 35.1776 29.5508 0.000146736 -0.0011615 -0.000335435 30
8774 16 C 20.4092 36.1923 30.2085 -0.00182158 -0.00092926 -0.00426514 30
8775 17 C 19.8202 37.3936 29.5494 -0.000416278 0.000245566 -0.000918354 30
8776 18 O 20.829 35.044 33.7591 0.00133829 0.00235418 0.00400029 30
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8778 20 O 20.6667 39.9235 33.8156 -0.00112821 0.0045722 0.00373149 30
8779 21 C 20.819 35.1058 32.3862 0.00048414 0.00188253 0.00188876 30
8780 22 C 20.1068 37.4077 28.0968 -0.00247449 -0.00150146 0.00282317 30
8781 23 C 20.5948 37.4483 26.9684 -0.00313813 -0.00439275 -0.000669428 30
8782 24 C 21.3766 37.5004 25.7772 -0.00219123 0.00153689 -0.00597477 30
8783 25 C 21.0634 38.4349 24.7855 0.00206966 0.000613426 0.00365828 30
8784 26 C 21.8803 38.5429 23.6592 0.000951766 -0.000484746 0.00253852 30
8785 27 C 23.0415 37.737 23.5611 0.00439691 0.00326166 -6.27951e-05 30
8786 28 C 23.3054 36.7713 24.5932 0.00253448 -0.00173599 -0.00199972 30
8787 29 C 22.4908 36.6932 25.6813 0.00166816 1.75203e-05 0.00209471 30
8788 30 C 23.836 37.724 22.3516 -0.000303871 0.00227152 0.000602329 30
8789 31 C 24.3337 37.7394 21.2609 -0.00159956 -0.0069415 -0.00310154 30
8790 32 C 22.8157 34.3196 19.1083 -0.00372986 0.000250117 -0.00486386 30
8791 33 C 22.8871 34.3224 17.7134 -0.00170429 0.00017491 -0.00163441 30
8792 34 C 23.5214 35.4006 17.0828 0.00220525 -0.000889162 0.000151028 30
8793 35 C 24.0796 36.4716 17.7751 0.0013577 0.00511726 0.00292767 30
8794 36 C 23.9415 36.4981 19.1785 -0.000601274 -0.00207447 -0.0019817 30
8795 37 C 23.3383 35.4022 19.8503 0.000237952 0.00189382 0.00243777 30
8796 38 C 24.6386 37.6821 19.8365 0.00183699 0.00257075 -5.58999e-06 30
8797 39 C 28.493 37.622 19.6434 -0.00234303 0.00131503 0.00237418 30
8798 40 C 28.6706 37.5588 18.2386 0.0015795 0.000985015 -0.0025538 30
8799 41 C 27.5292 37.4849 17.4227 -0.00519002 -0.00130971 -0.00524289 30
8800 42 C 26.2573 37.5624 17.9988 -0.00090951 0.000554022 0.00040548 30
8801 43 C 26.0996 37.5499 19.4035 -0.00176196 0.00250947 0.00215677 30
8802 44 C 27.2257 37.5682 20.2337 0.000994691 6.73101e-05 0.00364581 30
8803 45 C 23.0355 41.0877 18.8565 0.00173794 0.00042049 -0.00209209 30
8804 46 C 23.304 41.0357 17.5041 0.00103233 0.00106508 -0.00459465 30
8805 47 C 23.9277 39.9444 16.8792 0.0034922 0.00360827 0.000918555 30
8806 48 C 24.2914 38.8753 17.7093 -0.000240799 0.00188108 -0.00527888 30
8807 49 C 24.9518 37.6086 17.2104 -0.000787897 -6.22615e-05 0.00327654 30
8808 50 C 24.1148 38.9199 19.1227 0.000234315 -0.00329517 -0.00446861 30
8809 51 C 23.5164 40.0718 19.7143 -0.00270479 -0.00291796 -0.00432317 30
8810 52 O 27.6931 37.5909 16.0613 -0.00550456 -0.00437358 -0.000242878 30
8811 53 O 23.7397 35.4009 15.7251 0.00179329 -0.00149104 -0.00244331 30
8812 54 O 23.9726 39.8833 15.4922 -0.000450205 0.00046544 -0.00393836 30
8813 55 C 19.454 37.4145 32.1969 -0.000250953 0.00224062 0.00372897 30
8814 56 C 20.2735 36.1781 31.6389 0.00115501 0.00130718 0.00209431 30
8815 57 C 28.2228 36.4559 15.3575 -0.00235412 -0.00232158 -0.0020096 30
8816 58 C 27.3424 36.0748 14.1497 -0.00148065 0.00241741 -0.00483835 30
8817 59 C 27.4118 37.0492 12.9914 0.00151831 0.00378079 -0.0056442 30
8818 60 C 26.4364 36.6578 11.8326 0.00402892 0.00265832 0.00176993 30
8819 61 C 26.4922 37.6175 10.6163 -0.00422471 0.00452433 -0.000981146 30
8820 62 C 26.3127 36.8431 9.25711 -0.0031012 -0.000126113 -0.00057258 30
8821 63 C 26.2899 37.7875 8.01159 -0.00319081 -0.00346674 0.00522783 30
8822 64 C 26.3837 36.9904 6.68571 -0.00296637 -0.0018822 -0.00420163 30
8823 65 C 26.0516 37.8457 5.4525 0.00413446 0.00237039 0.00172453 30
8824 66 C 25.8943 36.9601 4.21456 0.00369642 0.00149711 -0.00115097 30
8825 67 C 25.5852 37.7611 2.90801 0.00213056 0.00123866 0.00480389 30
8826 68 C 25.0599 36.832 1.81423 0.000647857 -0.00127169 0.00361689 30
8827 69 F 21.5126 39.3885 22.6513 1.90477e-05 0.00143838 -0.0047916 30
8828 70 C 23.2661 34.4462 14.8324 0.00212573 -0.000614368 -0.00112037 30
8829 71 C 23.6906 34.9195 13.4099 -0.00123414 0.00160112 -0.00383312 30
8830 72 C 22.7499 34.4282 12.3076 -0.00117381 -0.00386079 -0.00474711 30
8831 73 C 23.2456 34.7141 10.8383 0.00119225 -0.00524486 -0.00090132 30
8832 74 C 22.1604 34.3111 9.83274 -0.000362718 0.0044269 -0.00140357 30
8833 75 C 22.5505 34.0831 8.33237 -0.00512994 -3.60492e-05 -5.35821e-05 30
8834 76 C 22.8041 35.3936 7.56812 0.00184819 -0.00320162 0.000786795 30
8835 77 C 23.2425 35.3092 6.09551 -0.0001181 -0.00194465 0.00524424 30
8836 78 C 22.21 34.5785 5.24141 -0.000460738 0.000570379 -0.00234987 30
8837 79 C 22.2547 34.9911 3.77817 -0.00304765 -0.000545427 0.000735502 30
8838 80 C 21.2745 34.223 2.96092 -0.000856928 0.002403 0.0046453 30
8839 81 C 21.2556 34.6239 1.49237 0.00608398 -0.00328867 -0.000206314 30
8840 82 C 25.2171 40.1929 14.7925 -0.00208031 -0.00168504 0.00438939 30
8841 83 C 24.9195 40.2977 13.2628 0.000686925 4.2213e-05 -0.00281559 30
8842 84 C 25.977 40.9097 12.3442 -0.0013994 -0.000179619 0.000424874 30
8843 85 C 25.3648 41.2656 11.0016 0.000611772 0.000766099 -0.00563421 30
8844 86 C 26.2936 41.4294 9.78773 -0.0016133 -0.00349655 -0.00271687 30
8845 87 C 25.601 42.2403 8.71637 0.00174828 -0.00279286 -0.00317469 30
8846 88 C 26.2191 42.3304 7.28726 -0.00209994 -0.00367813 0.00207063 30
8847 89 C 26.0739 41.0258 6.45389 -0.00133863 0.00327411 -0.00438592 30
8848 90 C 25.7493 41.2608 4.98949 -0.00279731 0.000570225 0.00107618 30
8849 91 C 26.8448 42.0422 4.27054 -0.00157944 -0.00253975 -0.000396267 30
8850 92 C 26.4708 42.5039 2.80932 -0.00405664 0.000544439 0.00177346 30
8851 93 C 26.1259 41.3881 1.78079 0.00140513 -0.00139944 -0.00188636 30
8852 94 C 15.0651 37.139 33.6229 0.00393842 -0.00261652 -0.000446909 30
8853 95 C 15.0329 37.1079 35.1377 -0.00437797 -0.00280206 0.00475706 30
8854 96 C 13.6884 36.7594 35.7853 -0.00516636 -0.00316594 -0.000682922 30
8855 97 C 13.838 36.4131 37.3002 -0.00323264 0.00171462 0.00377607 30
8856 98 C 14.0742 37.5636 38.2594 0.000464634 0.0028512 0.00339455 30
8857 99 C 14.3215 36.9803 39.6685 -0.00379891 0.00227523 0.0048913 30
8858 100 C 14.0693 38.0659 40.7111 0.00142774 0.00045945 -0.0016341 30
8859 101 C 14.2214 37.4755 42.1107 -0.00416599 -0.00198915 -0.00085736 30
8860 102 C 13.8911 38.5221 43.2154 0.00200245 -0.000651186 -0.00142724 30
8861 103 C 14.2436 37.9569 44.5567 -0.00134954 -0.0043579 0.00102723 30
8862 104 C 14.212 39.0284 45.6533 0.00373774 -0.001574 -0.00611457 30
8863 105 C 14.6426 38.508 47.0139 -0.0034942 0.00144384 -0.00068545 30
8864 106 C 21.4005 40.9765 34.4803 0.0029386 -0.000573005 -0.00127235 30
8865 107 C 21.169 41.123 36.0103 -0.00224525 0.00133359 -0.00113205 30
8866 108 C 21.9884 42.3552 36.5524 -0.000276953 -0.00221568 0.000678188 30
8867 109 C 21.7106 42.8293 37.9968 -0.000780922 -0.0041675 0.00637541 30
8868 110 C 21.8853 41.7813 39.0915 -0.000465723 0.00118829 0.00113906 30
8869 111 C 21.9616 42.4302 40.4654 1.87217e-05 0.000676645 -0.00121704 30
8870 112 C 21.8398 41.4934 41.6541 -0.00187781 -0.000561698 -0.000627465 30
8871 113 C 22.1073 42.2369 42.9978 0.00319325 0.00223885 0.00179712 30
8872 114 C 21.9075 41.3611 44.2242 -0.0034471 0.00214243 -0.00548848 30
8873 115 C 22.1422 42.2195 45.4783 -0.00094776 -0.0011238 -6.18855e-05 30
8874 116 C 21.6701 41.502 46.7357 0.00245362 0.00078954 -0.000832862 30
8875 117 C 21.815 42.3627 47.9772 0.00125193 6.2601e-05 -0.000617757 30
8876 118 C 20.8094 33.7795 34.5193 0.00381289 0.000190769 0.000770232 30
8877 119 C 21.7982 33.7072 35.7283 -0.00487692 0.000372976 -0.00202132 30
8878 120 C 21.1534 33.1391 36.9884 -0.00203058 -0.00300814 -0.000612731 30
8879 121 C 22.1183 33.2192 38.1921 -0.00311855 -0.00241463 0.00185764 30
8880 122 C 21.4152 32.6123 39.3992 0.00160257 0.00239393 0.000763664 30
8881 123 C 22.2471 32.3473 40.6541 0.00149158 -0.00217029 -0.00211081 30
8882 124 C 22.567 33.6227 41.4351 0.000582799 -0.00348705 -0.00119024 30
8883 125 C 22.1169 33.5542 42.9403 -0.00356716 0.00286723 -0.0028265 30
8884 126 C 22.9164 32.5742 43.7982 -0.00250133 0.00108202 0.00120284 30
8885 127 C 22.268 32.252 45.1303 0.000823548 -0.00144542 0.000100435 30
8886 128 C 22.3881 33.4282 46.1272 0.00138146 0.00153462 0.000711545 30
8887 129 C 21.696 33.0124 47.4186 0.00361818 -0.00195227 0.000889016 30
8888 130 F 20.019 39.2601 24.8704 -0.00115788 0.000326647 0.00206408 30
8889 131 H 21.831 41.6889 32.1771 -0.004225 -0.00166853 0.0150339 30
8890 132 H 22.0966 41.5455 29.8008 -0.00275511 -0.00878888 -0.0119001 30
8891 133 H 21.1791 39.7358 28.5095 -0.0151841 -0.00914661 -0.00268354 30
8892 134 H 14.7053 37.3702 31.1777 -0.00537136 0.00206297 -0.0114198 30
8893 135 H 15.172 37.3815 28.7556 -0.00289973 0.00695084 -0.00180314 30
8894 136 H 17.5033 37.335 27.9565 0.00488362 -0.0160367 0.00401592 30
8895 137 H 22.011 33.3099 32.2578 -0.0180624 -0.00212324 0.00523592 30
8896 138 H 22.3644 33.4319 29.8145 -0.00608899 -0.00835681 0.00787245 30
8897 139 H 21.3775 35.165 28.4851 0.00188787 0.000823529 -1.80581e-05 30
8898 140 H 24.107 36.0459 24.4898 0.0194215 0.0179862 -0.00924112 30
8899 141 H 22.7533 35.9468 26.4251 0.00683971 -0.0103278 -0.0100674 30
8900 142 H 22.3534 33.4684 19.5993 -0.00206278 0.00482285 0.00459538 30
8901 143 H 22.5576 33.4434 17.1673 0.00272433 0.00779555 -0.0165368 30
8902 144 H 23.3347 35.3475 20.9349 0.0115912 -0.0217282 0.00129684 30
8903 145 H 29.341 37.7635 20.307 0.0101953 0.00288096 -0.0140127 30
8904 146 H 29.6397 37.6664 17.7606 0.00264431 0.00797118 0.0011814 30
8905 147 H 27.1094 37.5499 21.3133 -0.00436073 -0.00111845 0.00305327 30
8906 148 H 22.5708 41.9762 19.2736 -0.0105533 -0.00155522 -0.0116057 30
8907 149 H 22.9603 41.838 16.858 0.00719848 -0.00620405 -0.0169562 30
8908 150 H 25.0888 37.5994 16.1221 0.0024057 -0.00709578 0.00374412 30
8909 151 H 23.3808 40.1652 20.7878 -0.00115873 -0.00177442 -0.0042274 30
8910 152 H 19.3221 37.3909 33.2857 -0.00603187 -0.00720955 0.00282488 30
8911 153 H 29.2002 36.7942 14.9918 0.00502198 -0.00345103 0.0166038 30
8912 154 H 28.4518 35.636 16.0494 -0.00708851 0.01619 0.0215402 30
8913 155 H 26.3051 35.8913 14.4558 -0.0034896 0.0167625 -0.00310306 30
8914 156 H 27.7379 35.1191 13.7841 -0.00573718 -0.00324462 0.00535772 30
8915 157 H 28.4309 37.0039 12.588 0.0038927 -0.0124191 0.00215457 30
8916 158 H 27.1914 38.0698 13.3279 0.00402377 0.000522896 0.00584201 30
8917 159 H 25.4118 36.6715 12.2241 0.00662465 -0.0054681 0.008856 30
8918 160 H 26.6533 35.6287 11.5206 -0.00993943 0.00128113 -0.00339049 30
8919 161 H 27.4879 38.0747 10.6706 -0.00250191 0.00130448 -0.00558507 30
8920 162 H 25.7873 38.4485 10.743 -0.00354887 0.0042508 0.00460704 30
8921 163 H 25.3297 36.3566 9.27604 -0.00016646 -0.0059443 0.00155339 30
8922 164 H 27.075 36.0631 9.13895 0.00208493 0.00443211 0.00281403 30
8923 165 H 27.14 38.4757 8.09724 -0.00352055 -0.00331687 0.00732457 30
8924 166 H 25.3784 38.3922 8.09457 -0.00113601 0.00231663 -0.0147851 30
8925 167 H 25.6859 36.1539 6.81527 0.0018772 -0.00508369 0.00129178 30
8926 168 H 27.3931 36.5762 6.57129 -0.00415111 -0.00498951 -0.00339187 30
8927 169 H 26.8804 38.5437 5.28133 0.0166549 -0.0119075 0.00396858 30
8928 170 H 25.1186 38.3834 5.66169 -0.00720084 -0.0135574 -0.0078626 30
8929 171 H 25.0932 36.2302 4.38461 -0.00202223 0.0075604 -0.00204216 30
8930 172 H 26.8143 36.3993 4.00813 -0.00632078 -0.0120714 -0.0089625 30
8931 173 H 26.4448 38.3238 2.52344 0.00408116 -0.00840707 -0.00493064 30
8932 174 H 24.8156 38.5249 3.07477 -0.000336965 0.000936029 -0.00511967 30
8933 175 H 25.7171 35.9548 1.77025 0.00715931 0.00400361 -0.00401093 30
8934 176 H 25.0212 37.3134 0.829244 0.00208074 -0.000277895 0.00404879 30
8935 177 H 24.0514 36.443 2.00139 -0.00171364 0.00125375 -0.00383005 30
8936 178 H 23.6397 33.4428 15.0713 0.00913795 0.00608148 0.0159957 30
8937 179 H 22.1816 34.384 14.9856 0.0031516 0.0150159 0.0126199 30
8938 180 H 23.6906 36.0153 13.3604 -0.00130736 0.00207293 0.006703 30
8939 181 H 24.6965 34.5026 13.2762 -0.00331213 -0.00737384 0.00821811 30
8940 182 H 22.5755 33.3583 12.4752 -0.00274159 -0.00119641 0.0107067 30
8941 183 H 21.7678 34.8956 12.4506 0.00167095 0.00260866 -0.00639326 30
8942 184 H 23.5387 35.768 10.7559 0.00691451 -0.00721607 -0.00572301 30
8943 185 H 24.1686 34.1346 10.7136 0.00586094 0.001593 0.00181656 30
8944 186 H 21.7455 33.3409 10.1325 0.0109931 0.000675879 0.00218063 30
8945 187 H 21.3438 35.0435 9.82027 -0.00249094 0.00188949 -0.0130565 30
8946 188 H 23.4562 33.4658 8.28712 0.000106214 0.00712442 0.00689863 30
8947 189 H 21.749 33.5507 7.80551 -0.00495858 -0.000928085 0.000589018 30
8948 190 H 21.9084 36.023 7.63969 0.0115095 0.0108002 -0.00151087 30
8949 191 H 23.6672 35.8461 8.07194 0.00382999 -0.0115523 0.00492493 30
8950 192 H 23.3404 36.3197 5.6799 -0.00504154 -0.00475889 -0.0027905 30
8951 193 H 24.228 34.8422 5.97707 0.00312696 0.00766661 -0.00573219 30
8952 194 H 22.4161 33.5025 5.29795 -0.0095483 -0.00062507 0.00792919 30
8953 195 H 21.1806 34.7028 5.59987 -0.000848616 -0.00711685 -0.000769612 30
8954 196 H 21.9358 36.0374 3.6949 0.0100034 0.0045099 0.014566 30
8955 197 H 23.2611 34.9233 3.34696 -0.00695425 -0.0103519 -0.00684773 30
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8957 199 H 20.2795 34.4367 3.37058 -0.00194097 -0.00208282 0.00435824 30
8958 200 H 20.384 34.183 0.992967 0.00412067 0.00461633 -0.00376063 30
8959 201 H 21.1853 35.715 1.40291 0.00260304 -0.00322259 0.00329233 30
8960 202 H 22.1548 34.2698 0.973417 0.00516434 -0.00594768 1.02754e-05 30
8961 203 H 25.6052 41.1682 15.1113 0.00428056 -0.00675977 0.0120959 30
8962 204 H 25.8967 39.3494 14.9657 -0.0132126 -0.0124172 -0.00395358 30
8963 205 H 24.7161 39.2657 12.9512 -0.00196917 -0.00233424 0.00673231 30
8964 206 H 24.043 40.9569 13.2385 -0.00203918 -0.00307999 0.00940451 30
8965 207 H 26.3459 41.7935 12.8791 0.00698012 -0.00119619 -0.00369529 30
8966 208 H 26.7933 40.1805 12.2712 0.0056889 0.00710139 0.00678932 30
8967 209 H 24.6473 40.4959 10.6915 -0.00525609 0.00268649 0.00319413 30
8968 210 H 24.7264 42.1459 11.1465 -0.00464648 -0.00413698 0.00108418 30
8969 211 H 27.1977 41.9494 10.1276 -0.00350769 -0.00366875 0.00259778 30
8970 212 H 26.6645 40.4549 9.44677 0.00698169 -0.00320233 0.00570255 30
8971 213 H 24.5526 41.9211 8.66734 0.000497961 0.00108637 -0.00174232 30
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8973 215 H 25.6467 43.0947 6.74725 -0.00483458 -0.00475799 0.00344238 30
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9045 287 H 20.6208 33.3134 39.6833 -0.00774214 -0.00952785 0.00393791 30
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9062 2 C 25.5969 33.8793 29.5564 -0.000766282 0.000524344 0.00378723 31
9063 3 C 25.054 32.8004 28.8997 -0.00438001 0.00134664 -0.00475923 31
9064 4 C 24.3153 31.8417 29.6095 -0.00110642 0.0022741 0.00177222 31
9065 5 C 24.1635 31.9438 31.0007 0.00545699 0.00267764 0.000782122 31
9066 6 C 24.7585 33.0118 31.716 0.00129901 0.00169549 -0.000743 31
9067 7 C 19.5462 30.6668 30.5104 -0.00297702 -5.45328e-05 0.00124717 31
9068 8 C 19.759 30.516 29.1419 -0.00267644 0.00148048 0.00567753 31
9069 9 C 21.0582 30.4822 28.609 0.00315054 0.00371019 0.00159648 31
9070 10 C 22.1434 30.672 29.4608 0.00192952 0.00111927 -0.00257328 31
9071 11 C 21.9308 30.7646 30.879 -0.0051257 -0.000407101 -0.00059572 31
9072 12 C 20.6342 30.7897 31.4191 0.000678229 -0.00109454 -0.00295217 31
9073 13 C 25.2955 27.5215 31.4879 -0.00358065 0.000382876 0.00143116 31
9074 14 C 25.5355 27.4762 30.1413 5.48529e-05 -0.000749617 -0.00591518 31
9075 15 C 25.0017 28.4595 29.27 -0.001177 0.00106812 -0.00232492 31
9076 16 C 24.2243 29.4799 29.8058 -0.0043531 -0.00307524 0.00262713 31
9077 17 C 23.6086 30.6277 28.9878 0.00472941 0.000877529 6.37146e-05 31
9078 18 O 24.195 28.4994 33.3633 0.000375686 0.000726755 0.00193097 31
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9080 20 O 24.5406 33.1294 33.0689 -0.00165737 0.00068526 0.000118432 31
9081 21 C 24.4569 28.5124 32.0084 0.00133272 0.00324528 0.00174154 31
9082 22 C 23.812 30.5224 27.5423 -0.00068361 -0.0030292 0.0021478 31
9083 23 C 24.2957 30.5646 26.4177 -0.00138097 -0.00338044 0.00426355 31
9084 24 C 25.0961 30.6759 25.239 0.00523496 -0.00163875 0.000179767 31
9085 25 C 24.9075 31.7188 24.3159 0.000462337 0.000268288 -0.000790103 31
9086 26 C 25.7957 31.9146 23.2468 -0.00273623 -0.00259209 0.00273904 31
9087 27 C 26.9093 31.0467 23.1226 -0.00208983 -0.00330217 0.00844528 31
9088 28 C 27.1481 30.0251 24.0563 0.000499201 -0.00100354 -0.00368255 31
9089 29 C 26.2386 29.8517 25.1093 0.00190625 -0.0006198 -0.00442576 31
9090 30 C 27.7541 31.1207 21.9732 -0.00261151 0.00196908 -0.00151824 31
9091 31 C 28.271 31.0788 20.88 0.00139488 -0.000802926 -0.000733603 31
9092 32 C 27.6365 27.3125 19.0729 0.000349824 -0.00166068 4.5836e-05 31
9093 33 C 27.9789 27.1644 17.7196 0.000141668 -0.00192736 0.00201209 31
9094 34 C 28.374 28.2471 16.9025 0.00155683 -0.00301286 -0.000964176 31
9095 35 C 28.4106 29.5424 17.4862 -0.00162178 -0.00130216 -0.00158024 31
9096 36 C 28.1863 29.6772 18.9071 -0.00193533 0.00550728 0.00114568 31
9097 37 C 27.7489 28.55 19.6487 7.03296e-05 -0.00122646 -0.00449402 31
9098 38 C 28.5796 31.0335 19.472 -0.00228773 0.00148028 0.00128631 31
9099 39 C 32.4523 31.0869 19.2463 -0.00369377 -0.00152412 -0.00119125 31
9100 40 C 32.5689 31.1808 17.854 0.00264326 0.00558593 0.00274303 31
9101 41 C 31.4472 31.2588 17.0181 -0.00412095 -0.000612267 -0.00166471 31
9102 42 C 30.1972 31.1181 17.6132 -0.00208014 0.00308037 0.00247398 31
9103 43 C 30.0342 31.1214 19.0225 -0.00758281 -8.32419e-05 0.00104069 31
9104 44 C 31.1543 31.0788 19.8537 0.00278399 2.74889e-05 -0.00465846 31
9105 45 C 26.5047 34.1173 18.2933 0.00148407 0.000382833 0.00423021 31
9106 46 C 26.6298 33.9252 16.9052 0.00353601 -0.00399438 0.00203484 31
9107 47 C 27.436 32.8896 16.4047 0.000444777 -0.00100742 -0.000805946 31
9108 48 C 28.0374 31.9491 17.2843 -0.000586109 0.00808262 0.00137221 31
9109 49 C 28.9547 30.8106 16.8179 0.00142157 0.00636102 0.00102089 31
9110 50 C 27.8623 32.0958 18.6558 -0.00139759 0.00693284 0.000383083 31
9111 51 C 27.1714 33.2048 19.1671 0.00118487 -0.000446014 0.00326495 31
9112 52 O 31.5994 31.6344 15.7374 0.00182482 -0.000515715 -0.00121724 31
9113 53 O 28.7156 28.0409 15.5682 -0.000175414 -0.00226828 -0.00490564 31
9114 54 O 27.4246 32.698 15.0778 -0.000426419 0.00206621 0.00244488 31
9115 55 C 23.2772 30.798 31.634 -0.00197449 0.00283417 -0.000479715 31
9116 56 C 23.9977 29.5278 31.1826 0.00116414 -0.00148973 -0.00454824 31
9117 57 C 31.3972 30.7998 14.5885 -0.000182396 -0.00158339 -0.00497446 31
9118 58 C 30.6979 31.6571 13.5196 -0.000267216 -1.57795e-05 0.00178421 31
9119 59 C 30.6055 31.1226 12.0254 0.000485198 0.00193024 0.00530111 31
9120 60 C 30.0262 29.73 11.7855 0.00480246 0.00310705 0.000388731 31
9121 61 C 29.5249 29.4741 10.3433 0.00307917 0.00310002 -0.00556912 31
9122 62 C 30.3874 30.0304 9.17646 0.00187676 0.000785589 0.00372096 31
9123 63 C 29.7196 29.7272 7.78157 -0.000834234 -0.00297715 -0.000756533 31
9124 64 C 30.4677 30.3233 6.57955 -0.000306036 -0.00117331 -0.00156245 31
9125 65 C 29.6372 30.0196 5.30608 0.000448819 -0.00311779 0.00233696 31
9126 66 C 30.4492 30.18 3.97117 -0.0037765 0.000636551 -0.000114304 31
9127 67 C 29.5411 29.8541 2.75947 -0.00262535 -9.92282e-05 -0.000869246 31
9128 68 C 30.3833 29.8054 1.44655 0.0017671 -0.000649529 -0.000855044 31
9129 69 F 25.6304 32.9907 22.4164 0.000788604 0.000276497 -0.00146197 31
9130 70 C 29.2138 26.7705 15.1471 -0.00378255 -0.0012189 -0.000107836 31
9131 71 C 29.5046 26.7109 13.6532 0.00274188 7.94109e-05 -0.00171219 31
9132 72 C 30.2086 25.3877 13.395 0.00317198 0.000308261 0.000693124 31
9133 73 C 30.2221 24.8785 11.9456 -0.0021281 0.00482811 0.00261152 31
9134 74 C 30.0999 25.8964 10.7994 -0.00219017 0.000202265 -0.00200279 31
9135 75 C 30.2408 25.1343 9.41631 -0.000573774 -0.00302856 0.000163779 31
9136 76 C 30.0838 26.0237 8.22319 0.0023895 -0.00319802 0.00432643 31
9137 77 C 30.3507 25.2654 6.88943 0.00355514 0.000208792 0.00343193 31
9138 78 C 30.1474 26.1378 5.63121 0.00392535 -0.00224331 -0.000927273 31
9139 79 C 30.5137 25.362 4.3197 0.00164773 -0.00269718 -0.00165685 31
9140 80 C 30.3815 26.1574 3.02396 0.00276165 -0.000758143 -0.00113827 31
9141 81 C 30.9001 25.3829 1.79018 0.00631581 0.00495135 0.000758424 31
9142 82 C 26.4703 31.7943 14.5757 -0.00598266 -0.00145881 -0.00248101 31
9143 83 C 26.8323 31.4533 13.1302 -0.00172694 0.00010292 0.00114425 31
9144 84 C 26.5176 32.5394 12.0767 0.000148972 0.000672124 0.00127768 31
9145 85 C 26.9292 32.0117 10.6725 0.00197724 -0.00197629 -0.000286817 31
9146 86 C 26.3168 32.8375 9.52642 -0.000929311 -0.0015376 0.00318585 31
9147 87 C 26.7587 32.3395 8.15454 0.0036172 -0.00116339 3.33969e-05 31
9148 88 C 26.5657 33.4235 7.07741 0.00224658 0.00147475 -0.00053378 31
9149 89 C 26.7804 33.0172 5.58806 0.000906173 0.000239839 0.000748772 31
9150 90 C 25.7956 31.9704 5.04728 0.000798679 -0.00118196 -0.00529932 31
9151 91 C 25.8073 31.8833 3.46708 -0.00319326 -0.00230421 0.00345058 31
9152 92 C 24.966 33.0363 2.85537 -0.00547136 0.00259756 -0.000875423 31
9153 93 C 25.0561 33.0828 1.32057 0.00168383 -0.00201204 0.00142241 31
9154 94 C 19.1336 31.0365 33.3151 0.0006539 0.00257013 0.000324931 31
9155 95 C 19.0092 30.8857 34.8531 0.000371159 0.00220228 0.00705785 31
9156 96 C 17.5768 30.827 35.4901 0.000147888 -0.00329562 -0.000246606 31
9157 97 C 17.5522 30.4656 37.0022 -0.000236339 -5.34175e-05 -0.00289419 31
9158 98 C 17.9184 31.5116 38.1069 -0.00398586 -0.00248039 -0.000794961 31
9159 99 C 17.8806 30.7489 39.4647 -0.00261858 0.00352245 -0.0036392 31
9160 100 C 18.1147 31.5915 40.7194 -0.00576102 0.00221102 0.000988259 31
9161 101 C 17.9722 30.6832 41.9381 0.00124959 -0.00160436 -0.00228897 31
9162 102 C 18.2021 31.258 43.3403 -0.00379188 -0.00518355 -0.000599448 31
9163 103 C 18.2608 30.0892 44.3781 0.00643856 -4.4464e-05 -0.00175708 31
9164 104 C 18.5064 30.5714 45.8398 -0.00127735 0.000801038 0.00182656 31
9165 105 C 17.2008 30.9663 46.5638 -0.00308551 -0.000959061 -0.00135276 31
9166 106 C 24.3769 34.453 33.6398 -1.85332e-07 0.00160675 -0.00386594 31
9167 107 C 25.4625 34.7097 34.6892 0.00348957 0.000936221 -6.099e-05 31
9168 108 C 24.9629 34.6662 36.1472 0.00160412 0.0051946 0.00279162 31
9169 109 C 25.8348 35.4344 37.1373 -0.00168864 -0.00163118 -0.00429133 31
9170 110 C 25.5313 35.1028 38.5876 0.00234957 -0.00304441 -0.00205924 31
9171 111 C 26.2798 36.0678 39.5553 -0.000917223 0.00266311 -0.00159635 31
9172 112 C 25.7134 36.0218 40.9554 -0.00213187 -0.00238517 -0.00108887 31
9173 113 C 26.2728 34.8075 41.7477 0.000723668 0.000598729 -0.000492548 31
9174 114 C 25.7751 34.69 43.1946 -0.00235428 -0.00755311 -0.00453234 31
9175 115 C 26.3779 35.7762 44.1518 -0.00226165 -0.00095529 -0.00551298 31
9176 116 C 26.1624 35.3802 45.6562 -0.00127811 0.000903531 0.00109841 31
9177 117 C 26.5454 36.5784 46.5349 -0.00375249 -2.63655e-05 0.00111893 31
9178 118 C 23.9503 27.2482 34.0193 0.00178015 -0.00424202 -0.00215601 31
9179 119 C 25.0825 26.766 34.9924 -0.00153267 0.00216104 0.00191343 31
9180 120 C 24.6316 26.782 36.4886 0.00253643 -0.000643016 -0.000730937 31
9181 121 C 25.5324 26.0637 37.5554 0.00257258 -0.00208826 -0.000186303 31
9182 122 C 24.8955 26.164 38.9562 -0.00312462 -0.00476358 -0.00386867 31
9183 123 C 25.7268 25.6941 40.1675 -0.000408845 -0.000353211 0.0036237 31
9184 124 C 25.0495 26.0131 41.5438 -0.000390428 0.00133856 0.000441751 31
9185 125 C 26.0096 25.7704 42.6956 -0.00352253 0.00069924 0.00346071 31
9186 126 C 25.4403 26.1077 44.1305 -0.002805 0.00182767 0.0025077 31
9187 127 C 26.3992 25.675 45.2854 0.000776513 -0.00323957 -0.00249719 31
9188 128 C 25.8372 26.0443 46.6911 0.00241678 0.000557442 -0.00126023 31
9189 129 C 26.1004 27.5163 47.0609 0.00266094 -0.00161021 0.000736995 31
9190 130 F 23.8638 32.5799 24.5184 0.00133999 0.000993914 -0.000371103 31
9191 131 H 25.9516 34.8267 31.4631 -0.0034518 0.000613371 0.00797948 31
9192 132 H 26.1199 34.6387 28.9827 0.00685746 -0.00232856 0.00696115 31
9193 133 H 25.1529 32.7286 27.8206 -0.00113593 -0.0107842 -0.00366297 31
9194 134 H 18.5266 30.6349 30.8829 -0.000211733 -0.0166409 0.00740759 31
9195 135 H 18.9204 30.3566 28.4705 0.00718562 0.00452566 -0.00737574 31
9196 136 H 21.1915 30.3673 27.5374 0.000528384 0.012187 0.000356133 31
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9198 138 H 26.1841 26.7038 29.7387 -0.00418445 -0.00234476 -0.00968846 31
9199 139 H 25.2981 28.5137 28.2266 -0.00919758 -0.00236849 -0.00476735 31
9200 140 H 28.0082 29.3673 23.9735 -0.00321122 -0.00819753 0.0147418 31
9201 141 H 26.4225 29.049 25.8174 0.00896841 -0.0039478 -0.0100215 31
9202 142 H 27.3766 26.4313 19.652 -0.0077065 0.000875301 0.000273535 31
9203 143 H 27.9956 26.1429 17.3514 -0.0172942 0.00104338 -0.0069765 31
9204 144 H 27.5057 28.6496 20.7024 -0.00140252 -0.00960594 -0.00405256 31
9205 145 H 33.3584 31.0046 19.8391 -0.00518927 -0.00364201 0.000798571 31
9206 146 H 33.5448 31.2838 17.3888 -0.00291865 -0.000645871 -0.0103118 31
9207 147 H 31.0763 30.9571 20.9301 0.00766625 -0.0133263 -0.00579598 31
9208 148 H 25.9561 34.9642 18.6947 0.00864206 0.00581955 0.00254385 31
9209 149 H 26.2347 34.6683 16.2188 -0.00195281 -0.00595725 0.00309127 31
9210 150 H 29.0524 30.6985 15.731 -0.00903039 -0.00267621 0.00100302 31
9211 151 H 27.1469 33.3475 20.2434 -0.000933614 0.024809 -0.000157958 31
9212 152 H 23.1067 30.8406 32.7168 0.0128016 0.00457292 0.00175391 31
9213 153 H 32.3939 30.4311 14.3166 0.00200264 -0.00931531 0.0133832 31
9214 154 H 30.7913 29.9201 14.8386 -0.0028424 0.00146571 -0.000706924 31
9215 155 H 31.2891 32.5775 13.4379 -0.00232063 0.0019127 0.00873865 31
9216 156 H 29.7235 31.9539 13.9267 -0.00334227 -0.00774814 6.05954e-05 31
9217 157 H 31.5847 31.2313 11.5428 -0.00013242 -0.00711624 0.00208444 31
9218 158 H 29.9579 31.8365 11.5018 -0.0025704 -0.00659681 -0.00253652 31
9219 159 H 29.1929 29.4964 12.4595 0.00785734 -0.0055751 0.00115793 31
9220 160 H 30.8306 29.0007 11.9419 -0.00127635 -0.00318855 0.00226365 31
9221 161 H 28.5104 29.8657 10.1992 0.000850119 -0.00797484 -0.0201134 31
9222 162 H 29.4278 28.385 10.2548 -0.00350985 0.00309724 0.00158042 31
9223 163 H 31.3739 29.552 9.21506 -0.000150707 -0.00381646 -0.00138024 31
9224 164 H 30.5293 31.1176 9.21276 0.0070767 0.000427967 -0.00529606 31
9225 165 H 28.7245 30.181 7.86665 0.00107123 -0.000797852 0.0103024 31
9226 166 H 29.5854 28.6433 7.67938 -0.0066607 -0.00292022 0.00618655 31
9227 167 H 31.4709 29.8873 6.49633 0.00177971 0.002189 0.00595706 31
9228 168 H 30.5899 31.4064 6.7035 -0.00107278 -0.00132703 0.000535179 31
9229 169 H 28.721 30.6227 5.29041 0.00155416 -0.00146918 0.00121223 31
9230 170 H 29.2975 28.9766 5.31633 0.012271 -0.00677951 0.0193317 31
9231 171 H 31.3022 29.4911 4.00632 -0.00951311 -0.00632683 0.00290903 31
9232 172 H 30.825 31.2105 3.95696 0.00211692 -0.00152111 -0.000552699 31
9233 173 H 28.7582 30.6185 2.68019 0.00202042 0.00469481 -0.000519163 31
9234 174 H 29.002 28.9181 2.95097 -0.00331195 0.00169295 0.00602082 31
9235 175 H 30.7079 30.7904 1.08916 0.000265684 0.00126954 0.00310147 31
9236 176 H 29.8708 29.3679 0.580921 -0.0224883 -0.00905957 0.0178261 31
9237 177 H 31.3223 29.2676 1.62713 0.000733863 -0.00195738 0.000606299 31
9238 178 H 30.0515 26.4647 15.786 -0.00129135 -0.00678751 -0.00605722 31
9239 179 H 28.449 26.0119 15.3542 -0.00525782 0.000454203 0.000574867 31
9240 180 H 28.5895 26.7906 13.0534 0.00221058 0.0041066 -0.000366103 31
9241 181 H 30.1404 27.5622 13.3805 -0.00088142 0.00400611 0.00207928 31
9242 182 H 31.2421 25.4814 13.7508 0.00350615 -0.00637087 0.00145195 31
9243 183 H 29.7331 24.5968 13.988 0.00131611 -0.00639891 -0.00972103 31
9244 184 H 31.0859 24.2144 11.818 -0.0055381 0.000821822 0.000296784 31
9245 185 H 29.3862 24.1847 11.7926 -0.00985168 0.0160705 -0.00614967 31
9246 186 H 29.1349 26.4087 10.8979 -0.00330091 -0.00319171 0.00480241 31
9247 187 H 30.864 26.6766 10.9037 -0.00172208 -0.000516415 -5.99075e-05 31
9248 188 H 31.2241 24.6481 9.4242 -3.46586e-05 -0.00208418 -0.0131836 31
9249 189 H 29.4813 24.3427 9.41072 -0.00982809 0.0058655 -0.0020624 31
9250 190 H 29.0568 26.4074 8.18636 -0.000483324 -0.0115679 -0.00325932 31
9251 191 H 30.8105 26.8358 8.3489 0.00152708 -0.0010197 -0.00480274 31
9252 192 H 31.3932 24.9341 6.9729 0.0045924 0.00508493 0.0100898 31
9253 193 H 29.6925 24.3903 6.82296 0.00926445 -0.00409472 0.00362072 31
9254 194 H 29.0928 26.4392 5.65217 0.00481913 0.000325298 0.00750999 31
9255 195 H 30.8152 27.0076 5.66016 0.00623082 -0.00382885 -0.00596362 31
9256 196 H 31.521 24.9679 4.50254 0.00349362 0.00175953 -0.00227815 31
9257 197 H 29.895 24.4582 4.25872 -0.011498 0.00589546 0.00453867 31
9258 198 H 29.3541 26.5225 2.90385 -0.000877749 -0.00919135 0.00434966 31
9259 199 H 31.0402 27.0205 3.18041 0.0104767 -0.00596527 -0.00483707 31
9260 200 H 31.9238 25.0077 1.9111 0.00919392 0.0180811 0.0171013 31
9261 201 H 30.2024 24.5722 1.54653 0.00955439 0.00305106 -0.00217283 31
9262 202 H 30.9255 26.0584 0.926162 -0.00632199 -0.0106075 -0.0117798 31
9263 203 H 26.4479 30.8835 15.1867 -0.00914826 0.00269414 0.00360404 31
9264 204 H 25.4718 32.2464 14.6217 -0.00739385 -0.00497215 0.00149318 31
9265 205 H 27.8986 31.2001 13.0836 0.00075609 0.00950175 0.00655807 31
9266 206 H 26.2157 30.5799 12.8848 -0.015866 0.012184 -0.00646742 31
9267 207 H 25.4389 32.735 12.0378 -0.00270802 -0.0140692 0.00635571 31
9268 208 H 27.0483 33.4365 12.4188 -0.00412215 -0.00136411 0.0133555 31
9269 209 H 28.0211 32.0714 10.586 0.00223713 0.0132986 0.0132317 31
9270 210 H 26.5738 30.9826 10.5383 -0.00272889 -0.000487693 0.000717201 31
9271 211 H 25.2391 32.6406 9.58355 -0.00538007 0.0242912 0.00717001 31
9272 212 H 26.5353 33.9053 9.65026 -0.00266363 -0.00318772 0.0204291 31
9273 213 H 27.8281 32.1019 8.21223 0.00376325 0.000268721 0.00326539 31
9274 214 H 26.2154 31.4068 7.95915 0.00889263 -0.00682702 0.0122669 31
9275 215 H 25.5352 33.7737 7.21455 0.00307489 -0.00258258 0.0161588 31
9276 216 H 27.1902 34.2886 7.33216 0.000856166 0.0011994 0.00381689 31
9277 217 H 26.6484 33.8994 4.94963 -0.00995756 -0.00100111 0.00124016 31
9278 218 H 27.7977 32.6204 5.48285 0.000527622 0.00741054 -0.029529 31
9279 219 H 25.8662 30.9717 5.49549 0.00339565 -0.00100138 -0.00532428 31
9280 220 H 24.7897 32.3069 5.32742 0.00618914 0.00628567 0.0050267 31
9281 221 H 26.8234 32.0091 3.07311 -0.00523378 -0.000591105 -0.00128444 31
9282 222 H 25.4437 30.9073 3.12254 -0.00565416 -4.66767e-05 -0.000341878 31
9283 223 H 23.9059 32.9006 3.10263 -0.000857758 -0.00162235 0.0165121 31
9284 224 H 25.2761 33.9721 3.33657 0.00520286 -0.00117643 -0.000403485 31
9285 225 H 24.3842 33.7801 0.805097 -0.0115561 -0.00642081 0.0128017 31
9286 226 H 26.0668 33.3927 1.02755 -0.00243286 0.00640612 -0.00388481 31
9287 227 H 24.8922 32.0577 0.96607 0.0104154 -0.000281795 -0.00759301 31
9288 228 H 18.8706 32.0654 33.0404 -0.00234583 0.00339966 0.00628648 31
9289 229 H 18.4172 30.3453 32.8541 -0.00309243 0.00723563 -0.00084843 31
9290 230 H 19.3821 29.8933 35.1348 -0.0172535 -0.00412867 0.00823931 31
9291 231 H 19.6171 31.6438 35.3621 0.000636977 0.000319179 0.00954567 31
9292 232 H 16.9204 31.6704 35.2427 0.00458004 -0.00423232 -0.0151609 31
9293 233 H 17.0219 30.0227 34.9914 0.0120154 -0.00718458 -0.00716261 31
9294 234 H 16.5572 30.066 37.2339 0.00353674 -0.00927128 -0.00263874 31
9295 235 H 18.3109 29.6785 37.0928 -0.00418777 -0.00387797 -0.0031587 31
9296 236 H 18.9206 31.924 37.9368 -0.00884698 0.0098939 0.000526837 31
9297 237 H 17.242 32.3751 38.1211 -0.0133473 -0.00969252 -0.00909221 31
9298 238 H 16.8833 30.3055 39.5749 0.000439021 -0.000426626 0.00818289 31
9299 239 H 18.5932 29.9157 39.4266 -0.00822889 -0.00158811 0.003169 31
9300 240 H 19.1144 32.0426 40.694 -0.012294 0.016105 -0.009791 31
9301 241 H 17.385 32.4098 40.7571 -0.00436272 0.00415994 -0.0140928 31
9302 242 H 16.972 30.2424 41.8452 -0.00275606 0.00696353 0.000284025 31
9303 243 H 18.6697 29.8462 41.8101 0.00696009 0.00390414 -0.00712935 31
9304 244 H 19.1467 31.8155 43.3251 -0.00287411 -0.00728805 -0.0222555 31
9305 245 H 17.3695 31.9197 43.6091 -0.00497284 -0.00941842 0.00620468 31
9306 246 H 17.3753 29.443 44.3377 -0.000968665 0.0093627 0.00995684 31
9307 247 H 19.1374 29.5091 44.064 0.00864973 0.00425484 -0.00356316 31
9308 248 H 18.9111 29.7488 46.4421 0.0174758 0.00483731 -0.00531972 31
9309 249 H 19.2231 31.4009 45.8806 0.00897069 -0.00873285 0.0157235 31
9310 250 H 16.5832 31.513 45.8405 -0.000605294 0.00353529 -7.34674e-05 31
9311 251 H 16.6653 30.0579 46.8663 -0.0111195 0.00298211 -0.00375032 31
9312 252 H 17.3867 31.6232 47.4225 0.00283349 0.000759832 -0.00394827 31
9313 253 H 24.4251 35.1895 32.8282 0.00701491 -0.00230816 -0.00700564 31
9314 254 H 23.3729 34.5638 34.0678 -0.00336579 -0.00184621 -0.0108571 31
9315 255 H 26.2759 33.9889 34.54 0.00800509 0.00942063 -0.0164056 31
9316 256 H 25.9119 35.6971 34.5265 0.000801326 0.00112108 -0.00631264 31
9317 257 H 23.9916 35.1755 36.171 0.00283553 0.00759217 0.00173365 31
9318 258 H 24.7762 33.6373 36.4785 0.00299599 0.00249571 -0.00481401 31
9319 259 H 26.9074 35.2369 37.019 -0.00361245 -0.0112654 -0.00553944 31
9320 260 H 25.758 36.5169 36.977 0.00336935 0.000534214 0.00776385 31
9321 261 H 24.4581 35.237 38.7705 0.00152475 0.00207525 -0.0106831 31
9322 262 H 25.7636 34.0561 38.8195 0.00646525 -0.000691905 0.00445112 31
9323 263 H 27.345 35.8062 39.5342 -0.00152175 0.000213971 -0.00190319 31
9324 264 H 26.1621 37.0918 39.18 0.0149647 0.00484061 -0.000613634 31
9325 265 H 26.0139 36.9677 41.4227 -0.0185697 0.00499206 -0.00548073 31
9326 266 H 24.6204 35.9462 40.8989 -0.00181485 -0.00553995 -0.00306191 31
9327 267 H 26.0042 33.8998 41.1933 -0.000974145 -0.002327 0.00513093 31
9328 268 H 27.3685 34.8412 41.7872 0.00108972 -0.0153574 0.00318778 31
9329 269 H 24.6859 34.8185 43.2177 -0.00200875 -0.00721618 0.0100386 31
9330 270 H 26.0603 33.7102 43.5972 0.00531864 0.00135256 0.0117823 31
9331 271 H 27.4561 35.8262 43.9563 -0.00133732 0.00122758 0.000170385 31
9332 272 H 25.9712 36.7782 43.9676 0.0149711 0.00483209 -0.0121047 31
9333 273 H 25.1167 35.0797 45.796 0.00234068 -0.00933632 0.00623159 31
9334 274 H 26.7232 34.4725 45.911 0.00359583 0.000908571 -0.00961455 31
9335 275 H 26.4821 36.2495 47.5795 0.0120286 -0.00149532 0.00161322 31
9336 276 H 27.5861 36.8433 46.3109 0.00237215 -0.0141485 0.0127915 31
9337 277 H 25.8755 37.4359 46.3959 -0.000269091 0.00125638 -0.00771448 31
9338 278 H 23.0026 27.2631 34.5716 0.00238842 -0.00692563 -0.00103172 31
9339 279 H 23.7903 26.4491 33.2849 0.00369657 0.00211727 -0.00946992 31
9340 280 H 25.9371 27.4493 34.913 -0.00210903 0.00381302 0.00966926 31
9341 281 H 25.4235 25.7687 34.6881 -0.00256034 0.00657893 -0.0137327 31
9342 282 H 23.6212 26.3547 36.4901 0.00276622 -0.00124608 -0.00796213 31
9343 283 H 24.5177 27.8308 36.7892 -0.0180253 -0.00414845 0.00369717 31
9344 284 H 26.5113 26.5502 37.647 0.00610714 -0.0108517 0.00870428 31
9345 285 H 25.6906 25.0045 37.3177 -0.0223333 -0.00564613 -0.000906467 31
9346 286 H 23.9379 25.6375 39.0521 -0.00782697 0.00539456 0.00520344 31
9347 287 H 24.7033 27.2228 39.1693 -0.00781625 -0.00511154 -0.00640255 31
9348 288 H 26.7123 26.1704 40.0931 -0.00191789 0.00223996 0.000221019 31
9349 289 H 25.9273 24.6185 40.0885 -0.00192474 -0.00036128 -0.000104288 31
9350 290 H 24.1224 25.4268 41.5338 -0.00557039 0.00949829 0.00400143 31
9351 291 H 24.8028 27.0817 41.5195 0.00150085 0.00187135 0.00489325 31
9352 292 H 26.9506 26.3218 42.5775 -0.000238571 -0.00358866 0.00944749 31
9353 293 H 26.2925 24.7108 42.6726 -0.000451365 0.00164537 -0.00223049 31
9354 294 H 24.454 25.6407 44.2425 -0.00540922 0.00823188 0.00627086 31
9355 295 H 25.2708 27.1911 44.1599 0.00733044 0.00326245 0.00783579 31
9356 296 H 27.3891 26.1314 45.1619 0.00246509 -0.00898271 -0.0100752 31
9357 297 H 26.4302 24.5824 45.1919 0.00440748 -0.00244113 -0.0106223 31
9358 298 H 26.3288 25.4224 47.4493 -0.0200407 -0.00819953 0.00611273 31
9359 299 H 24.7653 25.8141 46.7294 -0.00021377 0.0114656 -0.0092293 31
9360 300 H 27.165 27.7271 46.901 0.00375473 -0.0169955 -0.0124066 31
9361 301 H 25.9104 27.6396 48.1343 0.00192021 0.00355501 6.29968e-06 31
9362 302 H 25.3996 28.1323 46.484 0.00571611 -0.00361217 -0.00510987 31
9363 1 C 29.3204 40.8188 31.3583 -0.00532915 -0.00199641 -0.00306685 32
9364 2 C 29.3441 40.7395 29.9504 -0.00500001 0.00199289 -0.00237374 32
9365 3 C 28.7204 39.6946 29.317 -0.00532172 0.00531325 0.000405872 32
9366 4 C 28.1456 38.6378 30.0273 -0.00409898 0.00333892 0.00164594 32
9367 5 C 28.0701 38.6991 31.4629 -0.00133759 -0.00127718 0.00460788 32
9368 6 C 28.6414 39.8191 32.1508 0.00273288 0.000318635 0.00120461 32
9369 7 C 23.5241 37.4532 30.9606 0.00109769 0.00292842 -0.00300318 32
9370 8 C 23.6433 37.3971 29.5836 -0.000621548 0.00559731 -0.00293109 32
9371 9 C 24.9259 37.3432 29.0049 -0.000536467 -0.00170561 0.00287907 32
9372 10 C 26.0673 37.3581 29.8414 -0.00302879 -0.00239649 0.000543814 32
9373 11 C 25.9127 37.4272 31.2579 0.00178148 -0.000883868 -0.00193144 32
9374 12 C 24.609 37.512 31.8043 0.00289127 0.00332469 0.0021438 32
9375 13 C 29.3314 34.2067 31.489 0.00178448 -0.00604869 0.00108048 32
9376 14 C 29.5112 34.2526 30.1118 3.66849e-05 -0.0025647 -0.00074917 32
9377 15 C 28.9604 35.2749 29.3825 0.000766343 -0.000642482 0.000396958 32
9378 16 C 28.1637 36.2257 30.0652 0.00231108 0.000661004 0.00101503 32
9379 17 C 27.5036 37.3927 29.3689 0.000541623 -0.00125908 -0.000859065 32
9380 18 O 28.4304 34.9579 33.5968 -0.0032291 0.00427582 0.00285312 32
9381 19 O 24.3894 37.5261 33.1751 -0.0019829 -0.00348249 -0.00189361 32
9382 20 O 28.5324 39.9735 33.5613 -0.00159834 0.00277272 -0.00606652 32
9383 21 C 28.5912 35.1608 32.2174 -0.00186167 -0.000417001 -1.70896e-05 32
9384 22 C 27.7911 37.3975 27.9399 0.00210504 -0.00234658 -0.000351082 32
9385 23 C 28.146 37.3524 26.7737 0.00197957 -0.00273922 -0.000847341 32
9386 24 C 28.7349 37.3479 25.4558 0.00730924 -0.00250133 -0.00186424 32
9387 25 C 29.1769 38.5702 24.8987 0.00434718 0.00319936 -0.00171273 32
9388 26 C 30.0364 38.5337 23.7799 -0.00329317 0.00378422 -0.000560346 32
9389 27 C 30.4533 37.289 23.2147 0.002862 0.000896841 -0.00349471 32
9390 28 C 29.9336 36.0816 23.7172 0.00524932 -0.00260878 -0.00276749 32
9391 29 C 29.1311 36.1276 24.8624 -0.00166658 0.00178864 0.00128894 32
9392 30 C 31.3472 37.2564 22.0774 -0.000393742 -0.000957279 0.00061083 32
9393 31 C 31.9732 37.3546 21.046 0.00688068 -0.00106495 0.00033026 32
9394 32 C 30.404 34.5169 18.2816 4.413e-05 0.0017636 0.00748979 32
9395 33 C 30.6335 34.6657 16.8992 -0.00342995 0.000353372 0.00478595 32
9396 34 C 31.4548 35.7228 16.4532 -0.00220315 0.00195106 0.00338061 32
9397 35 C 32.0173 36.5718 17.4024 -0.000877006 -0.00196452 -0.00354247 32
9398 36 C 31.7575 36.461 18.7831 0.00242124 -0.000778199 5.51672e-05 32
9399 37 C 30.9504 35.4015 19.2217 0.00494332 0.00163355 0.000921944 32
9400 38 C 32.4094 37.5604 19.6487 -3.43832e-05 -0.000626641 -0.000719241 32
9401 39 C 36.3005 37.4911 19.7386 -0.00464674 0.00407987 -0.00143181 32
9402 40 C 36.5466 37.5428 18.3579 -0.00314363 -0.00148543 0.00161943 32
9403 41 C 35.4949 37.5539 17.4502 -0.00251423 0.0038813 0.00149938 32
9404 42 C 34.1791 37.5445 17.9432 -0.00227774 -0.0012171 0.000574641 32
9405 43 C 33.9029 37.4541 19.3155 -0.00104307 0.00265142 0.00126011 32
9406 44 C 34.9854 37.4359 20.2142 -0.0030104 0.00459422 0.00300485 32
9407 45 C 30.7968 41.0414 18.957 0.00234579 -0.00175117 0.00195168 32
9408 46 C 30.9939 41.0765 17.574 -0.00328303 0.00105081 0.00376022 32
9409 47 C 31.6886 40.0273 16.9025 -0.000241156 0.00182951 2.10802e-05 32
9410 48 C 32.1634 38.9466 17.6511 0.000439211 0.00242394 0.00336242 32
9411 49 C 32.9473 37.7405 17.071 0.00450374 0.000509301 -0.0021336 32
9412 50 C 31.9462 38.8865 19.0406 0.00110446 -0.00367691 -0.00208746 32
9413 51 C 31.2352 39.9425 19.6798 0.00430019 0.000254204 0.00115316 32
9414 52 O 35.756 37.5428 16.0808 0.0020881 -0.0013457 0.00243966 32
9415 53 O 31.6737 36.0496 15.1231 0.000569977 0.000202797 -0.00223283 32
9416 54 O 31.6892 39.9563 15.5011 -0.000199282 -0.00133295 -0.00208921 32
9417 55 C 27.263 37.4674 32.0397 -0.0045354 -0.000589078 -0.000249053 32
9418 56 C 27.9852 36.2101 31.4985 0.00280361 -0.000519314 -0.00444117 32
9419 57 C 35.6339 36.2851 15.4294 0.000133283 0.00360646 -0.00046256 32
9420 58 C 36.2881 36.2555 14.0269 -0.000774534 -0.000118624 0.00335318 32
9421 59 C 35.4068 36.7408 12.8607 0.00140525 -0.000823913 -0.00142377 32
9422 60 C 35.8378 36.2954 11.4779 -0.000693182 -0.00174759 -0.00253904 32
9423 61 C 34.9053 36.8766 10.4227 -0.000754683 -0.00374172 -0.00339039 32
9424 62 C 35.1586 36.3725 8.96551 0.00178841 -0.000245428 0.00193974 32
9425 63 C 34.1392 36.9289 7.94136 0.00125794 0.000759691 0.00305361 32
9426 64 C 34.6002 36.6847 6.48507 0.000765496 0.00146384 0.00147083 32
9427 65 C 33.3875 36.7435 5.54394 -4.42738e-05 -0.0011236 -0.00385739 32
9428 66 C 33.6626 37.2506 4.11585 4.58996e-05 0.00244861 -0.00328414 32
9429 67 C 34.1076 36.1639 3.1569 0.00306714 0.000744582 -0.00688637 32
9430 68 C 34.4035 36.7252 1.772 -0.000164363 0.00331513 -0.0036196 32
9431 69 F 30.4662 39.7108 23.2271 0.00229605 -0.0037615 9.05946e-05 32
9432 70 C 31.3287 35.1693 14.0296 0.000234327 0.00296418 0.00355535 32
9433 71 C 31.3909 36.0268 12.7589 -0.00146324 -0.000425932 -0.00176412 32
9434 72 C 31.3231 35.2753 11.4109 0.00063221 0.000914518 -0.00260224 32
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9436 74 C 29.9392 34.3833 9.397 -0.00132983 -0.0029064 -0.00116786 32
9437 75 C 30.0954 35.5586 8.433 -0.00146568 -0.00566051 -0.00080307 32
9438 76 C 30.5679 35.2603 6.96172 0.00287304 0.000508439 -0.00185788 32
9439 77 C 29.6696 34.3768 6.14014 -0.000515774 -0.00162572 0.00403771 32
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9441 79 C 30.711 34.755 3.75717 -0.000131549 0.0035417 0.00148932 32
9442 80 C 29.5747 35.1875 2.81153 -1.86683e-06 -0.00116439 -0.000430305 32
9443 81 C 28.8555 34.1064 2.01971 -0.00097087 -0.002632 0.000444582 32
9444 82 C 32.6446 40.6462 14.7047 0.000314891 0.00191471 0.00266293 32
9445 83 C 33.2805 39.5563 13.8345 -0.000734533 -2.65797e-05 -0.00108642 32
9446 84 C 33.5249 40.0776 12.4338 0.000755716 0.00171487 -0.00068981 32
9447 85 C 34.4515 41.2969 12.2959 -0.00392 -0.00240921 -0.00605288 32
9448 86 C 34.3253 41.9996 10.9001 0.0023168 0.00289576 -0.00162846 32
9449 87 C 34.5194 41.0605 9.72025 -0.00174971 -0.00203988 0.000529362 32
9450 88 C 34.3288 41.858 8.40906 0.000224079 -0.00345725 0.00178646 32
9451 89 C 34.3724 40.9096 7.22932 0.00318483 -0.000788573 -0.00220437 32
9452 90 C 34.1677 41.6753 5.89321 0.00540371 0.00182184 0.00453728 32
9453 91 C 33.9941 40.731 4.68617 0.00142606 0.00280061 -0.00576088 32
9454 92 C 34.0114 41.4152 3.32535 -0.00167694 0.00342748 0.00309661 32
9455 93 C 33.8408 40.4351 2.17996 0.000989005 -0.00140429 -0.00113655 32
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9457 95 C 23.1213 37.821 35.2274 -0.000632724 0.00308617 -0.00209679 32
9458 96 C 21.8677 37.4408 36.0364 -0.00140519 -0.00184357 0.00073298 32
9459 97 C 22.2036 37.1236 37.5567 -0.00104222 0.00132553 -0.000365095 32
9460 98 C 22.1476 38.3507 38.5204 -0.00221572 0.00162133 -0.000312431 32
9461 99 C 22.7233 38.1092 39.9092 -0.000502647 0.00286133 -0.00336131 32
9462 100 C 21.7737 37.5633 41.0063 0.00279214 -0.000638348 -2.82979e-05 32
9463 101 C 22.5149 37.3479 42.3112 0.0031745 0.000838178 0.000136872 32
9464 102 C 21.6878 37.3938 43.6322 -0.00249227 0.00216173 -0.00410849 32
9465 103 C 22.6734 37.3314 44.8061 0.00470436 -0.00508113 0.00128152 32
9466 104 C 21.9432 37.2312 46.1623 0.00248093 0.000334946 0.00202926 32
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9471 109 C 29.1074 42.8689 37.6944 -0.00133349 -0.00148649 -7.44118e-05 32
9472 110 C 30.0402 42.0218 38.5587 -0.00262146 -0.00355548 0.00341477 32
9473 111 C 29.5773 41.8595 40.0196 -0.000362294 0.00267751 0.000356228 32
9474 112 C 29.533 43.1705 40.8195 0.00174309 0.000723077 0.00268451 32
9475 113 C 29.2794 42.9704 42.3366 -0.00161606 -0.00346878 0.00238143 32
9476 114 C 30.4814 42.2665 43.0496 0.00152025 0.0045852 0.00395768 32
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9478 116 C 29.2667 41.8516 45.315 -7.21921e-05 -0.000713498 0.00236156 32
9479 117 C 29.3586 41.9722 46.8262 -0.00452536 -0.00356498 -0.00206195 32
9480 118 C 29.0733 33.8315 34.2598 -0.00147732 -0.000858237 -0.00125466 32
9481 119 C 28.8127 33.6876 35.7699 0.00137684 -0.000284653 0.00154143 32
9482 120 C 29.6977 32.5936 36.3961 -0.00196581 0.00350864 -0.00309922 32
9483 121 C 29.3794 32.2701 37.8642 -0.00162088 0.00412685 -0.0062975 32
9484 122 C 29.3692 33.5669 38.6917 0.00035672 0.00135231 -0.00311225 32
9485 123 C 29.2138 33.3266 40.1596 -0.00601909 -0.00110391 -0.00542847 32
9486 124 C 30.4524 32.8011 40.8936 0.000392125 0.000996557 -0.00251748 32
9487 125 C 30.4973 33.1618 42.3555 0.00353692 -0.00190635 -0.000515118 32
9488 126 C 29.3311 32.5955 43.1706 0.00128188 0.00128882 0.00224005 32
9489 127 C 29.191 33.189 44.5784 0.00206505 -0.00081698 0.00410328 32
9490 128 C 30.5337 33.2784 45.3923 0.00178725 0.00194078 -0.00108866 32
9491 129 C 30.271 33.6947 46.8388 0.000598841 -0.00451909 0.00529311 32
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9498 136 H 24.9652 37.3235 27.9198 0.00288832 0.00946456 0.00280835 32
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9505 143 H 30.1592 34.0204 16.1657 -8.42138e-05 0.00553453 -0.00196077 32
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9507 145 H 37.112 37.5929 20.4532 -0.00156638 -0.00205545 -0.00407047 32
9508 146 H 37.5602 37.6453 17.9817 -0.00175233 -0.00665448 0.00395482 32
9509 147 H 34.8053 37.4766 21.2844 -0.0146089 -0.000266659 0.0012358 32
9510 148 H 30.2136 41.8302 19.4228 -0.0043548 -0.00330811 -0.00377013 32
9511 149 H 30.5671 41.9031 17.0137 0.00432888 0.00179362 -0.000931057 32
9512 150 H 33.2355 37.8646 16.0199 0.00364404 -0.00668527 -0.00321099 32
9513 151 H 31.0008 39.8488 20.7361 -0.00777587 -0.00327013 -0.00183619 32
9514 152 H 27.1228 37.5505 33.1246 0.00189226 -0.00266015 0.000732458 32
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9517 155 H 36.5406 35.2145 13.7905 -0.0054032 -0.000313074 -0.000740418 32
9518 156 H 37.2377 36.8009 14.0907 0.00758488 -0.0136367 -0.00565426 32
9519 157 H 35.3461 37.8353 12.8166 0.00288488 -0.000402893 0.00731432 32
9520 158 H 34.3961 36.3632 13.0591 -0.00261381 0.0101431 -0.00102431 32
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9522 160 H 36.8569 36.6704 11.3221 0.00344888 -0.00875479 0.00765652 32
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9525 163 H 35.0274 35.2861 9.04267 0.00509671 -0.00106799 -0.00431263 32
9526 164 H 36.1731 36.5988 8.61491 0.00114097 0.0146213 0.00966697 32
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9528 166 H 33.1436 36.5176 8.14914 0.00279276 0.00041965 0.00974755 32
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9530 168 H 35.3584 37.4361 6.23232 0.0028585 -9.10738e-05 0.00311849 32
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9533 171 H 34.4339 38.0274 4.18679 -0.00361225 0.00478561 0.0111288 32
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9541 179 H 30.3303 34.7262 14.1303 0.00609218 -0.0123055 -0.00547491 32
9542 180 H 30.5995 36.7837 12.8235 0.0125302 0.0122249 0.0216764 32
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9575 213 H 35.5362 40.6486 9.7269 0.00301336 0.0097393 0.000825017 32
9576 214 H 33.8607 40.1837 9.74619 -0.00468545 0.000302579 0.00482853 32
9577 215 H 33.3402 42.3333 8.42086 -0.00457635 -0.0135753 0.00786307 32
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9579 217 H 35.3639 40.4454 7.15929 0.00870658 0.00926262 0.00947687 32
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9581 219 H 33.243 42.2609 5.96679 -0.00340496 -0.0120482 0.00463976 32
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9611 249 H 21.0921 36.5403 46.1217 0.0045306 -0.00242151 0.00584122 32
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9613 251 H 22.2689 36.6492 48.2296 0.0019718 0.00816634 0.00369472 32
9614 252 H 23.3532 35.7722 47.1797 0.00782376 0.00313233 -0.00694097 32
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9625 263 H 28.6142 41.3354 40.0553 0.00336898 -0.00460222 -0.00561336 32
9626 264 H 30.2781 41.1695 40.5054 0.0036958 0.00696202 0.000584753 32
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9634 272 H 30.5529 43.4793 44.8014 -0.0031879 -0.00136384 0.00661768 32
9635 273 H 28.3802 42.3914 44.9598 0.00320635 0.00443605 0.00200531 32
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9644 282 H 30.718 32.9899 36.3229 -0.00557384 0.0134112 4.37232e-05 32
9645 283 H 29.6618 31.7102 35.7467 0.0199274 0.00942667 -0.0123908 32
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9649 287 H 30.2713 34.1712 38.5356 0.00447999 -0.00302526 0.00375148 32
9650 288 H 28.306 32.7357 40.3333 -0.00719982 0.00685531 0.0154864 32
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9653 291 H 30.4855 31.7178 40.7236 0.0152073 0.00157759 -0.0032735 32
9654 292 H 30.4792 34.2555 42.4387 -0.00543356 -0.00143592 -0.008673 32
9655 293 H 31.4722 32.8571 42.7556 0.00687819 -0.0064698 -0.0121224 32
9656 294 H 29.4868 31.517 43.2966 -0.00306649 0.00131913 0.00791488 32
9657 295 H 28.3628 32.8079 42.7007 0.00172673 0.00186933 0.00158651 32
9658 296 H 28.4218 32.6147 45.1095 0.000144073 -0.00831923 -0.00678026 32
9659 297 H 28.7868 34.2057 44.4991 0.00278462 -6.71928e-05 0.0100218 32
9660 298 H 31.0879 34.1121 44.9438 0.00414484 0.000746052 -0.000382049 32
9661 299 H 31.146 32.3683 45.3741 -0.00700052 -0.00399467 0.000352123 32
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9663 301 H 29.5676 34.5316 46.9294 -0.00416996 -0.0079021 -0.000642464 32
9664 302 H 31.1694 34.0539 47.3559 0.00730472 -0.0107805 -0.00203787 32
9665 1 C 33.1182 34.2658 31.2124 0.0004748 -0.000195058 0.00405247 33
9666 2 C 33.2823 34.1894 29.8351 -0.00656274 -0.00153502 -0.00305333 33
9667 3 C 32.8657 33.0435 29.1815 0.000844083 0.00383054 0.000338863 33
9668 4 C 32.2069 32.0462 29.8873 -0.00180465 -4.9313e-05 -0.0011428 33
9669 5 C 32.0152 32.1394 31.2906 0.00323314 -0.00059783 -0.00222847 33
9670 6 C 32.4836 33.2927 31.9705 -0.00169999 0.00110929 -0.00048031 33
9671 7 C 27.533 30.6842 30.5414 -0.00120291 0.00189688 -0.00157897 33
9672 8 C 27.7606 30.5686 29.1594 0.00275 0.00754507 0.000292645 33
9673 9 C 29.0726 30.6263 28.65 -0.00226082 0.00221769 0.00106484 33
9674 10 C 30.1238 30.7866 29.5527 0.00197914 -0.00124049 -0.00291144 33
9675 11 C 29.9174 30.888 30.9753 0.0055993 0.00122799 -0.00206951 33
9676 12 C 28.5807 30.8165 31.4658 0.0040204 -0.00212365 -0.000465516 33
9677 13 C 32.933 27.3786 31.3512 -0.000326533 -0.00338943 -0.00242166 33
9678 14 C 33.1185 27.398 29.9906 -0.00268237 0.00712808 -9.10156e-06 33
9679 15 C 32.7023 28.5037 29.2727 -0.000657323 -0.00176265 0.000648604 33
9680 16 C 32.13 29.5981 29.9192 0.00123368 0.00431734 0.001314 33
9681 17 C 31.5883 30.8295 29.1863 0.000232601 0.00216192 0.00287706 33
9682 18 O 32.1808 28.4209 33.4101 -0.00128443 -1.5702e-05 -0.00139303 33
9683 19 O 28.3162 30.824 32.8247 -0.000494078 0.0022054 -0.00183308 33
9684 20 O 32.3526 33.4954 33.3564 0.000684616 -0.00164107 -0.00225208 33
9685 21 C 32.3447 28.4552 32.0557 0.000293738 0.000773362 -0.00138681 33
9686 22 C 31.8857 30.8102 27.7757 0.00212304 0.000181543 0.000248835 33
9687 23 C 32.3599 30.7966 26.6318 -0.000361016 -0.00132064 -0.00176681 33
9688 24 C 33.1468 30.7947 25.429 0.00437376 -0.00224937 -0.00528185 33
9689 25 C 33.3256 32.0207 24.7345 0.00231951 -0.00240154 -0.00253481 33
9690 26 C 34.2412 32.0544 23.6809 -0.00266486 0.00234076 -0.0015113 33
9691 27 C 34.9006 30.8686 23.3139 -0.00252992 0.00338026 -0.00287152 33
9692 28 C 34.7352 29.7005 24.0251 -0.00373361 0.0019613 -0.00341783 33
9693 29 C 33.9308 29.6828 25.1441 0.00743418 0.000497671 0.00296233 33
9694 30 C 35.6403 30.8943 22.1189 -0.0043977 0.000543277 -0.00239058 33
9695 31 C 36.1262 30.8885 21.0061 0.000768328 0.000163782 0.00417108 33
9696 32 C 34.8345 27.4566 18.833 -0.00106595 -0.000335117 -0.0010359 33
9697 33 C 35.1539 27.3967 17.4768 0.000267926 9.65843e-05 0.00297188 33
9698 34 C 35.8029 28.4135 16.7777 -0.000450078 0.00128954 -0.00129626 33
9699 35 C 36.0807 29.5699 17.4949 -0.00489651 0.00129345 -0.00260967 33
9700 36 C 35.9015 29.5961 18.9053 0.00398206 0.000394774 0.00142432 33
9701 37 C 35.2623 28.5461 19.5759 0.0002868 0.000983169 0.000597073 33
9702 38 C 36.4842 30.8349 19.5771 -0.00310544 0.000827839 0.000977592 33
9703 39 C 40.3988 30.6788 19.2617 -0.00297932 -0.00394111 -0.00151262 33
9704 40 C 40.4693 30.6781 17.8588 -0.000806205 -0.00620794 -0.00203283 33
9705 41 C 39.3087 30.8324 17.1043 -0.00259409 -0.00110798 -0.00482342 33
9706 42 C 38.0631 30.8502 17.7271 0.00267646 0.00108195 0.00501058 33
9707 43 C 37.9601 30.858 19.1441 -0.00015141 0.000312349 -0.000613055 33
9708 44 C 39.1374 30.7515 19.9243 -0.00175157 0.00227758 0.00150025 33
9709 45 C 34.412 33.9716 18.6594 -0.00412288 -0.00207141 0.00690425 33
9710 46 C 34.4851 33.9179 17.2596 0.00335344 0.00229506 -0.00208061 33
9711 47 C 35.3471 32.9693 16.6333 -0.00118138 -0.00174767 -0.00196259 33
9712 48 C 35.9531 31.9963 17.4496 0.00295418 0.000212977 -0.000246536 33
9713 49 C 36.7892 30.8249 16.921 2.66657e-05 -0.00115768 -0.00227216 33
9714 50 C 35.8294 32.029 18.8671 0.000840881 0.00174143 0.000963916 33
9715 51 C 35.0968 33.0607 19.4679 -0.000105604 -0.00167443 -0.00019537 33
9716 52 O 39.3804 31.0918 15.7656 -0.00172451 -0.00165721 -0.00229171 33
9717 53 O 36.1328 28.3052 15.4875 0.00207054 0.00142622 0.00265351 33
9718 54 O 35.576 32.964 15.2554 -0.000969277 0.00104565 7.8994e-05 33
9719 55 C 31.204 30.9029 31.8121 0.00272798 0.000104573 -0.000948397 33
9720 56 C 31.922 29.6098 31.2962 0.000794383 -0.00110194 -0.000744202 33
9721 57 C 39.7278 30.066 14.8827 -0.00116233 0.00310554 0.00158414 33
9722 58 C 39.4024 30.5014 13.4276 -0.00477911 -0.00107737 -0.00144543 33
9723 59 C 37.8539 30.6049 13.177 -7.25714e-05 -3.16439e-05 0.000265574 33
9724 60 C 37.2697 30.5763 11.7656 -0.0019639 -0.0008864 -0.00213955 33
9725 61 C 38.112 29.9952 10.6004 0.00519766 -0.000215609 -0.00277239 33
9726 62 C 37.4202 30.4315 9.28518 0.00265529 -0.00177933 0.000885577 33
9727 63 C 38.289 30.1767 8.04671 -0.00161666 -0.00522898 -0.00340621 33
9728 64 C 37.5667 30.4454 6.71087 0.00267939 0.00129351 0.00131806 33
9729 65 C 38.5082 30.259 5.51027 -0.00393043 0.00196407 -0.00128943 33
9730 66 C 37.7983 30.3004 4.13404 -0.000893659 -0.00105931 0.000941682 33
9731 67 C 38.7458 29.8499 3.02347 -0.000637228 0.00504298 -0.000237906 33
9732 68 C 38.1667 29.9768 1.60721 -0.00384829 0.00129526 -0.00570719 33
9733 69 F 34.4184 33.1857 22.9927 0.000112615 0.00160217 0.001435 33
9734 70 C 36.3694 27.0174 14.9173 -0.000638835 0.000121799 0.00256545 33
9735 71 C 36.9697 27.1487 13.5178 0.00419929 -0.000243443 -0.000738211 33
9736 72 C 37.4105 25.8205 12.9864 -0.00363816 -0.00468265 -0.00534061 33
9737 73 C 37.8868 25.9274 11.5374 -0.00141509 -0.000137703 -0.00321208 33
9738 74 C 38.5636 24.6298 11.0725 0.00190964 0.000373968 -0.000890723 33
9739 75 C 39.2542 24.7111 9.68165 0.00258595 0.00139626 0.000495388 33
9740 76 C 38.4177 24.9746 8.42083 -0.00188331 -0.000325098 -0.000388174 33
9741 77 C 38.2464 26.4349 7.97087 0.000519006 0.000555482 0.000850704 33
9742 78 C 37.6824 26.5051 6.51009 0.00313868 0.00308614 0.00159029 33
9743 79 C 38.6868 26.1924 5.41024 -0.000171004 -0.00415393 -0.00365007 33
9744 80 C 37.978 26.1862 4.0107 0.00154704 0.00337474 0.000597039 33
9745 81 C 38.8299 25.6256 2.89051 0.00146555 0.000500592 -0.00162939 33
9746 82 C 34.5362 32.5603 14.3982 -0.00183612 0.00116689 0.000971229 33
9747 83 C 34.8771 33.0237 12.9842 0.0018991 -0.000519584 0.00333938 33
9748 84 C 34.1377 32.292 11.8388 -0.00148385 -0.00232452 0.00246407 33
9749 85 C 34.4526 32.8439 10.447 -2.85426e-05 0.00181465 -0.00243154 33
9750 86 C 33.7225 32.0897 9.29863 -0.000995611 -0.00368608 -0.00106387 33
9751 87 C 33.3716 32.9805 8.07692 -0.00143244 -0.000791208 -0.00121886 33
9752 88 C 34.3292 32.8228 6.84647 0.000914767 0.00280332 -0.00203517 33
9753 89 C 34.0967 31.501 6.08138 0.00178244 0.000621731 0.00184583 33
9754 90 C 34.5768 31.5943 4.57429 0.00123639 0.000984524 -0.000788705 33
9755 91 C 33.5766 32.3475 3.67012 0.000247547 -0.00545659 -0.0023136 33
9756 92 C 33.5072 31.8555 2.23596 0.000226092 -0.000496215 -0.0017596 33
9757 93 C 34.8198 31.9283 1.50807 0.00214822 -0.000231491 -0.000949299 33
9758 94 C 26.9811 30.5126 33.297 0.000649053 5.95709e-05 -0.00407414 33
9759 95 C 26.924 30.8939 34.8254 0.00297896 -0.00108415 0.00388639 33
9760 96 C 25.5842 30.5172 35.501 -0.00146906 -0.0030496 0.000384099 33
9761 97 C 25.4987 31.1017 36.9659 0.000563091 -0.00312956 0.000738921 33
9762 98 C 25.6229 30.1114 38.1338 -0.00215487 -0.00428784 -0.000878374 33
9763 99 C 25.9703 30.8445 39.4945 0.000347904 0.00116088 -0.00177958 33
9764 100 C 25.8613 29.905 40.7048 -0.00132149 0.00131378 -0.0004588 33
9765 101 C 26.3552 30.5254 41.988 0.00252039 0.00264798 0.00039665 33
9766 102 C 26.2138 29.5415 43.1189 -0.000820269 0.00495167 -0.00114256 33
9767 103 C 26.8184 29.9154 44.5186 -0.0026091 0.00315952 0.000812766 33
9768 104 C 25.8315 30.859 45.3203 -0.00184759 0.00143522 0.00337529 33
9769 105 C 26.2724 31.1253 46.7465 -0.00116805 -0.00080955 0.00510033 33
9770 106 C 33.1626 34.4311 34.0459 -0.00133242 -0.00165294 -0.000965262 33
9771 107 C 32.851 34.7272 35.5484 0.00322985 -0.00261467 -0.00608968 33
9772 108 C 33.8464 35.8287 36.1208 0.00126614 0.000465747 0.000949226 33
9773 109 C 33.458 36.3713 37.5127 0.003765 0.000665186 0.0049347 33
9774 110 C 33.3547 35.2784 38.6025 -0.0042278 0.000573896 -0.00158848 33
9775 111 C 33.8238 35.8815 39.9338 0.00113828 0.00191013 -0.000783865 33
9776 112 C 33.3207 35.1396 41.2055 0.00369875 -0.00148895 0.00332896 33
9777 113 C 34.0793 35.6575 42.4625 0.0051396 7.6364e-05 0.000435671 33
9778 114 C 33.5011 35.2279 43.845 0.00299866 0.00506553 0.000430111 33
9779 115 C 34.3484 35.8959 44.9521 0.00133295 -0.000511321 0.00127124 33
9780 116 C 33.6524 35.8847 46.311 -0.00424256 0.00037438 0.00340781 33
9781 117 C 33.7906 34.5917 47.132 -0.00125302 -0.00114424 -0.000449952 33
9782 118 C 32.4257 27.2377 34.173 0.00209096 0.000176157 0.000733699 33
9783 119 C 32.7928 27.6061 35.6128 -0.00465819 -0.000237249 -0.00181266 33
9784 120 C 33.1382 26.3494 36.4421 -0.000199913 -0.00284188 0.0017955 33
9785 121 C 33.7791 26.7105 37.8148 -0.00208332 0.000347224 0.00196833 33
9786 122 C 33.4541 25.7432 38.9575 0.00161392 0.00517369 0.00224197 33
9787 123 C 34.0382 26.2036 40.3072 -0.000467611 -0.000264042 -0.00208157 33
9788 124 C 33.4432 25.4413 41.492 -0.00369051 0.00663745 -0.00316291 33
9789 125 C 33.9795 25.9895 42.8413 0.00266449 0.00294461 -0.00124361 33
9790 126 C 33.3457 25.272 44.0461 -0.00323855 -0.00132258 0.0036685 33
9791 127 C 34.0638 25.5042 45.3788 -0.00154357 2.88079e-05 0.00101922 33
9792 128 C 33.6107 26.8532 45.9727 0.00139691 0.00249766 0.00127816 33
9793 129 C 34.5265 27.3503 47.1369 0.0039267 -0.00179726 -0.00353661 33
9794 130 F 32.751 33.1743 25.1661 9.82972e-05 0.00476428 -0.00068598 33
9795 131 H 33.5395 35.1485 31.6844 -0.0179885 0.00874798 0.00376851 33
9796 132 H 33.7099 35.0212 29.2831 -0.00608781 -0.000896566 -0.00172575 33
9797 133 H 32.9605 33.0077 28.1003 -0.00791713 -0.00493525 -0.000153483 33
9798 134 H 26.5089 30.6857 30.9027 0.00604058 0.0158856 0.0190632 33
9799 135 H 26.9395 30.3841 28.473 -0.00449434 0.00102868 0.01071 33
9800 136 H 29.208 30.5899 27.5731 -0.0249441 -0.0204748 -0.00103818 33
9801 137 H 33.2114 26.4677 31.8731 -0.00849287 -0.00466623 -0.000270455 33
9802 138 H 33.6368 26.5945 29.4757 -0.00882263 0.00660141 -0.00535885 33
9803 139 H 32.8467 28.4832 28.1965 -0.000419486 -0.0118819 0.000869777 33
9804 140 H 35.3065 28.8399 23.6899 0.00114743 0.00628302 -0.00624025 33
9805 141 H 33.9358 28.7916 25.7647 0.016889 -0.000232697 0.00186641 33
9806 142 H 34.3116 26.6327 19.3097 0.00148156 -0.00194495 -0.00102475 33
9807 143 H 34.9375 26.4477 16.9952 -0.00804618 0.00367816 -0.000312158 33
9808 144 H 35.0811 28.6293 20.6434 0.00945427 -0.008412 0.00286746 33
9809 145 H 41.2867 30.6117 19.8834 -0.00290652 0.00218895 -0.000951325 33
9810 146 H 41.4408 30.6178 17.3773 -0.000290843 0.0040825 -0.00227739 33
9811 147 H 39.0652 30.7437 21.0079 0.00165014 0.00674343 0.00175882 33
9812 148 H 33.8223 34.7504 19.1339 -0.000138514 -0.00366686 0.0144751 33
9813 149 H 33.8834 34.5988 16.6648 -0.00319881 -0.00883884 -0.00821079 33
9814 150 H 36.896 30.7884 15.8298 0.00888114 -0.00641205 -0.00122719 33
9815 151 H 34.9796 33.0901 20.5472 0.00501785 -0.00373296 0.000422174 33
9816 152 H 31.0287 30.8265 32.8923 -0.0175376 -0.00159133 -0.00435333 33
9817 153 H 40.7934 29.8101 14.9314 -0.000349094 0.00337666 -0.0140681 33
9818 154 H 39.1677 29.1319 15.0142 -0.000598061 0.00322214 0.00473883 33
9819 155 H 39.8897 29.7841 12.7557 0.0116848 0.0101741 -0.00154224 33
9820 156 H 39.8835 31.4699 13.2435 -0.00450134 -0.0012865 -0.00181895 33
9821 157 H 37.4295 31.4888 13.669 0.00513395 0.00269349 -0.000173102 33
9822 158 H 37.3166 29.862 13.7793 -0.00725158 0.00465156 -0.000341739 33
9823 159 H 36.9923 31.6019 11.4922 -0.00561936 -0.00219266 -0.00333323 33
9824 160 H 36.3253 30.0182 11.77 -0.00391274 0.00252694 0.00924139 33
9825 161 H 38.237 28.9073 10.6659 -0.0146361 -0.00270887 -0.00650644 33
9826 162 H 39.1083 30.4532 10.5698 0.000115183 0.0119969 0.0150556 33
9827 163 H 37.1228 31.4875 9.28335 0.00219156 -0.00192202 -0.0160128 33
9828 164 H 36.487 29.8799 9.11688 -0.000517701 0.00620365 -0.00780997 33
9829 165 H 38.5977 29.1241 8.03612 -0.00585284 -0.00650966 0.000518394 33
9830 166 H 39.2102 30.7646 8.14243 -0.000375963 -0.00799938 0.00173091 33
9831 167 H 37.3228 31.5149 6.72325 -0.00235595 0.000235071 -0.00828261 33
9832 168 H 36.6783 29.8058 6.63873 -0.00517646 0.0122455 0.00106941 33
9833 169 H 38.9807 29.2792 5.65214 0.00104219 0.00566267 0.00772447 33
9834 170 H 39.249 31.0663 5.56474 -0.0026702 0.000940321 -0.00333878 33
9835 171 H 37.4359 31.3229 3.97113 0.0175798 0.00558256 0.00157964 33
9836 172 H 36.9313 29.6283 4.14115 0.000196778 -0.00249686 -0.00193914 33
9837 173 H 39.0304 28.8029 3.18507 -0.00114174 0.00338573 -0.0100353 33
9838 174 H 39.6723 30.4367 3.05112 0.00807696 -0.00883038 0.002317 33
9839 175 H 37.9868 31.0358 1.38485 -0.00563599 -0.000246027 -0.0116004 33
9840 176 H 37.2788 29.3611 1.41697 0.00285621 -0.0057944 -0.0141753 33
9841 177 H 38.913 29.7091 0.849142 0.00120437 -0.0150441 0.00509036 33
9842 178 H 37.0765 26.4503 15.5352 -0.00505185 -0.00508134 0.0028412 33
9843 179 H 35.4684 26.3985 14.8241 0.00175775 -0.00280517 -0.0012967 33
9844 180 H 36.2509 27.6345 12.8465 0.00196203 -0.00425386 -0.0012316 33
9845 181 H 37.7816 27.8845 13.5699 0.00330452 0.000788959 -0.00128205 33
9846 182 H 38.1607 25.3094 13.6022 -0.00157154 -0.00722523 -0.00995773 33
9847 183 H 36.4915 25.223 12.9429 -0.000309987 -0.0100106 -0.00202719 33
9848 184 H 37.0342 26.0911 10.8669 -0.00291669 0.00395733 -0.000296084 33
9849 185 H 38.5254 26.8087 11.3999 -0.000824638 0.0010412 0.00712654 33
9850 186 H 39.2643 24.2696 11.8358 -0.00192874 0.00774264 0.00610905 33
9851 187 H 37.7707 23.8723 11.0443 -0.00523814 0.00869225 -0.0230751 33
9852 188 H 40.0684 25.4462 9.67378 0.0077453 -0.00414264 0.0211202 33
9853 189 H 39.7795 23.7728 9.46522 0.00424377 0.00251695 -0.000356722 33
9854 190 H 38.878 24.386 7.61771 0.00902593 0.00762755 5.87875e-05 33
9855 191 H 37.449 24.484 8.57726 -0.0039085 0.00398121 0.000534154 33
9856 192 H 37.5541 26.9067 8.6791 0.00524361 -0.00643068 0.0101374 33
9857 193 H 39.1791 27.0111 8.0076 0.0050104 -0.00568552 -0.0152987 33
9858 194 H 36.835 25.814 6.42247 0.00516208 0.000714327 0.000712613 33
9859 195 H 37.3199 27.5256 6.33529 0.0204557 0.0088808 -0.000576337 33
9860 196 H 39.4764 26.953 5.37337 -0.0067373 0.00365555 0.0176398 33
9861 197 H 39.1889 25.2534 5.67396 -0.00349359 -0.0055662 -0.0023513 33
9862 198 H 37.0072 25.6758 4.03199 -0.000972157 0.00866773 0.0130772 33
9863 199 H 37.6818 27.2149 3.77113 -0.0153191 -0.00192829 -0.00135139 33
9864 200 H 38.1687 25.3084 2.07462 -0.00308583 -0.00485069 0.00413711 33
9865 201 H 39.4646 26.4344 2.50779 -6.11467e-05 0.000992722 -0.00312695 33
9866 202 H 39.4148 24.761 3.22782 0.00236413 0.0018082 0.000161966 33
9867 203 H 34.4089 31.4778 14.5225 0.00825762 0.00164191 0.0156476 33
9868 204 H 33.5865 33.0336 14.6766 -0.00302924 -0.00269042 0.00345696 33
9869 205 H 34.5487 34.0686 12.9224 -0.00360219 -0.00303171 -0.0100976 33
9870 206 H 35.9605 33.0156 12.8122 0.00150218 -0.00748109 0.00116917 33
9871 207 H 34.4057 31.2283 11.851 -0.00200839 -0.00251299 -0.0024903 33
9872 208 H 33.0666 32.3534 12.0676 0.000626762 0.00156622 0.0112814 33
9873 209 H 34.1575 33.8999 10.4117 0.00882766 0.00401456 -0.0111001 33
9874 210 H 35.5336 32.7957 10.2665 -0.000846978 0.00527809 -0.00824657 33
9875 211 H 34.2714 31.192 8.9884 0.00125517 0.00266093 -0.0154361 33
9876 212 H 32.7819 31.7031 9.71003 0.00025395 -0.00169148 0.00367103 33
9877 213 H 32.3751 32.689 7.72276 -0.0069792 0.0290077 -0.010039 33
9878 214 H 33.3314 34.0226 8.41718 -0.010041 -0.00159141 0.000191927 33
9879 215 H 34.1227 33.6599 6.16815 0.00745741 -0.00577366 -0.0145999 33
9880 216 H 35.387 32.8193 7.13712 -0.000489564 -0.00220029 0.00304025 33
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9950 286 H 33.808 24.7359 38.7052 0.00608852 0.00376704 0.014162 33
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9955 291 H 32.3555 25.5803 41.5225 -0.00609195 -0.0137197 0.00402143 33
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9967 1 C 37.1371 40.8102 30.4644 0.000999104 0.00159491 0.00607241 34
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9970 4 C 36.1893 38.5626 29.1399 0.00233375 0.000513997 0.000796439 34
9971 5 C 36.0086 38.7 30.5409 -0.00244218 -0.00549933 0.00445597 34
9972 6 C 36.4504 39.8352 31.2113 -0.000419614 -0.00190009 -0.00186955 34
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10016 50 C 40.0944 38.8214 18.1032 -0.00424322 0.00197376 0.00376504 34
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10025 59 C 42.4946 36.5702 11.5459 -0.00307651 -0.0027161 -0.00354035 34
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10028 62 C 41.4506 37.98 8.00267 -0.00119988 -0.00224107 0.000639179 34
10029 63 C 42.1342 38.08 6.61877 0.000288255 -0.00258582 0.00472404 34
10030 64 C 41.4285 37.1598 5.56173 -0.00298685 -0.000406238 0.000139537 34
10031 65 C 42.1665 37.0282 4.18197 -0.00483437 0.000795614 0.00121072 34
10032 66 C 41.9761 38.2459 3.25317 -0.0041264 0.00115472 0.000172881 34
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10039 73 C 39.3714 33.9341 9.92773 0.00390165 -0.00105831 0.00114484 34
10040 74 C 38.5626 34.9882 9.13143 0.00544914 0.000103693 0.00284556 34
10041 75 C 37.8728 34.3333 7.91862 -0.00113232 0.00181703 5.52485e-05 34
10042 76 C 37.9857 35.0869 6.63407 -0.000789898 0.000677973 0.000783457 34
10043 77 C 37.5601 34.2405 5.40318 0.00280681 0.00501465 0.000792253 34
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10046 80 C 38.2208 34.7418 1.60309 -0.0023099 -0.00119573 0.000748168 34
10047 81 C 38.2487 33.763 0.373271 -0.0014479 0.00189161 0.00122769 34
10048 82 C 41.1316 41.1576 13.9241 -0.00168658 -0.00208244 0.00202079 34
10049 83 C 41.6145 40.7465 12.4923 -0.00238804 -0.00349567 -0.00217595 34
10050 84 C 42.1458 41.9077 11.5788 0.00283901 0.00108533 0.00231123 34
10051 85 C 42.2465 41.4216 10.0965 0.00242054 -0.000235362 -0.00124578 34
10052 86 C 43.1859 42.1993 9.17951 0.00416142 5.59807e-05 0.00098352 34
10053 87 C 42.9713 41.9761 7.66308 -0.00155892 -0.00263592 0.00380459 34
10054 88 C 41.6088 42.4939 7.10556 0.00184528 -0.00123508 0.00299173 34
10055 89 C 41.7682 43.0472 5.64449 -0.000748452 -0.00198014 -0.0031937 34
10056 90 C 42.0854 41.999 4.55117 -0.000550724 -0.00107951 0.00323667 34
10057 91 C 42.1671 42.7119 3.154 -0.00421208 0.00548724 0.00302838 34
10058 92 C 42.405 41.7459 1.97527 -0.000680523 0.000660818 0.002479 34
10059 93 C 41.0723 41.1377 1.54105 -0.00160601 -0.003416 -0.000488549 34
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10061 95 C 31.0688 37.955 34.1883 0.000597835 0.00666743 0.000358584 34
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10069 103 C 30.2995 37.011 43.429 0.00409409 0.00301863 0.000498063 34
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10072 106 C 36.6877 41.2068 33.1837 -0.00107489 0.00334641 0.00381472 34
10073 107 C 36.7106 41.149 34.7074 0.00246798 0.000298119 0.00502607 34
10074 108 C 36.933 42.5302 35.3328 0.00484521 -0.00119274 0.000920401 34
10075 109 C 36.4708 42.6749 36.7901 0.000941142 -0.001369 -0.00204199 34
10076 110 C 37.4858 42.2449 37.8808 0.000967702 0.000338639 -0.00156978 34
10077 111 C 37.1726 42.7075 39.3039 -0.00381058 0.00411926 0.0025237 34
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10079 113 C 38.0804 42.5325 41.8361 0.00241017 -0.000729756 -0.000663945 34
10080 114 C 36.8471 42.0628 42.6365 -0.000110275 -0.00120878 -0.000700737 34
10081 115 C 36.7868 42.6756 44.0983 -0.000771838 0.001792 -0.00424464 34
10082 116 C 37.5508 41.8891 45.1439 -0.00278595 0.00307643 -0.00160463 34
10083 117 C 37.1988 42.2556 46.6331 0.00339637 -0.00221168 0.00256482 34
10084 118 C 37.017 34.0327 33.6923 -0.00108524 -0.00337698 -0.00207178 34
10085 119 C 36.8039 33.9801 35.2115 -0.00307471 0.00158602 -0.000108917 34
10086 120 C 37.6611 32.8786 35.992 0.00165671 -0.00377558 0.00178604 34
10087 121 C 37.9415 33.1857 37.5022 0.000447416 -0.00245571 0.00225994 34
10088 122 C 36.7315 33.4545 38.3832 -0.000163571 -0.00352422 -0.0021702 34
10089 123 C 37.0054 33.664 39.8736 -0.0018121 0.00197924 -0.00207196 34
10090 124 C 37.0207 32.3375 40.6321 4.22979e-05 0.00532379 0.00250749 34
10091 125 C 37.7085 32.3934 42.0034 -0.00261911 0.00105613 -0.00163736 34
10092 126 C 37.0725 33.2099 43.1759 0.000576363 0.00150854 -0.00266805 34
10093 127 C 37.8072 32.8939 44.5057 0.00326638 -0.00267038 0.0062436 34
10094 128 C 37.2986 33.6769 45.715 -0.00157559 5.95489e-05 0.00207868 34
10095 129 C 37.9672 33.2138 47.0151 -0.000164122 -0.00123557 0.00986751 34
10096 130 F 38.2958 35.094 25.2876 -0.000425994 0.000686569 0.000381885 34
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10104 138 H 37.6759 33.1742 29.0588 0.00692396 -0.00169359 0.00764762 34
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10110 144 H 38.7627 35.4032 19.8724 0.000822634 0.0104963 -0.000848585 34
10111 145 H 45.2399 37.1784 19.162 -0.00412546 -0.0154702 0.00806986 34
10112 146 H 45.4785 37.0147 16.7144 0.00836297 -0.0160579 0.0131688 34
10113 147 H 42.9991 37.193 20.2418 -0.00434923 -0.0141426 0.000743049 34
10114 148 H 39.6852 42.1353 18.5966 0.000681462 -0.00302059 0.0100396 34
10115 149 H 40.402 42.1837 16.2065 -0.0188198 -0.00739983 -0.0138878 34
10116 150 H 40.732 37.3546 15.0979 -0.00363089 0.00231501 -0.00334762 34
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10118 152 H 35.0391 37.5839 32.2599 -7.28756e-05 -0.00222218 0.0040548 34
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10120 154 H 42.1774 35.4723 14.6824 -0.00116867 -0.000311985 -0.00275971 34
10121 155 H 42.1575 37.9024 13.2102 -0.00326102 -0.00533089 0.00796069 34
10122 156 H 40.963 36.6462 13.1304 0.00125513 0.00551371 0.00502941 34
10123 157 H 42.5144 35.4962 11.3233 0.00984331 -0.00236515 -0.00412042 34
10124 158 H 43.5353 36.8933 11.4193 -0.00425095 0.000626375 -0.0046577 34
10125 159 H 41.3497 38.287 10.7926 0.00405801 -0.00163314 0.00359185 34
10126 160 H 40.6635 36.7519 10.3958 -0.00452687 0.004376 0.00569579 34
10127 161 H 42.7934 36.5053 8.75646 -0.00679065 -0.0108156 0.00606705 34
10128 162 H 43.2103 38.1364 9.22862 0.00772094 -0.0132282 0.00712567 34
10129 163 H 41.1451 38.9847 8.31993 -0.00151678 -0.000177953 -0.00621422 34
10130 164 H 40.5469 37.3631 7.92413 -0.00392938 0.00337711 -0.0121917 34
10131 165 H 43.1953 37.8296 6.74066 -0.000295839 0.000510101 0.0162789 34
10132 166 H 42.0711 39.1098 6.2461 0.0032622 -0.00736303 -0.00901093 34
10133 167 H 40.4046 37.5248 5.41433 -0.00348915 -0.00587348 -0.00979354 34
10134 168 H 41.3087 36.2093 6.09614 -0.00372743 0.000229505 0.00111293 34
10135 169 H 41.756 36.1279 3.7081 -0.0032983 0.00037945 0.000673684 34
10136 170 H 43.2319 36.852 4.37483 -0.00322499 0.0079577 -0.00114337 34
10137 171 H 42.4996 39.1218 3.65573 -0.00366414 0.00247068 -0.00328978 34
10138 172 H 40.9056 38.4832 3.21969 -0.00528893 -0.0033642 0.00528764 34
10139 173 H 43.5283 37.7533 1.72503 0.000145715 -0.00145132 0.00871618 34
10140 174 H 42.3906 38.8898 1.22415 0.00582129 0.00375132 0.0089787 34
10141 175 H 41.8952 35.8435 1.41453 -0.00634055 -0.00209457 -0.00772209 34
10142 176 H 41.8985 36.9297 0.0156771 -0.00285884 -0.0172214 -0.00409826 34
10143 177 H 40.6032 37.0706 1.11955 0.00108761 0.00655114 -0.00625948 34
10144 178 H 39.6728 33.3089 14.1475 -0.00592972 -0.00781814 0.00182743 34
10145 179 H 37.9949 33.7936 13.9431 0.000798315 0.00312404 -0.0033745 34
10146 180 H 38.6739 35.5648 12.2296 0.00368011 0.006115 -0.00206053 34
10147 181 H 40.2872 34.8965 12.2779 -0.000438677 -0.0119784 -0.0213248 34
10148 182 H 39.267 32.6139 11.61 0.00607176 0.00226617 6.8543e-05 34
10149 183 H 37.7618 33.5373 11.236 -0.00218876 0.0163993 -0.00981014 34
10150 184 H 40.3827 34.3347 10.07 0.000660471 0.0134511 -0.0167248 34
10151 185 H 39.3995 33.0032 9.34804 0.000782094 0.0030859 -0.00568874 34
10152 186 H 37.7756 35.3644 9.79666 -0.00580969 -0.0142777 -0.002316 34
10153 187 H 39.1895 35.8492 8.86832 -0.00844727 0.00687006 -0.00809266 34
10154 188 H 38.2349 33.3154 7.72822 -0.00801243 0.000386664 -0.00540418 34
10155 189 H 36.8126 34.2152 8.17468 -0.00241439 0.0110285 -0.000996837 34
10156 190 H 37.3509 35.981 6.66732 0.0142122 0.0109637 0.00957861 34
10157 191 H 39.0371 35.3784 6.52005 0.00330176 -0.0147983 -0.00118316 34
10158 192 H 38.0755 33.2722 5.41636 0.0151658 0.0115656 -0.00217194 34
10159 193 H 36.4995 33.9614 5.42764 0.000850153 0.0114778 -0.0107092 34
10160 194 H 37.3442 35.8605 3.98955 -0.00567188 -0.00350189 0.00359874 34
10161 195 H 38.9671 35.2265 4.15386 -0.00240961 -0.00349852 0.00257583 34
10162 196 H 38.3322 33.1212 2.9876 -0.0066841 -0.00769597 -0.00345691 34
10163 197 H 36.6775 33.656 2.76419 0.00235061 -0.00687298 0.00368375 34
10164 198 H 37.556 35.6001 1.44537 0.00741551 0.0098783 0.0197038 34
10165 199 H 39.1841 35.2374 1.77581 -0.00385198 0.000904415 0.0033655 34
10166 200 H 38.5533 34.3324 -0.513463 -0.000741612 0.0040411 0.00284703 34
10167 201 H 38.9718 32.9571 0.549615 -0.00487008 0.00328423 0.0217355 34
10168 202 H 37.2659 33.3133 0.185233 0.00283772 -0.00591117 -0.00250449 34
10169 203 H 40.1412 41.6277 13.884 -0.000283234 0.000757962 0.000848651 34
10170 204 H 41.879 41.807 14.3964 -0.00724182 0.00429409 0.00202147 34
10171 205 H 42.4377 40.0235 12.5482 -0.0108259 -0.0121361 0.00966906 34
10172 206 H 40.7583 40.3089 11.9643 -0.00830724 0.0102291 -0.00400874 34
10173 207 H 41.5186 42.7983 11.7083 -0.00137936 -0.00114455 -0.00290345 34
10174 208 H 43.1077 42.27 11.962 0.00249181 0.0114809 -0.0066388 34
10175 209 H 42.5057 40.356 10.0702 0.0166851 0.00323837 -0.00123013 34
10176 210 H 41.2176 41.533 9.73259 0.0031068 0.00247267 -0.00236051 34
10177 211 H 42.9643 43.2575 9.36535 -0.0100963 -0.000915551 -0.0102951 34
10178 212 H 44.1931 41.9631 9.5445 0.00500305 0.00527096 0.00203313 34
10179 213 H 43.7402 42.5358 7.11636 -0.00328193 0.00657197 0.010794 34
10180 214 H 43.0251 40.9144 7.39206 -0.00390692 -0.000394674 -0.00547602 34
10181 215 H 40.8789 41.6814 7.20846 0.000626805 -0.000647714 -0.00109192 34
10182 216 H 41.212 43.2838 7.75518 -0.000464761 -0.0040135 0.00496526 34
10183 217 H 40.7996 43.4536 5.32796 -0.000355977 -0.0046197 -0.0078043 34
10184 218 H 42.4857 43.8761 5.60456 -0.0033541 -0.000172342 -0.01264 34
10185 219 H 43.0557 41.5385 4.77426 0.0029133 0.00791283 0.00677437 34
10186 220 H 41.3135 41.221 4.50356 -0.0060096 0.00350477 0.0171929 34
10187 221 H 41.2572 43.312 3.02946 -0.00617636 -0.00100473 -0.0136419 34
10188 222 H 42.9988 43.4272 3.15787 -0.000509916 0.00118813 0.00397684 34
10189 223 H 42.7244 42.3883 1.14533 0.00982494 -0.000942889 0.00529449 34
10190 224 H 43.2043 41.0156 2.15176 0.0035866 0.0078351 0.0128405 34
10191 225 H 40.2753 41.8546 1.30826 0.00253582 0.00330214 0.00609962 34
10192 226 H 41.23 40.5743 0.613126 -0.00337601 0.00890484 -0.00826057 34
10193 227 H 40.7571 40.405 2.29412 -0.00374283 -0.00149485 0.000475266 34
10194 228 H 30.2351 37.6758 32.2797 -0.00127531 0.00334901 0.00666853 34
10195 229 H 31.0478 36.1995 32.8652 -0.00475308 -0.000118348 0.00333569 34
10196 230 H 32.0546 37.8132 34.648 0.00267639 0.00412825 -0.00486776 34
10197 231 H 30.9058 39.0323 34.0605 0.00201708 0.00834682 0.012695 34
10198 232 H 28.9972 37.4131 34.5896 0.00255083 0.0158064 -0.00847812 34
10199 233 H 30.171 36.2582 35.1255 -0.00543251 -0.00406261 -0.00357811 34
10200 234 H 30.7766 38.605 36.6598 0.00402554 0.00155671 -0.00387287 34
10201 235 H 29.0257 38.5398 36.6278 -0.00461637 -0.00490569 -0.00429878 34
10202 236 H 28.8478 36.4622 37.6529 -0.00267568 0.00578087 -0.000285515 34
10203 237 H 30.47 35.989 37.2484 0.0101968 0.00566814 0.00519055 34
10204 238 H 30.6612 36.3817 39.5869 -0.00498593 -0.00323863 -0.00674123 34
10205 239 H 31.3351 37.8032 38.9386 -0.00454851 0.00650506 -0.00792036 34
10206 240 H 29.3453 39.1682 39.3053 -0.00163824 -0.000309583 -0.00223755 34
10207 241 H 28.3875 37.7255 39.7127 -0.00607494 0.014025 -0.0272362 34
10208 242 H 30.8665 38.5462 41.2983 0.00451612 0.000300869 -0.0178948 34
10209 243 H 29.2208 39.1342 41.6334 0.00503643 0.00125019 -0.00460295 34
10210 244 H 28.4255 37.0376 42.3154 -0.000724419 0.0106064 -0.0128187 34
10211 245 H 29.7612 36.1594 41.4589 -0.00210089 0.00268033 -0.0091482 34
10212 246 H 30.1493 36.0292 43.8946 -0.00332393 0.00166174 -0.00473085 34
10213 247 H 31.3554 37.1907 43.1923 0.00317184 0.0137523 0.0044838 34
10214 248 H 30.162 39.0508 44.1151 0.00186989 -0.0033029 -0.00255245 34
10215 249 H 28.7254 38.0964 44.4864 0.00154341 -4.22045e-05 0.00336101 34
10216 250 H 29.8872 38.5486 46.5841 -0.00380346 0.00845133 -0.0117243 34
10217 251 H 30.1254 36.839 46.1951 0.010837 -0.0046133 -0.00872235 34
10218 252 H 31.4468 38.0202 45.8885 0.00264006 -0.0138749 -0.0171594 34
10219 253 H 37.6968 41.5142 32.8825 -0.00111689 0.000829957 0.00113495 34
10220 254 H 36.0243 42.0269 32.8825 0.0032816 0.00418354 -0.0035004 34
10221 255 H 35.7815 40.6529 35.0143 0.0106509 -0.0194337 -0.00198418 34
10222 256 H 37.5095 40.4712 35.0324 0.00091218 -0.00041969 0.00735443 34
10223 257 H 37.981 42.8512 35.2857 0.00142813 0.00878634 -0.00696771 34
10224 258 H 36.398 43.2807 34.7378 -0.00107164 -0.0105166 -0.00548479 34
10225 259 H 36.2807 43.7464 36.9287 0.0101283 0.0034897 -0.0269498 34
10226 260 H 35.4937 42.2101 36.971 0.00378295 -0.00553187 0.00259812 34
10227 261 H 37.4921 41.1479 37.8712 0.0142843 0.000395697 0.00197881 34
10228 262 H 38.4999 42.5808 37.6314 0.000487349 0.010593 0.0102902 34
10229 263 H 37.17 43.8004 39.399 0.00173326 0.00546141 -0.0130419 34
10230 264 H 36.1546 42.4218 39.5962 -0.0017054 0.00780898 0.0135281 34
10231 265 H 38.0924 40.9705 40.2956 -0.000736025 -0.00169138 0.00193731 34
10232 266 H 39.1441 42.3814 39.9639 -0.00331322 0.00407903 -0.00643431 34
10233 267 H 38.9936 42.1221 42.2844 0.00946887 0.000898822 -0.0134784 34
10234 268 H 38.1637 43.6261 41.8615 0.00330727 -0.00082674 0.000530593 34
10235 269 H 35.9543 42.43 42.1155 0.00177674 -0.0130142 -0.0122244 34
10236 270 H 36.7746 40.9683 42.6436 -0.000335074 -0.00116383 0.0038691 34
10237 271 H 37.1824 43.698 44.0578 0.00514007 -0.000336845 -1.98631e-05 34
10238 272 H 35.7242 42.8021 44.3394 0.00394769 0.00803842 0.013111 34
10239 273 H 37.2664 40.8488 44.9433 -0.00998346 0.00532061 -0.0030838 34
10240 274 H 38.6443 41.9277 45.0652 -0.002249 -0.00790194 0.000166801 34
10241 275 H 37.8627 41.7218 47.3241 0.00302615 0.00395036 0.00767285 34
10242 276 H 37.335 43.3397 46.7312 -0.00217798 -0.00113462 -0.0014304 34
10243 277 H 36.1543 42.1269 46.9427 0.00260894 0.0102725 0.00520504 34
10244 278 H 36.6982 33.0593 33.2996 -0.00814187 0.000605925 -0.00622073 34
10245 279 H 38.1035 34.1151 33.5652 -0.000375556 0.000393779 0.00636097 34
10246 280 H 35.7459 33.8054 35.4427 -0.00430705 0.000675457 -0.00648001 34
10247 281 H 37.004 34.9716 35.6362 -0.00536057 0.00122307 0.00182652 34
10248 282 H 38.6219 32.8027 35.468 0.00534598 0.00247543 0.00763523 34
10249 283 H 37.2283 31.8736 35.9136 0.0179077 -0.0111824 0.00687187 34
10250 284 H 38.6059 34.0586 37.4895 -0.00839877 0.00423885 -0.000844285 34
10251 285 H 38.4952 32.3501 37.9479 0.0122792 0.00399671 -0.00032253 34
10252 286 H 36.0922 32.5805 38.2074 0.00464691 -0.00909938 0.00819433 34
10253 287 H 36.1335 34.3092 38.0437 0.00623158 0.00275337 0.00239494 34
10254 288 H 36.1962 34.2592 40.3145 0.00586547 0.00693041 0.00531885 34
10255 289 H 37.9475 34.2109 40.0028 0.00543733 -0.00970237 -0.00546728 34
10256 290 H 37.5282 31.582 40.0196 0.00160515 -0.00451558 0.0159412 34
10257 291 H 35.9783 32.0218 40.7632 0.00329353 -0.00175925 0.0112423 34
10258 292 H 38.7238 32.7959 41.9006 -0.00280887 0.00156478 -0.00152325 34
10259 293 H 37.8548 31.3573 42.333 -0.00640174 0.00376428 0.00855296 34
10260 294 H 36.0209 32.9326 43.319 -0.000454303 0.00390141 -0.00564875 34
10261 295 H 37.1279 34.2824 42.9521 -0.00530676 0.003346 0.00469627 34
10262 296 H 38.8924 33.0347 44.4289 0.0013988 0.00478535 -0.00634621 34
10263 297 H 37.6544 31.8225 44.6851 0.00257677 -0.00549368 -0.011089 34
10264 298 H 36.2258 33.4811 45.8336 -0.00569506 0.0123083 -0.015179 34
10265 299 H 37.46 34.7596 45.644 -0.00760873 0.000981704 0.002419 34
10266 300 H 37.5057 33.6085 47.9287 -0.0161218 0.012423 -0.00411733 34
10267 301 H 39.0375 33.452 46.9817 0.00250512 -0.0119277 0.0193532 34
10268 302 H 37.9116 32.1182 47.0211 -0.0151887 -0.00051235 0.00365437 34
10269 1 C 40.9302 33.9754 31.1261 -0.00323097 -0.00366825 -0.000337999 35
10270 2 C 41.1175 33.9146 29.7558 0.00529124 0.000822136 -0.00362486 35
10271 3 C 40.6804 32.8109 29.0732 -0.00138006 -3.97072e-05 0.00447622 35
10272 4 C 39.9606 31.8037 29.7931 -0.000284239 0.000756371 -0.000459209 35
10273 5 C 39.7663 31.8807 31.2043 -0.00261701 -0.00137305 0.00273857 35
10274 6 C 40.2797 33.0037 31.8864 -0.000316112 -5.18656e-05 0.00367954 35
10275 7 C 35.3538 30.879 30.4019 -0.00307465 -0.000694742 -0.000627113 35
10276 8 C 35.5948 30.7889 29.0364 0.00187677 0.00404737 -0.00370212 35
10277 9 C 36.9275 30.6749 28.5756 -0.000412894 -0.000405308 0.00039392 35
10278 10 C 37.922 30.6104 29.547 0.00494946 0.000808418 -0.00242935 35
10279 11 C 37.6656 30.6482 30.9374 0.00190312 -0.0046876 0.0014706 35
10280 12 C 36.3503 30.7596 31.3959 0.000713204 0.00180451 0.000493497 35
10281 13 C 40.9544 27.2924 31.4407 -0.000695732 -0.000825537 0.00164569 35
10282 14 C 41.1004 27.2322 30.056 -0.00287439 -0.00284433 0.00345894 35
10283 15 C 40.6416 28.2941 29.3011 0.00115216 -0.00394541 -0.00448042 35
10284 16 C 39.9672 29.3818 29.9192 -0.00325515 0.00295866 0.000377525 35
10285 17 C 39.3758 30.561 29.1478 -0.00170982 -0.00250097 -0.00164971 35
10286 18 O 40.0525 28.2582 33.4509 0.000512898 0.00297407 -0.000639409 35
10287 19 O 36.0154 30.7792 32.7515 0.00171596 -0.00129558 0.00439951 35
10288 20 O 40.2023 33.1721 33.2695 8.35331e-05 -0.000967786 0.0026247 35
10289 21 C 40.255 28.3219 32.0814 0.000975988 -0.00398272 0.000810513 35
10290 22 C 39.7123 30.4646 27.7156 0.0034761 -0.00287488 0.000264253 35
10291 23 C 40.1635 30.472 26.6011 0.00309909 0.000651936 -0.000305837 35
10292 24 C 40.9118 30.5486 25.3921 0.00153221 -0.000403327 -0.00307234 35
10293 25 C 41.432 31.7765 24.957 -0.000269324 -0.000879008 -0.001126 35
10294 26 C 42.3518 31.7641 23.9145 -0.00244368 -0.00232327 -0.000799707 35
10295 27 C 42.7335 30.5901 23.2206 -0.00169483 -0.00188931 0.00716437 35
10296 28 C 42.1783 29.3574 23.6191 -0.000492101 0.00112521 -0.00102321 35
10297 29 C 41.2357 29.3311 24.6923 0.00108217 -0.000564393 0.0032289 35
10298 30 C 43.5041 30.6808 22.0281 -0.000864392 0.00368399 0.00233943 35
10299 31 C 43.9868 30.7473 20.9365 0.00380122 -0.00166925 -0.000437419 35
10300 32 C 42.8072 27.1554 18.7099 -0.000528557 0.00157091 0.00202742 35
10301 33 C 42.867 27.1902 17.2733 -0.00141001 0.00179773 -0.00346199 35
10302 34 C 43.3641 28.326 16.6179 -0.00167816 0.000111256 0.00421966 35
10303 35 C 43.7743 29.4223 17.3889 0.00444157 0.000298087 -0.00147969 35
10304 36 C 43.6727 29.4709 18.8033 -0.000541313 0.000965659 0.00108033 35
10305 37 C 43.1625 28.3232 19.4481 0.00179599 -0.00167604 -0.00364186 35
10306 38 C 44.2871 30.7314 19.4727 0.00457165 -1.43307e-05 0.00140449 35
10307 39 C 48.1173 30.9047 19.1314 -0.000297751 -0.000898513 -0.00550741 35
10308 40 C 48.2129 30.9407 17.7531 0.00422016 0.00428531 -0.00287537 35
10309 41 C 47.0392 30.969 16.9417 -0.0020042 -0.00368625 0.00162762 35
10310 42 C 45.8043 30.7588 17.5525 0.00124807 -0.00186213 -0.00254507 35
10311 43 C 45.7137 30.7827 18.9637 0.000440333 -0.00179971 -0.0017785 35
10312 44 C 46.8778 30.8131 19.757 0.00308663 -0.00315071 9.86002e-06 35
10313 45 C 42.1234 33.8977 18.5101 -0.00248846 0.00187329 0.00224853 35
10314 46 C 42.2763 33.8476 17.1209 -0.00113738 0.001186 0.00247365 35
10315 47 C 43.0628 32.8302 16.5539 -0.0069262 0.00190065 0.00154699 35
10316 48 C 43.6608 31.8296 17.3588 4.60365e-06 0.000627532 0.00354911 35
10317 49 C 44.454 30.6603 16.803 -0.00224578 -0.00305363 -0.00116495 35
10318 50 C 43.5439 31.8969 18.7709 -0.000151637 -0.000306318 0.000522514 35
10319 51 C 42.8085 32.9653 19.3579 -0.010512 0.00266311 -0.00237617 35
10320 52 O 47.1973 31.3845 15.6378 0.00467474 -0.000842921 0.00190001 35
10321 53 O 43.4924 28.3363 15.273 0.000898818 0.00130718 6.81772e-05 35
10322 54 O 43.3303 32.874 15.2224 0.00515801 0.00350099 0.00041463 35
10323 55 C 38.9876 30.6744 31.7588 0.00102119 0.000185947 0.0009742 35
10324 56 C 39.793 29.4129 31.2938 0.00530153 0.00113497 -0.00035947 35
10325 57 C 47.024 30.5241 14.5279 0.000459245 -0.00180292 0.00488593 35
10326 58 C 46.8542 31.3923 13.2707 -0.00407599 0.00260755 0.00587348 35
10327 59 C 46.6242 30.6112 11.9693 0.00134339 0.00470407 0.0045481 35
10328 60 C 46.4769 31.4046 10.6723 0.00218553 0.000145181 0.00253809 35
10329 61 C 46.416 30.4713 9.40965 0.0024532 -0.0012861 0.00445187 35
10330 62 C 46.1606 31.2876 8.13076 0.00330852 -0.00361733 0.00402931 35
10331 63 C 46.2344 30.3872 6.86549 -0.00222301 0.00157907 0.00149929 35
10332 64 C 46.059 31.0607 5.46878 0.00247418 0.00132301 -0.00158906 35
10333 65 C 46.0257 29.9341 4.41638 0.00146281 -8.64363e-06 0.000909031 35
10334 66 C 45.587 30.3494 3.00225 -0.00221773 -0.000302493 0.00191778 35
10335 67 C 46.6907 31.0914 2.27415 -0.00180669 -0.00342399 -0.00222066 35
10336 68 C 46.3892 31.3325 0.761162 -0.000604366 -0.00127472 -0.00243488 35
10337 69 F 42.7503 32.9802 23.4627 -0.00432319 -0.00052115 -0.000726558 35
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10349 81 C 46.6536 26.5978 1.91621 -0.00335751 -0.00269348 0.00307794 35
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10355 87 C 42.8347 33.6287 8.71116 0.00363445 -0.00206324 0.000252621 35
10356 88 C 41.8893 34.1325 7.58827 0.00487101 0.00480674 0.0031381 35
10357 89 C 41.094 33.0542 6.7903 0.00226234 0.000261639 0.00244805 35
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10363 95 C 34.5568 30.9163 34.7078 0.000319574 9.88437e-05 0.00343098 35
10364 96 C 33.128 31.039 35.333 0.0044419 -0.00523619 0.000239172 35
10365 97 C 32.9632 30.7585 36.8449 0.000312694 -8.0586e-05 0.00237449 35
10366 98 C 33.8548 31.5186 37.7885 0.00314477 0.000765232 -0.00160536 35
10367 99 C 33.4045 31.5056 39.2694 0.000942943 0.00167252 -0.00312384 35
10368 100 C 33.5667 30.182 40.0223 0.00321281 -0.000921469 0.00043265 35
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10370 102 C 33.8637 31.0037 42.487 0.00209883 0.00496286 0.00066152 35
10371 103 C 33.44 30.7735 43.9624 0.000962741 -0.00236679 0.000894333 35
10372 104 C 34.3971 31.3885 45.0136 0.00163414 -0.00113391 0.000988687 35
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10379 111 C 42.0106 35.7382 39.5837 -0.00282038 -0.0035068 -0.000249532 35
10380 112 C 40.5752 35.4411 40.0648 0.00362288 -0.00214791 -0.0003318 35
10381 113 C 40.4117 34.8008 41.4658 -0.00133934 0.00135365 0.00175375 35
10382 114 C 41.1986 35.5298 42.6374 0.0022231 0.000821184 -0.00576859 35
10383 115 C 40.8533 34.964 43.9927 0.00199667 -0.00137608 -0.000526045 35
10384 116 C 41.5204 35.737 45.1597 0.00223722 0.000825061 0.00153446 35
10385 117 C 41.1236 35.2696 46.5813 0.00113281 -0.00457582 0.00395889 35
10386 118 C 40.4767 27.0874 34.2241 0.00103798 0.00175746 0.00169725 35
10387 119 C 40.1366 27.1598 35.7078 -0.000546285 0.00242761 2.83649e-05 35
10388 120 C 41.2283 26.4643 36.5282 -0.00199593 0.000495512 -0.0019033 35
10389 121 C 40.9586 26.504 38.044 -0.000426861 0.00257988 -0.000240795 35
10390 122 C 42.2024 25.9842 38.8174 0.0055541 -0.00186474 0.00220204 35
10391 123 C 42.181 26.1465 40.3546 -0.0022168 0.0011244 0.00323967 35
10392 124 C 41.0922 25.3609 41.0906 0.00553787 -0.0021269 0.000760773 35
10393 125 C 41.3339 25.2785 42.586 -0.000114696 -0.00285228 0.00304614 35
10394 126 C 41.4831 26.6526 43.3106 0.00127558 0.00460149 0.00342518 35
10395 127 C 41.3628 26.6022 44.8487 -0.00278085 0.00374198 -0.00141508 35
10396 128 C 42.3025 25.5853 45.5267 -0.000197205 -0.00362595 0.00331789 35
10397 129 C 42.2928 25.5945 47.0472 -0.00050401 0.00455951 0.000104543 35
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10417 149 H 41.7571 34.552 16.4777 0.00553654 0.0150945 0.0123469 35
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10456 188 H 44.8331 26.2886 9.35083 0.000281949 -0.00180814 -0.00142182 35
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10459 191 H 46.067 24.3537 8.16906 -0.00268526 -0.00161076 -0.00763154 35
10460 192 H 45.0248 26.3006 6.89507 -0.00130984 -0.0117687 -0.0185764 35
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10465 197 H 46.8338 27.2719 4.7 -0.00600149 -5.14797e-05 0.0148085 35
10466 198 H 48.1132 25.7954 3.32246 -0.00661244 -0.00619006 0.0121361 35
10467 199 H 46.8537 24.6598 3.03895 0.00364861 0.00210053 0.00429573 35
10468 200 H 47.276 26.2526 1.0814 0.00545301 -0.00328233 0.00986389 35
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10475 207 H 43.0048 30.6078 11.3766 0.00511455 0.00177449 -0.000193881 35
10476 208 H 41.4088 31.0708 11.767 0.000586512 0.00262645 -0.00850524 35
10477 209 H 41.9681 33.4376 11.5437 -0.00326663 -0.00579613 0.00508482 35
10478 210 H 43.6964 33.0625 11.3035 -0.000274939 -0.000207786 0.00452709 35
10479 211 H 43.0449 31.6295 9.28258 -0.00952401 0.00306318 -0.01237 35
10480 212 H 41.3821 32.1427 9.45205 0.00704097 -0.0162223 0.00629697 35
10481 213 H 43.1099 34.4983 9.32058 0.000960275 0.00124254 -0.00325152 35
10482 214 H 43.7941 33.3191 8.2787 0.00473953 0.00670735 -0.00354922 35
10483 215 H 41.1399 34.8291 7.98393 -0.0123582 -0.00914506 -0.00482096 35
10484 216 H 42.5634 34.6743 6.91345 0.00749877 -0.00928323 -0.00557235 35
10485 217 H 40.6937 32.3302 7.51065 -0.0127003 0.00614593 -2.5017e-05 35
10486 218 H 40.2593 33.4191 6.17908 0.00559817 0.00479556 0.00061097 35
10487 219 H 42.9643 31.9329 6.54583 0.00522036 -0.000793242 0.00415835 35
10488 220 H 41.5995 31.2901 5.63885 -0.000226018 0.000930847 -0.00307633 35
10489 221 H 43.1283 33.7835 4.83721 -0.00467277 0.00767931 -0.0121663 35
10490 222 H 43.3302 32.1941 4.15191 0.0141918 0.00492937 0.0187441 35
10491 223 H 40.8601 32.0766 3.69092 0.00411219 -0.00442207 -0.00277608 35
10492 224 H 40.7692 33.805 3.87357 -0.0166032 -0.00897589 -0.0130063 35
10493 225 H 42.6836 33.7656 1.90919 -0.00681559 -0.000374447 -0.0104679 35
10494 226 H 42.332 32.0896 1.80922 0.0202643 0.014667 -0.0126594 35
10495 227 H 41.0891 33.267 1.41695 -0.0078944 0.00499272 0.014352 35
10496 228 H 34.4062 32.1416 32.9183 -0.0130443 0.000893874 0.00706746 35
10497 229 H 33.9396 30.4732 32.6872 0.00835829 -0.0114012 0.00717225 35
10498 230 H 34.9167 29.9059 34.9382 0.0125018 0.00129049 -0.0103064 35
10499 231 H 35.2269 31.6076 35.2337 -0.00282036 -0.000158207 0.00777598 35
10500 232 H 32.6818 32.0155 35.1078 0.0128512 0.000193892 0.00716916 35
10501 233 H 32.4244 30.3307 34.8784 0.00504462 -0.00755955 0.00291563 35
10502 234 H 31.9268 30.9369 37.1572 -0.00115156 -0.0127468 0.00473592 35
10503 235 H 33.1943 29.7056 37.0479 -0.00624921 -0.00216954 -0.00100737 35
10504 236 H 34.7825 30.9371 37.7193 0.00839266 0.00848853 0.0043409 35
10505 237 H 33.9907 32.5465 37.4302 0.0068278 -0.000888822 -0.00494378 35
10506 238 H 33.9407 32.3039 39.7971 0.0080231 -0.00782533 0.00402527 35
10507 239 H 32.3476 31.7939 39.3278 0.00110533 -0.0021661 0.019242 35
10508 240 H 33.1704 29.3195 39.4723 -0.00130387 -0.000759332 0.00344915 35
10509 241 H 34.6476 29.995 40.0239 -0.00132687 -0.027037 0.0129754 35
10510 242 H 32.0163 30.3777 41.5721 -7.77067e-05 -0.00589053 0.00120532 35
10511 243 H 33.185 29.079 41.8281 -0.00562807 0.000988852 -0.00255119 35
10512 244 H 34.9258 30.7629 42.3556 0.00136239 -7.66257e-05 0.00399767 35
10513 245 H 33.8268 32.0631 42.2048 0.00542046 0.00124726 -0.0137697 35
10514 246 H 32.4224 31.1338 44.1579 0.0029112 0.0029842 0.00119363 35
10515 247 H 33.4717 29.705 44.2088 0.0098538 -0.00176388 0.00244118 35
10516 248 H 35.3514 30.8676 44.8675 0.00406296 -0.000746391 0.0156581 35
10517 249 H 34.5476 32.4628 44.8504 -0.0126058 -0.000384618 -0.0071605 35
10518 250 H 32.8849 31.4992 46.5834 -0.00115061 -0.00996291 0.0155145 35
10519 251 H 33.9848 30.0895 46.6047 -0.0104103 -0.00821887 -0.0238515 35
10520 252 H 34.5511 31.7038 47.1442 0.0049815 -0.0194332 0.00738578 35
10521 253 H 41.874 34.4248 33.5454 -0.000398426 -0.00369362 0.0072655 35
10522 254 H 40.2728 35.2265 33.3583 -0.00630265 -0.00668982 -0.00754369 35
10523 255 H 39.6664 34.6493 35.6614 0.00405784 -0.005605 0.00551056 35
10524 256 H 41.1948 33.6884 35.7992 -0.0133028 -0.0120718 -0.000656706 35
10525 257 H 42.4383 35.8932 35.3017 -0.000255493 -0.0032028 -0.00143916 35
10526 258 H 40.9404 36.6743 35.08 0.010884 0.00684469 -0.00690916 35
10527 259 H 41.689 37.3209 37.2733 0.0117045 -0.00172499 -0.01764 35
10528 260 H 40.3394 36.2766 37.4995 -0.00591469 -0.00650564 -0.00973448 35
10529 261 H 41.9896 34.3642 37.9763 -0.00420468 0.00708783 0.00622567 35
10530 262 H 43.2691 35.6141 37.8188 -0.000752989 0.0064681 -0.00500647 35
10531 263 H 42.7378 35.1681 40.175 0.00892296 0.00465273 -0.00681376 35
10532 264 H 42.2163 36.805 39.7356 0.00466137 -0.00415762 -0.00578249 35
10533 265 H 40.1158 36.4355 40.1238 -2.51237e-05 -0.00456464 0.0121508 35
10534 266 H 40.0092 34.8377 39.3444 -0.00587509 0.00296391 0.00284403 35
10535 267 H 39.3522 34.8358 41.7479 -0.00486957 -0.00906522 -0.0102833 35
10536 268 H 40.6883 33.7417 41.3948 0.00341125 0.00383522 -0.0168729 35
10537 269 H 42.2802 35.4022 42.5057 0.000879983 -0.00509962 -0.011063 35
10538 270 H 41.0183 36.6096 42.5664 0.00307908 0.000407084 -0.0145246 35
10539 271 H 39.7658 34.9193 44.1298 0.00117778 0.00978728 -0.00362508 35
10540 272 H 41.1577 33.9119 44.0531 -0.0126063 -0.00562045 -0.000639632 35
10541 273 H 42.6101 35.6858 45.0445 0.00135636 0.00356552 -0.00802302 35
10542 274 H 41.2571 36.8018 45.144 -0.000557905 0.000291366 0.0114915 35
10543 275 H 40.0283 35.3078 46.6278 0.00160505 0.014856 -0.000377463 35
10544 276 H 41.5052 34.2753 46.8444 0.0136869 -0.001633 -0.00312338 35
10545 277 H 41.4445 35.9501 47.3796 -0.011921 0.000693824 0.00472529 35
10546 278 H 40.1425 26.1472 33.7683 0.00102094 -0.00501078 0.0157015 35
10547 279 H 41.5687 27.0289 34.137 0.0037743 0.0305595 0.0168353 35
10548 280 H 39.1656 26.7027 35.9352 0.00341947 -0.00383655 0.00439137 35
10549 281 H 40.0967 28.2127 36.0134 -0.000403236 0.00248538 -0.000151319 35
10550 282 H 42.2018 26.9276 36.326 -0.00613801 0.00504431 -0.0113793 35
10551 283 H 41.3555 25.4207 36.2149 0.00525907 0.00381796 -0.0100161 35
10552 284 H 40.0983 25.855 38.2493 0.00817128 -0.0096833 -0.00288266 35
10553 285 H 40.722 27.5409 38.3128 0.00116342 0.00441918 -0.00590495 35
10554 286 H 43.1094 26.4891 38.4626 -0.00112816 0.0111972 0.00370249 35
10555 287 H 42.3267 24.9126 38.6183 -0.00759806 -0.00386582 0.00469298 35
10556 288 H 42.0208 27.2068 40.5859 0.0139324 0.00723443 -0.0136079 35
10557 289 H 43.1724 25.9357 40.7741 -0.00462044 -0.00851723 0.00402654 35
10558 290 H 40.898 24.4125 40.5746 0.00334512 -0.00107162 -0.00036874 35
10559 291 H 40.149 25.914 41.003 0.00740943 -0.00132363 -0.0141324 35
10560 292 H 42.229 24.6794 42.7936 -0.00900321 -0.0149511 0.00646707 35
10561 293 H 40.5032 24.7247 43.0406 -0.0119127 -0.00065449 -0.0158669 35
10562 294 H 40.673 27.3134 42.9782 0.00265819 0.00851799 0.00783135 35
10563 295 H 42.46 27.0871 43.065 0.00335278 -0.0158088 -0.0244109 35
10564 296 H 40.3288 26.3749 45.136 -0.00552941 0.00971122 -0.00661288 35
10565 297 H 41.6129 27.5449 45.3507 0.0057482 0.00236944 -0.00307824 35
10566 298 H 43.3255 25.7471 45.1652 0.00457662 -0.00781471 0.0149443 35
10567 299 H 41.981 24.5874 45.2038 -0.00405081 -0.00319674 0.00581785 35
10568 300 H 43.0475 24.9318 47.4885 -0.00702631 -0.00179013 0.00172978 35
10569 301 H 41.3352 25.2258 47.4354 0.00122069 0.010288 0.00979643 35
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10572 2 C 45.1972 40.7606 30.0728 -0.000793342 0.000810537 0.00390149 36
10573 3 C 44.7249 39.7378 29.2484 -0.00504557 0.00127431 -0.00248538 36
10574 4 C 43.9932 38.6867 29.8333 0.00159693 -0.00235336 0.000204837 36
10575 5 C 43.6722 38.6748 31.2206 0.00151591 -0.00418923 0.00218528 36
10576 6 C 44.1259 39.7555 32.0377 -0.000284405 -0.00244972 -0.00456803 36
10577 7 C 39.2514 37.3918 30.1971 0.00183311 0.00217092 -0.00142665 36
10578 8 C 39.5894 37.2826 28.8098 -0.00210342 0.00511772 0.00279999 36
10579 9 C 40.9095 37.4324 28.4146 -0.00149713 -0.00382403 0.0011226 36
10580 10 C 41.9559 37.4821 29.3828 0.00195814 -0.00120287 0.00125465 36
10581 11 C 41.6244 37.4128 30.7868 0.00143196 0.000570287 -0.000467729 36
10582 12 C 40.2551 37.4593 31.197 0.0042544 0.00142764 -0.00212791 36
10583 13 C 44.9121 34.1563 31.4224 -0.00151432 0.0033995 0.00296709 36
10584 14 C 45.1613 34.1517 30.0495 -0.00110125 -0.00355471 -0.00277847 36
10585 15 C 44.6485 35.1558 29.28 0.000256531 0.00109021 -0.000518513 36
10586 16 C 43.975 36.2183 29.9029 0.00335394 0.00484209 -0.00510994 36
10587 17 C 43.4751 37.4493 29.1237 -0.000381415 0.00248951 0.00297 36
10588 18 O 44.0182 35.0857 33.4902 0.00434379 -0.00303782 0.00161446 36
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10591 21 C 44.1867 35.1635 32.1029 -0.00398888 -0.000180912 -0.00258116 36
10592 22 C 43.8727 37.457 27.7356 0.00355724 0.00454084 -0.0019886 36
10593 23 C 44.4479 37.4231 26.6675 -0.00268449 0.000870126 0.00149755 36
10594 24 C 45.2734 37.3959 25.509 0.00429334 -0.0011474 0.000796824 36
10595 25 C 45.5978 38.615 24.903 0.00174642 0.00585893 -0.000201383 36
10596 26 C 46.4794 38.6427 23.79 0.000423011 0.000869499 -0.000796505 36
10597 27 C 47.0607 37.401 23.3967 -0.000445708 -0.00303451 0.00163523 36
10598 28 C 46.7354 36.2058 24.0162 0.00337062 -0.00256717 0.0017169 36
10599 29 C 45.8149 36.194 25.0464 -0.00317686 -0.000282281 -0.00421489 36
10600 30 C 47.7279 37.366 22.1346 6.26345e-05 0.00324741 -0.00203091 36
10601 31 C 48.149 37.3656 21.0039 -0.00292585 -0.00102665 -0.00240818 36
10602 32 C 46.2125 34.2196 18.7471 -1.97517e-05 0.00303665 1.09479e-05 36
10603 33 C 46.4527 34.1417 17.3387 -0.00168775 -0.00121996 0.00420799 36
10604 34 C 47.27 35.0754 16.7046 0.00157496 0.00045731 0.000391687 36
10605 35 C 47.7706 36.0872 17.4915 0.0010725 0.00180835 0.00134664 36
10606 36 C 47.6331 36.1692 18.9077 -0.00141462 -0.000261659 -0.000292157 36
10607 37 C 46.8656 35.1923 19.5507 0.00688342 0.00103327 0.000845085 36
10608 38 C 48.3392 37.3804 19.5735 -0.00289866 -9.11223e-05 0.00236063 36
10609 39 C 52.2301 37.4992 19.1807 -0.0025702 0.00563884 -0.0011921 36
10610 40 C 52.3021 37.4277 17.7784 -0.00105058 4.25702e-05 0.00352962 36
10611 41 C 51.1176 37.3305 17.012 -0.00203179 -0.00013789 8.69865e-05 36
10612 42 C 49.8892 37.2563 17.6451 -0.0064839 0.00280352 0.00316539 36
10613 43 C 49.8009 37.3758 19.0633 -0.000636504 0.000345958 0.00371734 36
10614 44 C 50.9777 37.4582 19.8411 -0.000560636 0.0024517 0.000789135 36
10615 45 C 46.6839 40.7451 18.727 -0.00139984 0.00423237 0.00305407 36
10616 46 C 46.8376 40.686 17.3291 -0.0035346 -0.00313253 -0.000711801 36
10617 47 C 47.4896 39.6171 16.6757 0.00173032 0.00403164 0.00444592 36
10618 48 C 47.8832 38.5368 17.4658 2.56716e-05 -0.00185623 0.000353982 36
10619 49 C 48.5683 37.2544 16.9272 0.00186803 -0.00357772 0.000634772 36
10620 50 C 47.7404 38.5787 18.8876 0.000203968 -0.00387862 0.000721741 36
10621 51 C 47.1212 39.6703 19.5186 0.00154851 0.00199459 -0.00107953 36
10622 52 O 51.1289 37.3086 15.6243 0.00108718 0.000621645 0.00128128 36
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10625 55 C 42.8679 37.4533 31.7263 -0.00138029 -0.00204625 0.000452237 36
10626 56 C 43.6746 36.2289 31.2769 -0.0012977 -0.0066432 -0.000479666 36
10627 57 C 51.9428 36.3098 15.0017 0.000519104 -0.000616871 -0.000347806 36
10628 58 C 51.1678 35.6568 13.8194 0.000726145 -0.00169 0.00124662 36
10629 59 C 50.6417 36.6687 12.7538 -0.00410804 0.00555775 0.000958888 36
10630 60 C 50.492 36.0047 11.392 -0.000218364 0.000643631 0.00201421 36
10631 61 C 50.02 36.906 10.2743 0.00138277 0.00418627 8.80972e-05 36
10632 62 C 49.991 36.187 8.92624 0.00521987 -0.000341384 0.00179893 36
10633 63 C 49.7517 37.0766 7.67112 -0.00479823 -0.00315909 0.00126976 36
10634 64 C 49.8462 36.221 6.40352 -0.0015898 0.00263847 0.00240259 36
10635 65 C 49.6517 37.0287 5.09403 0.00191708 0.000433776 0.00495471 36
10636 66 C 49.8889 36.1113 3.88407 -0.0013997 -0.00217812 0.000898357 36
10637 67 C 50.3156 36.7777 2.53209 0.0013459 6.42497e-05 0.00137322 36
10638 68 C 49.2357 37.6027 1.81306 -0.00295905 -0.00217676 -0.00257174 36
10639 69 F 46.7193 39.7757 23.0984 0.000766605 0.000901688 0.0023381 36
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10641 71 C 47.2104 34.9929 13.0937 -0.000752681 -1.22956e-05 0.000250336 36
10642 72 C 46.2065 34.8477 11.9192 -0.00342793 -0.00291729 -0.000856438 36
10643 73 C 46.8476 35.1175 10.5314 0.00334486 -0.00279882 0.00315726 36
10644 74 C 45.9174 34.8589 9.34646 -0.00265267 1.43333e-05 0.0022795 36
10645 75 C 46.5918 35.0965 7.95607 0.000172226 0.00374197 -0.000514267 36
10646 76 C 45.7281 34.8236 6.70297 -0.00225879 -7.90591e-05 -0.000881301 36
10647 77 C 46.4866 35.1519 5.42078 -0.00575733 0.00245619 -0.00283227 36
10648 78 C 45.6525 34.7163 4.1996 0.000414275 -0.00158366 0.00704032 36
10649 79 C 46.3678 35.0673 2.89733 4.41588e-05 0.000486425 0.00513619 36
10650 80 C 45.4591 34.8405 1.71874 0.000812634 -0.00282065 0.000577329 36
10651 81 C 46.1947 35.135 0.381558 0.00238824 -0.00265015 0.00278068 36
10652 82 C 48.8206 40.19 14.6947 0.000700423 -0.00309452 0.00273201 36
10653 83 C 48.7671 40.047 13.1901 0.000951558 0.00239322 -0.00398758 36
10654 84 C 49.6397 40.9865 12.3611 0.000427664 0.00242053 0.000157027 36
10655 85 C 49.4705 40.7164 10.8734 -0.00142281 0.000113664 0.000442617 36
10656 86 C 50.2751 41.7153 9.98681 -0.00556699 -0.00154577 -0.000341309 36
10657 87 C 50.5562 41.2052 8.58709 0.000218853 -0.00613777 0.00127126 36
10658 88 C 49.3581 40.7161 7.78935 -0.00328961 -0.000788063 0.00188867 36
10659 89 C 49.7935 40.2359 6.41755 0.00202462 -0.00273106 -0.00172843 36
10660 90 C 49.7904 41.3697 5.35621 -0.00121698 -0.00314743 -0.000124427 36
10661 91 C 49.8088 40.8193 3.93885 -0.000679908 -0.00186389 0.00263434 36
10662 92 C 49.7947 41.8719 2.80642 -0.0020791 0.00106291 0.000366607 36
10663 93 C 49.6406 41.2537 1.37288 -0.00103673 -0.00337097 0.00174231 36
10664 94 C 38.5658 37.5976 33.0003 0.00121246 -0.00190165 -0.00475714 36
10665 95 C 38.4549 37.3585 34.4996 -0.000695111 -0.00299881 -0.0014889 36
10666 96 C 37.0613 37.7314 35.0374 0.00403427 0.00129753 3.67051e-06 36
10667 97 C 37.1135 38.1192 36.5249 0.000449813 -6.08816e-05 -0.00728382 36
10668 98 C 37.4589 36.9249 37.3992 -0.00171659 -0.00331744 -0.000704509 36
10669 99 C 37.8824 37.302 38.8299 0.00302794 -0.000602505 0.00158756 36
10670 100 C 36.8861 38.2206 39.5853 -0.0043166 -0.00130865 0.00175004 36
10671 101 C 36.9295 38.1172 41.1463 0.000159565 0.00090401 0.00106679 36
10672 102 C 38.3084 37.9798 41.8113 0.0033053 -0.00123988 -0.00211546 36
10673 103 C 38.3331 38.2754 43.3416 -0.000279736 0.00317001 -0.00143695 36
10674 104 C 37.2953 37.5857 44.2109 0.00519125 -0.0037496 -0.00643605 36
10675 105 C 37.4706 37.7051 45.7455 0.0015557 0.00193181 -0.00135874 36
10676 106 C 43.7567 41.0734 34.0578 0.00171916 0.00278857 0.00137172 36
10677 107 C 44.8455 41.3225 35.1014 0.00186041 -0.00246502 -0.000802643 36
10678 108 C 44.3443 41.983 36.4074 -0.000227577 -0.00108937 -7.62217e-05 36
10679 109 C 45.3974 41.9174 37.5189 0.00117554 -7.0479e-05 0.00294353 36
10680 110 C 44.6906 42.0678 38.8814 0.00457288 0.0013424 -0.000266927 36
10681 111 C 45.5777 42.1056 40.0988 -0.00382792 0.00101049 -0.00352053 36
10682 112 C 44.7711 42.2362 41.3603 -0.000522088 -0.000311243 -0.00110754 36
10683 113 C 45.6824 42.1875 42.5999 -0.000715724 0.000678829 0.00409785 36
10684 114 C 44.9026 41.9748 43.9086 -0.00227709 0.0033563 0.00569614 36
10685 115 C 45.822 42.1277 45.1157 -0.00384635 0.00416741 0.00219144 36
10686 116 C 45.1972 41.585 46.4264 -0.00145682 -0.00341098 -0.00410192 36
10687 117 C 43.805 42.1691 46.7521 -0.00290643 0.00385822 0.00102376 36
10688 118 C 44.4275 33.9065 34.2425 -0.00100993 -0.00210859 -0.000564119 36
10689 119 C 44.4315 34.0185 35.7887 -0.00128176 -0.000368323 -0.00393032 36
10690 120 C 45.2885 32.935 36.5153 -0.00222161 -0.00355113 0.00330903 36
10691 121 C 45.7203 33.2891 37.9481 -0.00107002 0.000717099 -0.00247004 36
10692 122 C 44.7086 32.9051 39.0689 0.00172815 -0.00376484 0.000860135 36
10693 123 C 45.3874 33.0583 40.4707 0.000781827 0.00207766 -0.000603243 36
10694 124 C 44.5116 32.7288 41.6871 -0.00140336 -0.00421475 0.00299059 36
10695 125 C 45.1619 32.9965 43.0913 -0.00238252 -0.00238126 0.000105792 36
10696 126 C 44.1494 32.5808 44.1734 0.000967019 -0.0018052 0.0017288 36
10697 127 C 44.778 32.3954 45.5743 -0.00124146 -0.00344587 -0.00304948 36
10698 128 C 44.9343 33.7811 46.2658 0.000826045 0.000729865 -0.00222226 36
10699 129 C 45.8133 33.655 47.5533 -0.00164218 -0.000850784 -0.000644795 36
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10705 135 H 38.8036 37.2212 28.0627 0.00622907 -0.00321244 -0.00525678 36
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10711 141 H 45.5577 35.234 25.4842 -0.024012 0.00726595 3.61586e-05 36
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10716 146 H 53.2468 37.471 17.2445 0.00293536 -0.00232872 0.0104111 36
10717 147 H 50.9864 37.5457 20.9235 0.00642 -0.00891304 0.00166128 36
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10724 154 H 52.2766 35.53 15.6973 0.00590545 0.011353 0.0104796 36
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10727 157 H 51.2975 37.5418 12.6484 -0.00645992 0.00986416 0.0222875 36
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10742 172 H 50.6827 35.401 4.14638 -0.00202356 -0.000894776 0.00625175 36
10743 173 H 50.6532 35.9826 1.85586 5.66951e-05 -0.0109419 0.0136441 36
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10750 180 H 47.6296 36.0044 13.0256 0.00575542 -0.0021156 0.00928942 36
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10767 197 H 47.2612 34.4404 2.78631 0.00206537 0.00801642 -0.0209824 36
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10769 199 H 44.5863 35.5016 1.78661 0.00256991 -0.000365095 -0.000674335 36
10770 200 H 45.4338 35.1909 -0.406722 0.00197647 -0.00586435 0.00295096 36
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10775 205 H 48.9878 39.0049 12.9279 0.0100515 0.00169588 0.00648652 36
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10784 214 H 51.247 40.3572 8.67079 -0.00248833 -0.00685001 0.0164303 36
10785 215 H 48.9108 39.8675 8.3215 0.00443786 -0.00266466 0.00538031 36
10786 216 H 48.5498 41.4556 7.73409 0.00174273 0.00594015 0.0184247 36
10787 217 H 50.7731 39.7471 6.48686 -0.00426709 -0.0137629 0.00952907 36
10788 218 H 49.0813 39.4944 6.03502 -0.000598039 -0.000967273 -0.000261533 36
10789 219 H 48.8707 41.9644 5.41738 -0.000255598 -0.00260791 0.00891569 36
10790 220 H 50.6308 42.0486 5.54687 -0.0113404 0.00783388 0.00543526 36
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11901 123 C 16.7002 8.41813 89.7641 -0.0022617 0.00222338 -0.00148792 40
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11903 125 C 17.844 8.32419 92.1805 3.79994e-05 0.000482849 -0.00193427 40
11904 126 C 16.7466 7.70907 93.0122 -0.0054571 0.000699532 0.00487974 40
11905 127 C 17.2062 7.43405 94.4655 0.000737611 -0.00240615 -0.00225592 40
11906 128 C 17.5978 8.70878 95.2662 -0.00148577 0.00122993 0.001543 40
11907 129 C 18.1766 8.2993 96.6455 0.00018275 0.00251738 -0.0050195 40
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12457 75 C 17.37 5.7317 56.909 0.0024393 0.00561166 0.000620807 42
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12469 87 C 21.3834 12.8283 57.1891 0.00177521 0.00139485 0.00142318 42
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12471 89 C 21.1321 12.6353 54.6483 0.00199079 -0.00417709 0.000103549 42
12472 90 C 20.4488 12.0512 53.3854 0.00407217 0.00407339 -0.000750218 42
12473 91 C 21.0288 12.5812 52.0054 -0.00503749 -0.00185124 0.00197056 42
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12475 93 C 20.9273 12.5093 49.4647 -0.00252401 -0.000990558 -7.12026e-05 42
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12480 98 C 17.4466 12.3127 87.9524 0.00140888 0.00273064 0.00249126 42
12481 99 C 16.6529 12.2806 89.2732 -0.00111577 -1.38684e-05 0.00159589 42
12482 100 C 17.5326 12.2279 90.535 0.00451572 -0.00726922 -0.0017236 42
12483 101 C 16.7276 12.003 91.8402 0.00157854 -0.00281618 -0.000210143 42
12484 102 C 17.532 12.2491 93.1003 -0.000194292 0.00374956 -0.00263776 42
12485 103 C 16.6899 12.1362 94.3711 -0.000799817 0.000964516 0.00235998 42
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12487 105 C 16.6265 12.3145 96.9591 -0.00339685 -0.00244935 0.00361839 42
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12490 108 C 24.7174 17.2248 84.6307 -0.000407785 -0.000785179 0.00138569 42
12491 109 C 25.1999 17.1531 86.1073 0.000338588 0.000254922 0.00121784 42
12492 110 C 24.089 16.6851 87.0491 -0.00308653 -0.000456537 0.00601633 42
12493 111 C 24.2204 17.0489 88.5408 -0.00561006 -0.00413485 0.00253514 42
12494 112 C 25.5126 16.5276 89.2244 0.00170568 -0.00136993 -0.00128538 42
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12497 115 C 25.2586 16.8356 93.1459 0.00247389 -0.00603762 -0.00149987 42
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12500 118 C 24.3185 9.24699 83.555 -0.000721069 -0.00019517 -0.00168956 42
12501 119 C 23.9591 7.813 83.8489 -0.00226352 -0.00272366 -0.0066466 42
12502 120 C 24.7589 7.18538 85.0231 -0.00131356 -0.00306728 0.00280855 42
12503 121 C 24.2582 7.71483 86.3986 0.00314825 0.00209203 0.00155217 42
12504 122 C 25.0921 7.18281 87.6029 -0.000357454 0.000665396 -0.00133477 42
12505 123 C 24.5866 7.6838 88.9491 0.000724498 -0.00182195 -0.00181546 42
12506 124 C 25.5655 7.32929 90.0968 -0.00348802 -0.003842 0.00171782 42
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12508 126 C 25.8783 7.41654 92.6389 -9.39859e-05 0.000329809 0.00167857 42
12509 127 C 25.2029 7.91144 93.9561 0.000703496 8.13065e-05 0.00656183 42
12510 128 C 26.0475 7.56564 95.1796 -0.00385316 -0.00116944 0.00051151 42
12511 129 C 25.5048 8.19908 96.4998 0.000388002 -0.00106565 0.00406822 42
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12812 128 C 28.3926 1.44698 94.9848 -0.0034057 0.000654929 0.000170117 43
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12917 233 H 19.6516 5.77993 84.9667 -0.00632417 -0.0138033 0.0116866 43
12918 234 H 19.2467 5.91864 87.3331 -0.000970793 -0.0016927 0.000137451 43
12919 235 H 19.9432 4.34484 86.9902 0.0146178 -0.00152463 0.0118513 43
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12925 241 H 21.9825 6.87361 90.5593 0.000419244 0.00223898 0.00230994 43
12926 242 H 19.9557 6.44232 91.9488 0.0015297 0.00313559 0.000809095 43
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12930 246 H 20.1531 6.97002 94.405 -0.0073961 -0.00387699 0.0081679 43
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12933 249 H 21.0114 6.55168 96.5809 0.00973321 0.00186238 0.00515797 43
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12936 252 H 23.2151 5.41826 97.0486 -0.00134329 0.0047953 0.00237337 43
12937 253 H 28.8727 9.00131 83.1475 0.000858092 0.00723306 0.00300653 43
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12945 261 H 27.2191 9.98662 88.1683 0.00536036 0.0105499 -0.0121494 43
12946 262 H 28.2953 8.64396 88.3231 -0.00075402 -0.00338839 0.0101112 43
12947 263 H 30.006 10.2838 89.4751 0.0033017 0.00819256 0.0130522 43
12948 264 H 28.7433 11.3677 89.7311 0.00679716 0.00244105 0.00458001 43
12949 265 H 27.4001 9.68311 91.0802 0.00412572 0.00014143 -0.00876445 43
12950 266 H 28.6794 8.55176 90.8729 0.00921967 0.00074755 0.00014 43
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12952 268 H 28.9734 11.3069 92.1207 -0.00800407 -0.00255223 0.014102 43
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12964 280 H 29.3907 2.07762 84.5235 0.00141405 0.00172577 -0.0125776 43
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12969 285 H 28.6391 1.94678 87.1066 -0.003898 0.000373179 0.00255084 43
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12974 290 H 29.4066 -0.260511 90.734 -0.00522818 0.0126791 0.0140387 43
12975 291 H 27.9794 -1.27193 90.6456 -0.00247728 -0.0050515 0.011383 43
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12978 294 H 29.1678 -0.678497 93.2186 -0.00225611 -0.00645075 0.0136448 43
12979 295 H 27.5792 -1.42819 93.1358 -0.00845018 0.00325126 0.0026318 43
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12988 2 C 31.8956 15.0714 78.5074 -0.000291209 -0.00119877 -0.00126906 44
12989 3 C 31.339 13.9541 77.8503 -0.00106379 0.00424566 0.00124117 44
12990 4 C 30.6822 12.9982 78.6238 0.00356996 -0.000432579 7.27748e-05 44
12991 5 C 30.6295 13.0648 80.0599 0.00440675 0.000658449 -0.00115289 44
12992 6 C 31.2614 14.1177 80.6978 0.000370116 0.00296924 0.00370829 44
12993 7 C 26.0581 11.9164 79.8166 -0.000958744 -0.00744788 0.00132524 44
12994 8 C 26.1303 11.8809 78.4384 0.00455339 -0.00207427 -0.00119006 44
12995 9 C 27.4002 11.8825 77.828 0.00237175 -0.0016804 -0.00179176 44
12996 10 C 28.5367 11.8698 78.6489 -0.000745236 -0.0016105 0.000555 44
12997 11 C 28.4662 11.8893 80.0676 -0.000200032 0.00320473 0.0020867 44
12998 12 C 27.1959 11.9672 80.6574 0.00108017 -0.00227502 -0.00112462 44
12999 13 C 31.6233 8.47792 80.1506 0.0036362 -0.00342535 -0.00114033 44
13000 14 C 31.7843 8.54344 78.776 -0.00121373 -0.00417306 -0.00383639 44
13001 15 C 31.2092 9.58364 78.0609 -0.000773904 0.00421848 0.0025839 44
13002 16 C 30.5739 10.6094 78.7714 0.00296925 -0.00102885 -0.00841105 44
13003 17 C 29.9504 11.7812 78.0888 0.00019117 0.00103738 0.000977607 44
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13007 21 C 31.0698 9.53198 80.9159 -0.00308834 0.00247937 -0.00740544 44
13008 22 C 29.9707 11.6823 76.6699 -0.00353483 0.00408037 -0.00118448 44
13009 23 C 29.8958 11.4283 75.497 0.00101539 -0.000745093 0.000634128 44
13010 24 C 29.5893 10.9834 74.1732 -0.000112004 0.00372462 -0.00144229 44
13011 25 C 30.5483 10.3234 73.3961 -0.00517685 0.00639982 -0.00206519 44
13012 26 C 30.1959 9.8106 72.1596 0.00132361 0.00275682 0.00221167 44
13013 27 C 28.8326 9.86679 71.7758 0.00266463 0.00187785 0.000536259 44
13014 28 C 27.8763 10.4436 72.5943 0.00225418 -0.000715877 -0.00330373 44
13015 29 C 28.2917 11.0641 73.7679 -0.00361857 -0.00244122 0.00122731 44
13016 30 C 28.476 9.41698 70.4508 -0.000351505 -0.00254065 -0.00132679 44
13017 31 C 28.2319 9.16522 69.2879 0.000344271 -0.00201557 0.000700506 44
13018 32 C 25.7532 5.93141 67.7849 0.000379698 0.00179501 0.00172831 44
13019 33 C 25.7886 5.74064 66.3781 0.00129562 -0.00159572 -0.00216346 44
13020 34 C 26.322 6.67765 65.4811 0.00010138 0.00203084 -0.000489837 44
13021 35 C 26.995 7.76311 66.0304 -0.00412328 -0.000149129 -0.00585462 44
13022 36 C 27.1795 7.86332 67.4252 0.00126149 0.000195175 -0.0014495 44
13023 37 C 26.4704 6.97977 68.3049 -0.000836841 0.00363765 -0.00468952 44
13024 38 C 28.0835 9.04862 67.8529 0.00152989 0.00338761 0.000706476 44
13025 39 C 31.7513 8.75431 66.6548 -0.000224599 0.00268086 0.000442069 44
13026 40 C 31.531 8.74006 65.2998 -0.000379116 -0.00343304 -0.00185529 44
13027 41 C 30.2151 8.71475 64.7423 0.000311477 0.00223287 0.00223737 44
13028 42 C 29.1348 8.80569 65.6285 0.000860893 -0.00332487 0.000242605 44
13029 43 C 29.351 8.90397 67.0228 -0.000352093 -0.00260051 -0.00495291 44
13030 44 C 30.6588 8.78414 67.5397 0.00308555 -0.0013414 0.00447133 44
13031 45 C 26.1255 12.3744 67.2517 0.0010933 -0.0011543 -0.00370285 44
13032 46 C 26.1483 12.3651 65.875 0.00175725 0.00107462 -0.00180992 44
13033 47 C 26.6362 11.278 65.1473 -0.00291018 0.00285296 0.00402349 44
13034 48 C 27.1809 10.1774 65.8502 -0.00497852 0.000811517 0.00191673 44
13035 49 C 27.6977 8.86434 65.2267 -0.00573681 0.000835174 -0.00159083 44
13036 50 C 27.3092 10.2534 67.2554 -0.00114479 0.00224535 -0.00438903 44
13037 51 C 26.7354 11.315 67.9628 -0.00135614 -0.00078263 0.00202604 44
13038 52 O 30.0307 8.62327 63.3706 -0.00242269 -0.00280858 0.00132823 44
13039 53 O 26.4041 6.41962 64.1159 -0.00207416 0.00339977 -0.000121392 44
13040 54 O 26.773 11.3897 63.7787 -0.000882205 0.00447471 0.00412498 44
13041 55 C 29.8608 11.9154 80.7426 -0.000985248 0.000811454 -0.00385342 44
13042 56 C 30.5407 10.6265 80.1885 0.00559716 0.00261726 -0.00160866 44
13043 57 C 29.4839 7.38039 62.8864 0.00143835 -0.0037043 -0.00228839 44
13044 58 C 29.8026 7.28954 61.3805 -0.00729078 -0.00374262 0.000384236 44
13045 59 C 28.9295 8.2003 60.4965 -0.00114806 0.00373661 -0.000947215 44
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13275 289 H 33.4878 8.71513 88.7211 -0.00403138 0.00425284 0.00191084 44
13276 290 H 30.8043 7.63368 89.836 -0.00676676 0.00892308 -0.01824 44
13277 291 H 31.4875 9.14119 90.4756 -0.0121208 -0.00897719 0.00795561 44
13278 292 H 33.6254 7.81024 90.9201 -0.00244286 0.00398178 -0.00714459 44
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13285 299 H 33.2525 8.69624 95.0259 0.00862489 0.00156292 0.00549627 44
13286 300 H 33.278 5.85963 96.09 -0.00833682 0.000616125 0.00498564 44
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13289 1 C 35.6865 8.38663 79.7919 -0.00659583 0.00576874 -0.00191006 45
13290 2 C 35.84 8.25828 78.3986 0.0008603 -0.00112348 -0.00381864 45
13291 3 C 35.2587 7.16634 77.7431 -0.00273515 -0.0052015 0.00544346 45
13292 4 C 34.556 6.21119 78.5002 0.00195438 -0.000685682 0.00356591 45
13293 5 C 34.4306 6.31018 79.9287 -0.00427363 -0.00456356 0.000105975 45
13294 6 C 34.9489 7.48104 80.5766 -0.000348943 0.000725813 0.000844887 45
13295 7 C 29.9462 5.28624 79.5795 0.00816552 0.00892204 -0.000856834 45
13296 8 C 30.0445 5.25663 78.1827 -0.000937519 0.000852514 -0.00168031 45
13297 9 C 31.2954 5.00996 77.625 0.00365884 0.000129485 0.000428493 45
13298 10 C 32.4492 5.01533 78.4433 -0.00264122 -0.00202579 -0.00229358 45
13299 11 C 32.3362 5.07054 79.8545 0.00300605 0.00209502 -0.000689982 45
13300 12 C 31.0705 5.17725 80.4527 -0.00273234 -0.00102442 -0.00255717 45
13301 13 C 35.828 1.78739 79.9718 -0.00442397 0.00581664 0.00116158 45
13302 14 C 35.8384 1.7347 78.5638 -0.00363303 0.000650094 -0.000763677 45
13303 15 C 35.2013 2.75755 77.8679 -0.000816226 0.00375199 0.00061006 45
13304 16 C 34.5447 3.7654 78.5819 0.00156457 -0.00173244 0.00150009 45
13305 17 C 33.8773 4.93799 77.8915 -0.00254946 -0.00132361 -0.000180816 45
13306 18 O 35.0958 2.66719 82.1124 0.00309507 -0.00477713 -0.00396267 45
13307 19 O 30.9601 5.13242 81.8234 -0.00278162 0.00340364 0.0007402 45
13308 20 O 34.736 7.70831 81.9338 -0.00326141 -0.00464785 0.000226523 45
13309 21 C 35.1174 2.74931 80.7236 -0.00279763 -0.00214354 -0.000997147 45
13310 22 C 33.8785 4.86723 76.4154 0.00298423 -0.00336677 0.00104418 45
13311 23 C 33.6558 4.60518 75.2397 -0.00147088 0.000748497 0.00259858 45
13312 24 C 33.2213 4.13273 73.9893 -0.00299727 0.000475168 -0.000795192 45
13313 25 C 32.235 4.7836 73.2518 0.000117434 0.00253582 -0.000525035 45
13314 26 C 31.8335 4.2639 72.0203 -0.00201408 0.00499977 0.0026947 45
13315 27 C 32.389 3.07873 71.5093 -0.00357297 0.00107279 -0.00471002 45
13316 28 C 33.3267 2.36038 72.3071 0.0050837 0.00530741 0.00271753 45
13317 29 C 33.7201 2.88303 73.5483 0.00380478 -0.000887282 -0.00363649 45
13318 30 C 32.069 2.57735 70.222 -0.00179591 0.00386242 0.00193631 45
13319 31 C 31.9109 2.30724 69.083 -0.00318756 8.29475e-05 0.000601888 45
13320 32 C 29.9921 -1.19766 67.0616 -0.00289148 -0.000942971 0.00145455 45
13321 33 C 30.092 -1.2765 65.6671 -0.000961962 0.0020371 -0.000549755 45
13322 34 C 30.6951 -0.235193 64.9442 -0.000232343 -0.000816645 -0.000447926 45
13323 35 C 31.2032 0.86505 65.6302 -0.00168764 -0.00121561 -0.00203455 45
13324 36 C 31.1282 0.94753 67.0517 -0.00240932 0.00300308 -0.00217446 45
13325 37 C 30.4999 -0.105332 67.7692 0.00115156 -0.000408082 -0.00175911 45
13326 38 C 31.784 2.20779 67.6282 -0.00335706 -0.000273122 -0.000562979 45
13327 39 C 35.6424 2.23513 67.0636 -0.00211777 0.00255307 0.00111569 45
13328 40 C 35.6074 2.19213 65.6668 -0.000836846 -0.00133008 0.000790211 45
13329 41 C 34.3984 2.13418 64.9512 0.00462128 -0.00270417 -0.0028625 45
13330 42 C 33.2142 2.13016 65.6403 -8.36737e-05 -0.0012886 -0.000126743 45
13331 43 C 33.1836 2.24424 67.0289 0.00161535 0.00429851 -0.000108801 45
13332 44 C 34.4035 2.2713 67.7831 -0.0025233 7.0696e-05 -0.00147833 45
13333 45 C 29.4427 5.19342 66.8872 0.00877463 -0.000996277 -0.000816147 45
13334 46 C 29.398 5.06943 65.4955 -0.00601365 -0.00363604 -0.000865833 45
13335 47 C 30.261 4.15756 64.8526 -0.000796857 0.00315981 -0.00118771 45
13336 48 C 31.0531 3.29806 65.5961 0.000674312 0.00015152 0.00296306 45
13337 49 C 31.843 2.09569 64.9905 0.00522675 0.000272631 0.000466817 45
13338 50 C 30.9986 3.36237 66.99 0.00129256 0.00134297 -0.00498362 45
13339 51 C 30.2546 4.33219 67.6364 0.0072134 0.000381648 0.00066377 45
13340 52 O 34.342 2.11598 63.5701 -0.000375051 -0.00310502 -0.000961794 45
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13342 54 O 30.2745 4.0421 63.4721 -0.000169677 -0.00288735 0.0013722 45
13343 55 C 33.7269 5.07723 80.5422 0.00317825 -0.0025308 -0.00380909 45
13344 56 C 34.5105 3.83761 80.0275 0.00324901 0.000552102 -0.000963898 45
13345 57 C 35.0403 1.03532 62.8749 -0.000711739 0.00139685 -0.000135552 45
13346 58 C 35.217 1.48166 61.4331 -2.62159e-05 -0.00100632 0.00247109 45
13347 59 C 33.9602 1.26891 60.5561 0.000447123 -0.00227092 -0.00359109 45
13348 60 C 34.2715 1.73554 59.1397 -0.00155664 -0.00127637 0.00423986 45
13349 61 C 33.2771 1.23988 58.1071 0.00626216 -0.000981216 0.00428546 45
13350 62 C 33.3854 1.99144 56.7523 0.000856652 -0.00265451 -0.00130664 45
13351 63 C 32.593 1.23766 55.6253 -0.00245015 -0.000607039 -0.00015824 45
13352 64 C 32.4912 1.97543 54.2859 0.000910292 -5.78968e-05 -0.00100056 45
13353 65 C 31.5497 1.16513 53.3471 0.00131397 -0.000256726 -0.000702489 45
13354 66 C 31.4176 1.79062 51.9196 -0.00322224 -0.00580768 0.000997817 45
13355 67 C 32.5763 1.50107 50.9614 -0.00233261 0.000149996 -0.00242572 45
13356 68 C 32.2141 1.73074 49.5302 -0.000744728 -0.00219611 -0.000465796 45
13357 69 F 31.0245 5.00582 71.2331 -0.000618396 -0.00453547 -0.00075699 45
13358 70 C 30.9994 -1.68406 62.9734 -0.00106406 -0.00063892 0.000837895 45
13359 71 C 31.8882 -1.71362 61.7138 0.00624012 -0.000713471 -0.00211586 45
13360 72 C 31.164 -1.50014 60.3402 0.00351117 0.00199822 0.00307132 45
13361 73 C 31.8939 -2.19589 59.1691 0.00184623 -0.00397249 0.000873889 45
13362 74 C 31.254 -2.05803 57.7464 -0.00138202 0.00125737 -0.00250275 45
13363 75 C 31.9619 -2.90217 56.6844 -0.00490826 -0.00203168 -0.00336516 45
13364 76 C 31.6279 -2.44908 55.2283 0.00390975 -0.00335376 3.7043e-05 45
13365 77 C 32.4193 -3.36396 54.2087 -0.000606433 -0.00297918 -0.00632096 45
13366 78 C 32.3871 -2.81601 52.7586 -0.00315235 0.000967073 -0.00263185 45
13367 79 C 33.1808 -3.689 51.7616 0.00309801 0.00260673 -0.00418183 45
13368 80 C 32.947 -3.12999 50.2862 0.00599995 -0.00459746 0.00102245 45
13369 81 C 31.5372 -3.35878 49.766 -0.00246477 0.00120109 -3.62408e-05 45
13370 82 C 29.2872 3.30553 62.7276 0.00504819 -0.00294812 -0.00082928 45
13371 83 C 30.056 2.52741 61.6137 -0.000818447 0.00238838 0.00115382 45
13372 84 C 30.3244 3.24451 60.249 -0.000592269 0.000877143 7.50605e-05 45
13373 85 C 29.0429 3.45059 59.3687 0.003353 0.00064152 -0.000285434 45
13374 86 C 29.3039 4.21317 58.0288 -0.00405543 0.00504809 0.000621388 45
13375 87 C 29.8453 3.2543 56.9296 -0.00544291 0.00354646 0.00382656 45
13376 88 C 28.7764 2.98569 55.8367 0.000604774 0.00262089 -0.00746855 45
13377 89 C 28.4928 4.25855 55.008 -0.00274032 -0.00158876 -0.00141698 45
13378 90 C 27.6564 3.95708 53.7216 -0.00322763 -0.000582013 -0.00290745 45
13379 91 C 28.5612 3.5238 52.5281 -0.000257247 -0.00107401 -0.00177181 45
13380 92 C 27.8176 3.53672 51.1414 -0.000473791 0.00381268 -0.000974772 45
13381 93 C 28.7546 3.25299 49.9329 0.00226293 0.00242933 0.00188125 45
13382 94 C 29.6927 5.48422 82.4057 -0.00215497 5.89035e-05 0.000726469 45
13383 95 C 29.6806 5.04725 83.8625 -0.00256896 -0.00031842 -0.00336599 45
13384 96 C 28.3653 5.3937 84.5281 -0.000634181 0.00306891 0.00066124 45
13385 97 C 27.9801 4.72324 85.8913 2.88247e-05 -0.0038239 -0.000617671 45
13386 98 C 28.5197 5.44288 87.1332 0.0029675 0.00264997 0.00287243 45
13387 99 C 28.0205 4.88434 88.4236 -0.00031787 0.0031626 -0.00178371 45
13388 100 C 28.7428 5.57624 89.5874 0.000724559 0.00375062 0.00335722 45
13389 101 C 28.3975 4.91737 90.9471 -0.0020382 0.000393417 -0.00236961 45
13390 102 C 29.1742 5.5096 92.1179 3.58704e-05 0.000665792 -0.000491858 45
13391 103 C 28.7847 5.00047 93.4915 0.00292416 0.0018576 -0.00549435 45
13392 104 C 29.655 5.54289 94.6694 0.00431911 -0.00293738 0.000424219 45
13393 105 C 28.9341 5.25211 96.0074 0.00146185 -6.88447e-05 -0.000189302 45
13394 106 C 35.5455 8.66043 82.6298 -0.00277452 -0.00160247 -0.0025103 45
13395 107 C 35.1633 8.73589 84.1159 -0.000225379 -0.000859333 -0.00221638 45
13396 108 C 36.3315 9.1252 85.0496 0.00362652 -0.00132333 -0.000229324 45
13397 109 C 35.8189 9.53386 86.4474 -9.80397e-05 -0.00312858 -0.00431651 45
13398 110 C 36.8827 9.22068 87.5156 -0.00235666 0.0022928 4.8576e-05 45
13399 111 C 36.3714 9.76599 88.862 0.00310773 0.000634252 -0.00463128 45
13400 112 C 37.2262 9.44779 90.1255 0.000886697 0.0025528 0.000824951 45
13401 113 C 36.41 9.76362 91.4131 -0.00423676 0.00161865 -0.0025268 45
13402 114 C 37.0876 9.38226 92.7248 0.0032069 0.000175158 0.000879166 45
13403 115 C 36.2724 9.87359 93.9261 -0.00292995 -0.00102379 -0.00267541 45
13404 116 C 36.8513 9.50134 95.2754 0.000113804 -0.00260243 -0.0018373 45
13405 117 C 35.9332 9.94272 96.4059 -0.00293387 -0.000268762 -0.0019288 45
13406 118 C 35.5797 1.47507 82.8019 0.00200607 0.0020412 -0.00263349 45
13407 119 C 35.8972 1.74354 84.3085 0.00115103 -0.00362413 -0.00128995 45
13408 120 C 36.4965 0.521889 85.0241 0.00109578 -0.00108244 -0.00335152 45
13409 121 C 37.0368 0.84692 86.4483 -0.00528923 -0.000307097 0.0030364 45
13410 122 C 36.042 0.667899 87.5918 -0.00167834 -0.000919374 0.00239143 45
13411 123 C 36.7979 0.792016 88.9416 0.000817093 -0.00206829 -0.0045806 45
13412 124 C 35.8583 0.506823 90.1229 7.7237e-05 -6.60582e-05 -0.00264925 45
13413 125 C 36.6397 0.609024 91.4298 -2.85067e-05 0.000869882 -0.00240181 45
13414 126 C 35.9787 0.0341511 92.7048 0.00278226 -0.00274274 2.14581e-05 45
13415 127 C 36.7987 0.243396 93.9925 -0.00166156 -0.00247892 0.00457519 45
13416 128 C 36.1379 -0.298642 95.2969 -0.00140281 0.00334667 -0.00371692 45
13417 129 C 36.6878 0.393957 96.5309 0.00100999 -0.00187398 -0.00281467 45
13418 130 F 31.6632 5.90515 73.6113 -0.0032446 0.000193133 0.003753 45
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13420 132 H 36.4085 8.99246 77.8355 -0.00990558 0.0111436 0.00130217 45
13421 133 H 35.3733 7.0337 76.6713 0.00571915 0.000547939 0.00564373 45
13422 134 H 28.9623 5.41914 80.0197 0.0119809 -0.00152175 0.0108696 45
13423 135 H 29.198 5.35251 77.5092 0.00113282 -0.00609263 -0.00528678 45
13424 136 H 31.3433 4.96134 76.5411 0.00321911 0.000513222 0.000391549 45
13425 137 H 36.369 0.981855 80.4596 -0.00157576 0.00106934 -0.00983027 45
13426 138 H 36.3404 0.912231 78.0629 -0.00991775 -0.00147783 -0.00356509 45
13427 139 H 35.241 2.78633 76.783 0.000768317 -0.00580889 0.00042785 45
13428 140 H 33.7401 1.43366 71.9202 -0.00493936 0.00547091 -0.00844302 45
13429 141 H 34.5097 2.37472 74.0939 0.00579288 0.00686318 0.000705813 45
13430 142 H 29.5999 -2.03011 67.6383 -0.00552949 -0.00138247 -0.000982105 45
13431 143 H 29.7294 -2.14676 65.1281 -0.0128413 0.0056153 0.00168552 45
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13434 146 H 36.5411 2.20212 65.1123 -0.000421138 -0.00767855 0.0013772 45
13435 147 H 34.432 2.29607 68.8685 -0.00674441 -0.00205855 -0.00131892 45
13436 148 H 28.8554 5.9362 67.419 -0.000787877 -0.00932353 0.000242487 45
13437 149 H 28.7157 5.69372 64.9261 0.00530734 0.0140077 0.00492293 45
13438 150 H 31.8379 1.98702 63.8989 0.00364114 0.0121611 -0.000689515 45
13439 151 H 30.2655 4.40117 68.7201 0.00673135 -0.0169614 0.0017727 45
13440 152 H 33.682 5.14895 81.6359 0.00857257 -0.00569098 -0.00338171 45
13441 153 H 35.9995 0.809404 63.3568 0.00451013 -0.00759166 -0.0147596 45
13442 154 H 34.4786 0.0943096 62.9236 -0.00532956 0.0041154 -0.000987541 45
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13444 156 H 35.3464 2.56768 61.5182 0.00552519 0.000119332 -0.021186 45
13445 157 H 33.1311 1.83492 60.9983 0.00859587 0.00418281 0.00345945 45
13446 158 H 33.6683 0.211791 60.5824 0.00761001 -0.00429787 -0.00583093 45
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13448 160 H 34.3131 2.83131 59.1705 0.00514848 -0.00152671 0.00416278 45
13449 161 H 32.2823 1.3764 58.5489 0.00224112 0.00274003 -0.00595601 45
13450 162 H 33.3436 0.162103 57.9137 -0.00454768 -0.00254477 0.00924718 45
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13458 170 H 31.8726 0.116812 53.3331 0.00368044 0.000308713 0.0101778 45
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13464 176 H 31.8723 2.76827 49.4295 0.000817512 0.000468738 0.0215361 45
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13484 196 H 34.262 -3.63608 51.9394 0.0013121 0.00407307 0.00609788 45
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13492 204 H 28.5214 3.9785 62.3227 -0.00259133 -0.0105232 0.00098794 45
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13496 208 H 31.0211 2.58348 59.7189 -0.00505583 -0.00623462 0.00305996 45
13497 209 H 28.5835 2.487 59.116 -0.00566524 0.00914304 -0.0164125 45
13498 210 H 28.2885 4.07024 59.869 -0.00396475 -0.00129065 -0.00888029 45
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13538 250 H 29.5097 5.57178 96.8848 -0.0128724 0.00773311 0.00639147 45
13539 251 H 27.9955 5.81786 96.0554 0.00148256 -0.000355804 0.00365311 45
13540 252 H 28.7199 4.18856 96.1698 -0.00981644 0.00440631 0.0143452 45
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13544 256 H 34.7717 7.77144 84.4621 -0.00510934 0.00107691 -0.0023513 45
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13550 262 H 37.8497 9.68702 87.2901 0.000451594 -0.00285566 0.00139871 45
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13555 267 H 36.2651 10.851 91.4217 -0.0048501 0.00157962 -0.00783882 45
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13560 272 H 35.2483 9.48834 93.8482 -0.00305975 -0.00248404 0.00626177 45
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13564 276 H 35.6216 10.9842 96.2589 0.0129558 0.00442578 -0.00215236 45
13565 277 H 35.0162 9.35451 96.2778 -0.00540848 -9.13667e-05 0.015293 45
13566 278 H 34.817 0.689246 82.7362 -0.00581539 0.0101234 -0.00851706 45
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13575 287 H 35.2228 1.39515 87.5325 0.00398651 0.00564704 0.00479026 45
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13577 289 H 37.6223 0.0687516 88.9668 0.00817223 0.00621642 -0.00754097 45
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13592 2 C 39.6027 14.9674 78.1563 2.80454e-05 0.00149225 -0.00423159 46
13593 3 C 39.0363 13.8285 77.584 -0.000799109 -0.0029138 -0.000146902 46
13594 4 C 38.5667 12.8378 78.4199 0.000844461 0.0020527 -0.000529097 46
13595 5 C 38.5093 12.9938 79.8163 0.00133541 0.00119571 -0.00204445 46
13596 6 C 39.0901 14.145 80.4022 -0.00198952 -0.0020924 0.001657 46
13597 7 C 34.0182 11.5855 79.7102 -0.00300792 0.000757022 0.000999485 46
13598 8 C 34.0982 11.4589 78.3045 0.00139554 0.000843808 -0.00208547 46
13599 9 C 35.3084 11.5364 77.6426 0.000467633 -0.000238971 -0.00195526 46
13600 10 C 36.4654 11.6421 78.4349 -0.00522776 -0.00230871 0.00185546 46
13601 11 C 36.3988 11.8052 79.8491 -0.000522481 -0.00459543 0.00345779 46
13602 12 C 35.1679 11.7635 80.4902 0.00182517 0.00186335 0.0027816 46
13603 13 C 39.6333 8.37454 80.2681 -0.000734355 0.00207852 -0.000240362 46
13604 14 C 39.7633 8.29936 78.898 0.0024147 0.000289389 0.000759402 46
13605 15 C 39.2539 9.31253 78.0824 -4.17124e-05 0.00310252 -0.00244555 46
13606 16 C 38.5714 10.4246 78.6917 0.00141425 0.00319429 -0.000880166 46
13607 17 C 37.931 11.5521 77.9135 0.000897328 -0.00172268 8.95996e-05 46
13608 18 O 38.9566 9.54335 82.2706 -0.000355048 0.00452715 -0.00102067 46
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13610 20 O 39.1087 14.3218 81.8101 0.00378222 0.00464812 0.0015275 46
13611 21 C 38.9932 9.4679 80.8864 0.0015947 -0.0016291 0.00115672 46
13612 22 C 37.9905 11.3051 76.4426 0.00113837 7.15274e-05 0.000112287 46
13613 23 C 37.8425 11.0151 75.2572 0.000877122 -0.000312419 0.00435323 46
13614 24 C 37.5524 10.5956 73.9274 -0.000734481 0.00263988 0.0023586 46
13615 25 C 37.9378 9.35518 73.4173 0.000900118 0.000113709 -0.00261518 46
13616 26 C 37.5247 8.90133 72.2061 -0.00100687 0.000156532 -0.00157218 46
13617 27 C 36.6374 9.64032 71.4218 0.00384803 0.00114035 0.00112242 46
13618 28 C 36.2438 10.8899 71.8899 -0.00124456 -0.00364892 1.87894e-05 46
13619 29 C 36.6575 11.3573 73.149 -0.00130826 -0.00111189 0.000462159 46
13620 30 C 36.1761 9.27173 70.119 -0.00265135 -9.37366e-06 -0.00538257 46
13621 31 C 35.8869 9.04903 68.9736 0.00055639 -0.00075558 -0.0017845 46
13622 32 C 33.5845 5.72715 67.0264 -0.000691891 -0.00417095 0.000658224 46
13623 33 C 33.6832 5.6308 65.6412 0.000411297 -0.000603184 0.00418179 46
13624 34 C 34.3464 6.5902 64.8826 -0.000678944 0.00221583 0.00169248 46
13625 35 C 34.9646 7.64097 65.5516 0.00297933 -0.00206081 0.00230731 46
13626 36 C 34.966 7.72024 66.9685 -0.00190375 -0.00175777 -0.00199582 46
13627 37 C 34.2703 6.74681 67.7048 0.000213624 -0.000380331 0.000722029 46
13628 38 C 35.7463 8.90814 67.533 0.00646133 0.000974766 -0.00152478 46
13629 39 C 39.5567 8.91948 66.7229 0.000333739 0.00141207 -0.000601286 46
13630 40 C 39.4711 8.92624 65.3171 0.00088062 -0.00303738 0.00143372 46
13631 41 C 38.2547 8.82628 64.6797 0.000552323 -9.77815e-05 -0.00160549 46
13632 42 C 37.0849 8.78656 65.4408 -0.000794291 0.0026843 -0.00100147 46
13633 43 C 37.1304 8.8899 66.8602 0.00225615 0.00436865 -0.000672475 46
13634 44 C 38.3766 8.93156 67.4798 -0.000797543 0.0017159 -0.00269844 46
13635 45 C 33.8904 12.2134 66.7621 0.000665981 0.000746731 -0.00406436 46
13636 46 C 34.0571 12.2854 65.3701 -0.00146293 0.00042866 -0.00194024 46
13637 47 C 34.6478 11.2226 64.7067 -0.00210619 -0.00365112 -0.00380213 46
13638 48 C 35.04 10.0992 65.4353 0.00325165 0.00152572 0.00291585 46
13639 49 C 35.6673 8.81612 64.881 -0.00150978 -0.0037863 0.00127198 46
13640 50 C 35.0663 10.1264 66.8657 -0.00226205 -0.00454965 -0.00173783 46
13641 51 C 34.4086 11.197 67.5029 0.00179347 -0.000236151 -0.00496681 46
13642 52 O 38.2014 8.94423 63.2932 0.000262662 0.000451385 0.00216374 46
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13644 54 O 34.7596 11.2405 63.3352 -0.00160609 0.00374369 0.00050663 46
13645 55 C 37.7564 11.8426 80.5253 0.00228213 0.000251184 0.00157589 46
13646 56 C 38.4747 10.5202 80.0797 -0.00185335 0.000956819 0.000259945 46
13647 57 C 37.6034 7.93676 62.4837 0.00188084 9.64814e-06 0.00214198 46
13648 58 C 36.893 8.70759 61.3602 0.00262395 0.00353881 -0.00191321 46
13649 59 C 36.6008 7.79784 60.2031 -0.00422263 -0.00257567 0.0008783 46
13650 60 C 35.6872 8.44575 59.1666 0.00100765 0.000989045 0.000692405 46
13651 61 C 36.4126 9.3168 58.1169 -0.000932016 0.0031731 -0.00037007 46
13652 62 C 37.2182 8.50825 57.0898 -0.00151459 0.00138968 0.00322966 46
13653 63 C 37.1662 9.09116 55.6461 0.00182825 0.00150039 0.0003192 46
13654 64 C 35.741 9.0446 55.013 0.00154961 0.000245364 -0.00394975 46
13655 65 C 35.7424 8.3425 53.6446 -0.00155874 -0.00574002 0.00128166 46
13656 66 C 36.189 9.22237 52.4621 -0.000430401 -0.00199704 -0.00303765 46
13657 67 C 36.193 8.35547 51.208 0.00253215 0.0041099 0.0028955 46
13658 68 C 36.6312 9.10737 49.9338 -0.00280404 -0.00136992 0.000823899 46
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13660 70 C 33.0915 6.6275 62.8097 0.00181489 -0.00265662 0.0014521 46
13661 71 C 32.8753 5.25333 62.1391 0.0016188 -0.000924233 0.0028859 46
13662 72 C 33.5138 5.08486 60.7648 0.00143993 -0.00036602 -0.00200162 46
13663 73 C 32.9053 6.04752 59.7164 -0.00141812 0.000304352 -0.000527729 46
13664 74 C 33.1647 5.67698 58.2329 0.00184372 0.00194401 -0.00256072 46
13665 75 C 32.9173 6.91264 57.3148 0.0032136 -0.000237562 0.00411507 46
13666 76 C 32.0952 6.61035 56.0065 -0.000393033 0.000397647 -7.00985e-05 46
13667 77 C 32.8475 5.88075 54.8452 0.000782435 0.00191802 -0.000967638 46
13668 78 C 32.0294 6.01626 53.5082 -0.00101091 0.00430312 0.0036689 46
13669 79 C 32.8521 5.66988 52.2565 -0.000453807 0.00334886 -0.000528718 46
13670 80 C 32.0356 5.91088 50.9705 -0.00215528 -0.00293892 0.00367279 46
13671 81 C 32.8986 6.07782 49.7 -0.00112933 -0.00104224 0.00154715 46
13672 82 C 35.8899 11.8674 62.6956 -0.000560408 0.00137698 0.00355367 46
13673 83 C 35.5486 11.9528 61.1813 -0.00189042 -0.000537498 0.00158493 46
13674 84 C 36.6588 12.5517 60.2348 -0.0021557 3.4566e-05 0.00089931 46
13675 85 C 36.0922 13.0731 58.9069 -0.00128879 0.000243115 -0.00541109 46
13676 86 C 37.0233 12.9419 57.6722 0.000519 0.00223237 0.00170819 46
13677 87 C 36.1839 12.9409 56.3678 0.000559842 0.00195563 -0.00613514 46
13678 88 C 37.0392 13.0222 55.0596 0.00325517 0.00181184 -0.00244211 46
13679 89 C 36.1251 12.938 53.8266 -0.00101395 0.000431229 -0.00119023 46
13680 90 C 36.835 13.0303 52.418 -0.00382978 -0.00174095 0.000176715 46
13681 91 C 35.802 12.993 51.2833 -0.000693735 0.000828419 -0.000934069 46
13682 92 C 36.4422 13.0739 49.8889 0.00436552 0.00289244 -0.00258982 46
13683 93 C 35.4344 12.9286 48.7378 -0.001345 0.000845994 0.00190364 46
13684 94 C 33.7678 11.7922 82.5221 -0.00437607 0.00262605 -0.000453194 46
13685 95 C 33.8819 12.1097 84.0347 0.00266129 0.00165938 -0.000595134 46
13686 96 C 32.5719 11.6896 84.7144 -0.00099862 0.00333211 0.000994346 46
13687 97 C 32.5716 11.4482 86.2326 -0.000620934 0.000782752 0.00070822 46
13688 98 C 32.6616 12.7366 87.0555 -0.000824265 0.00146833 3.28745e-05 46
13689 99 C 32.4607 12.5868 88.5912 -0.0027997 0.00281249 0.000207449 46
13690 100 C 33.548 11.7888 89.297 0.00123473 -0.000857142 0.00195735 46
13691 101 C 33.1717 11.3055 90.7149 0.00105316 -0.00278949 -0.00821913 46
13692 102 C 33.6632 12.2145 91.8418 0.00256551 0.00384183 -0.00397038 46
13693 103 C 33.2015 11.6915 93.1729 0.00276766 -0.00266155 -0.00295119 46
13694 104 C 33.7143 12.6192 94.342 -0.00549145 0.000733316 0.000928756 46
13695 105 C 33.0881 12.1852 95.7118 0.00119778 -0.000492273 0.0030594 46
13696 106 C 39.4991 15.6039 82.3591 -0.00134434 0.00120389 0.00147279 46
13697 107 C 39.7241 15.669 83.892 -0.00240349 0.000544642 -0.00155753 46
13698 108 C 40.1311 17.0924 84.3203 -0.00243763 0.00152006 0.00123719 46
13699 109 C 40.8611 17.2002 85.6913 -0.00255848 -0.00546035 0.00461494 46
13700 110 C 40.2489 16.5603 86.9094 -5.35534e-05 -0.000140256 -0.00123898 46
13701 111 C 40.9639 17.023 88.2198 0.00127365 -4.64229e-05 0.00427867 46
13702 112 C 40.2673 16.524 89.4701 0.00402881 -0.00163413 -0.00190807 46
13703 113 C 40.9619 17.043 90.7497 0.000494002 -0.00162804 -0.0023035 46
13704 114 C 40.3716 16.5528 92.0701 -0.00266489 -0.0014722 0.0014202 46
13705 115 C 41.1014 17.1612 93.2652 0.00109201 -0.00150334 0.00057867 46
13706 116 C 40.5865 16.6502 94.6277 0.00447787 -0.000493182 0.00647058 46
13707 117 C 41.2597 17.3807 95.7983 -0.00292807 0.00327892 -0.000677379 46
13708 118 C 39.0245 8.40944 83.2408 0.00189981 -0.00212756 0.00212277 46
13709 119 C 40.4117 7.83937 83.5389 0.000710856 0.000556674 0.000766943 46
13710 120 C 40.5518 7.00912 84.8501 0.00287367 0.000340221 -0.00108167 46
13711 121 C 40.2923 7.82065 86.1306 -0.000996109 -0.00373215 -0.00181415 46
13712 122 C 40.3036 6.98128 87.443 -0.0043461 0.00186044 0.00313147 46
13713 123 C 40.2148 7.79895 88.7245 -0.00281094 0.00254135 -0.00129032 46
13714 124 C 40.2257 6.94784 90.0148 0.00396827 -0.00325057 -0.000610719 46
13715 125 C 40.3764 7.78056 91.2938 0.0014136 -0.00111837 -0.00375433 46
13716 126 C 40.2331 6.84424 92.5246 -0.002012 -0.00268389 0.00647691 46
13717 127 C 40.3371 7.58268 93.9029 0.00111238 -0.00134169 0.000695075 46
13718 128 C 40.16 6.63909 95.1153 0.0022638 -0.00365867 0.00205269 46
13719 129 C 40.3024 7.44662 96.3838 -0.00129963 0.00375398 0.00118164 46
13720 130 F 38.7694 8.54647 74.0828 0.000953291 0.000951796 -0.00133196 46
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13723 133 H 39.0833 13.6984 76.5069 -0.00173 -0.00176162 -0.000324846 46
13724 134 H 33.007 11.5844 80.1063 -0.00169171 -0.00493667 0.00432249 46
13725 135 H 33.2216 11.36 77.671 0.00271644 -0.00357773 -0.00322617 46
13726 136 H 35.3206 11.4265 76.5622 -0.0161593 -0.0100135 -0.00116504 46
13727 137 H 40.0824 7.56558 80.8367 0.000754389 -0.00312434 -0.00880858 46
13728 138 H 40.2021 7.43421 78.4099 0.00158372 -0.000956698 0.00222066 46
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13731 141 H 36.3084 12.3357 73.4657 -0.0107616 -0.00884067 0.013844 46
13732 142 H 33.0562 4.97423 67.6037 0.00968752 3.07152e-05 0.0156557 46
13733 143 H 33.1685 4.82593 65.1248 0.00509178 -0.0036862 0.00432788 46
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13736 146 H 40.3476 9.02735 64.684 -0.0019134 0.0237093 0.00182227 46
13737 147 H 38.4483 9.02946 68.559 -0.00262216 -0.00563437 -0.00191591 46
13738 148 H 33.4506 13.0335 67.3219 0.00800805 0.00488555 -0.00435107 46
13739 149 H 33.6627 13.1558 64.854 0.00203195 -0.00452558 -0.0129339 46
13740 150 H 35.5643 8.76229 63.7902 0.00678389 0.000946489 0.000260926 46
13741 151 H 34.3703 11.2667 68.586 -0.0103495 0.00666395 -0.00585034 46
13742 152 H 37.6652 11.971 81.611 0.010485 0.00433393 0.00177764 46
13743 153 H 38.412 7.3531 62.0266 -0.00261814 -0.00795262 0.00437587 46
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13745 155 H 37.4173 9.60641 61.0129 0.000214403 0.00998902 0.0111344 46
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13747 157 H 36.1057 6.87774 60.5374 0.0153048 -0.0156036 -0.00599727 46
13748 158 H 37.5593 7.52633 59.7438 0.00234168 0.0138422 0.00483858 46
13749 159 H 34.9359 9.05421 59.685 -0.002336 -0.0048571 0.00269719 46
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13752 162 H 35.6017 9.8533 57.6088 -0.00911563 0.00119542 0.0105725 46
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13754 164 H 38.272 8.49085 57.3942 -0.00676701 0.00160357 0.0213508 46
13755 165 H 37.8684 8.50615 55.0394 0.00680638 0.00689231 0.00089471 46
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13757 167 H 35.2903 10.0378 54.8953 0.00104023 0.00191862 0.0123749 46
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13760 170 H 36.373 7.44814 53.7204 0.00246809 -0.00150148 0.0178677 46
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13763 173 H 35.1857 7.95096 51.0497 0.00306487 0.0024679 0.00370427 46
13764 174 H 36.8636 7.50686 51.3915 -0.00126798 -0.00168495 -0.0100754 46
13765 175 H 35.8731 9.86064 49.6863 -0.00611264 -0.00808799 -0.00945935 46
13766 176 H 36.7159 8.363 49.1325 0.018379 0.0073298 -0.00501983 46
13767 177 H 37.6151 9.58543 50.0166 -0.000841428 -0.00643788 0.00675692 46
13768 178 H 32.2814 6.77276 63.535 0.00578387 -0.000129682 0.00537924 46
13769 179 H 33.1016 7.46539 62.1017 0.00641717 0.0021019 0.0071408 46
13770 180 H 33.232 4.49534 62.8474 -0.000942453 0.00235121 0.00769773 46
13771 181 H 31.7933 5.11032 62.028 0.00111665 0.00909484 -0.00508612 46
13772 182 H 34.595 5.24918 60.8512 0.00101086 0.000344998 0.0020026 46
13773 183 H 33.3527 4.06636 60.3905 -0.00474723 -0.000951165 0.00229817 46
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13775 185 H 33.3612 7.02844 59.899 0.00480625 0.000232464 -0.0156053 46
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13777 187 H 32.5411 4.80584 57.9968 0.00794778 -0.00343278 0.00112621 46
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13779 189 H 33.8314 7.48173 57.1051 -0.00088245 0.0075962 0.0074684 46
13780 190 H 31.1643 6.07185 56.2231 -0.00822387 0.00824332 -0.0141357 46
13781 191 H 31.7869 7.59254 55.6275 -0.0156972 -0.00352181 0.00223996 46
13782 192 H 33.7927 6.41652 54.6937 0.0039599 -0.00294575 0.00172458 46
13783 193 H 33.0847 4.83997 55.098 -0.0145198 -0.0028856 -0.00640301 46
13784 194 H 31.1734 5.3303 53.5027 -0.00497779 0.00935186 -0.0113181 46
13785 195 H 31.6253 7.02845 53.3835 0.00176022 0.00361766 -0.0109584 46
13786 196 H 33.7534 6.29529 52.2548 0.00910061 -0.0104833 -0.0227831 46
13787 197 H 33.2263 4.63868 52.2521 0.00670005 0.00596869 -0.0117805 46
13788 198 H 31.3145 5.09174 50.8589 -0.0082791 0.00308362 -0.000979212 46
13789 199 H 31.4351 6.82831 51.0042 -0.0100746 -0.00787229 -0.00264049 46
13790 200 H 33.5107 5.17688 49.5696 -0.0163583 -0.0101805 -0.00697063 46
13791 201 H 32.2402 6.15934 48.8263 0.00754708 -0.00234881 -0.00511142 46
13792 202 H 33.5208 6.97705 49.7876 0.00297346 -0.00390702 0.00177875 46
13793 203 H 36.7647 11.2155 62.8105 0.00830427 0.0122221 -0.0023729 46
13794 204 H 36.0723 12.8561 63.1346 0.0142539 0.00324506 -0.00683432 46
13795 205 H 35.2865 10.9356 60.865 -0.0106237 0.00102661 0.00377639 46
13796 206 H 34.6201 12.5178 61.0324 -0.00585188 -0.00362634 0.0145571 46
13797 207 H 37.1607 13.3484 60.7977 0.00927053 -0.00822813 0.00239766 46
13798 208 H 37.3819 11.7595 60.0047 0.00496723 0.00673929 0.000229387 46
13799 209 H 35.1972 12.5044 58.6259 0.00938343 -0.018039 -0.00237434 46
13800 210 H 35.7746 14.1136 59.0484 -0.00286724 -0.0012413 0.00200051 46
13801 211 H 37.677 13.8226 57.6538 0.00209461 0.00103625 0.000592209 46
13802 212 H 37.6212 12.0277 57.7724 -0.0193509 -0.0116972 -0.00671366 46
13803 213 H 35.5259 12.0683 56.2726 0.00300977 -0.000265862 -0.00259459 46
13804 214 H 35.5296 13.821 56.3918 -0.00454928 -0.00227063 0.00925117 46
13805 215 H 37.5289 14.0039 55.0561 -0.00353887 0.00525252 0.0073314 46
13806 216 H 37.8016 12.2334 55.0625 -0.0098131 -0.0108201 -0.0020593 46
13807 217 H 35.6287 11.9597 53.8229 -0.000661492 0.000264259 -0.00693285 46
13808 218 H 35.38 13.7424 53.8603 -0.00191841 -0.00130224 0.019305 46
13809 219 H 37.4653 13.928 52.4015 -0.00350831 -0.00189137 0.0039388 46
13810 220 H 37.5328 12.2062 52.2248 -0.00566579 -0.00367217 0.00181038 46
13811 221 H 35.1631 12.1039 51.3529 -0.0129619 0.00873035 -0.0124305 46
13812 222 H 35.1426 13.8619 51.4001 -0.00238951 -0.000137303 -0.00333489 46
13813 223 H 36.947 14.0393 49.7596 0.000988216 0.00717346 0.0163362 46
13814 224 H 37.2452 12.3336 49.7867 0.00213159 0.000590732 -0.00342839 46
13815 225 H 35.9279 12.9751 47.7591 0.00778907 -0.0130113 0.00583856 46
13816 226 H 34.9752 11.9323 48.7465 -0.00404403 0.00214906 0.0076177 46
13817 227 H 34.6419 13.6866 48.7669 0.00700606 0.00935596 0.00728581 46
13818 228 H 32.9437 12.3623 82.0756 -0.0117674 -0.00522397 0.00313848 46
13819 229 H 33.5255 10.7378 82.3404 0.0150221 -0.00198833 0.00032277 46
13820 230 H 34.6831 11.4886 84.4538 0.00321635 0.00371357 0.00137454 46
13821 231 H 34.0772 13.1736 84.2171 0.00623219 0.00204799 -0.00668861 46
13822 232 H 31.763 12.3731 84.428 -0.00285127 -0.00365407 -0.0104547 46
13823 233 H 32.342 10.7276 84.24 -0.00038274 -0.000891137 0.00927826 46
13824 234 H 31.648 10.921 86.5017 -0.00225985 0.00630662 0.00590057 46
13825 235 H 33.3798 10.7638 86.5186 0.00709596 0.0130209 0.00820813 46
13826 236 H 33.6285 13.2204 86.87 0.00565508 -0.00999666 0.00392008 46
13827 237 H 31.8951 13.4322 86.6923 -0.00680915 -0.00712819 -0.00377065 46
13828 238 H 32.4442 13.6089 88.9892 0.00333813 0.0107434 -0.019839 46
13829 239 H 31.482 12.1493 88.8237 -0.00411485 -0.00167937 -0.0138509 46
13830 240 H 33.793 10.9444 88.6409 -0.0042245 -0.000934719 1.66225e-05 46
13831 241 H 34.4484 12.4154 89.2904 -0.00103047 0.00247324 0.0104849 46
13832 242 H 32.0862 11.2009 90.8341 0.00142036 0.000110412 -0.00228142 46
13833 243 H 33.5676 10.2897 90.8369 -0.00350409 -0.00275243 0.00680135 46
13834 244 H 34.7542 12.3255 91.8126 0.00448492 -0.0108454 0.0121463 46
13835 245 H 33.2139 13.2117 91.7569 0.000548625 0.00315548 -0.00142621 46
13836 246 H 32.1048 11.711 93.192 0.00280549 -0.00310294 -0.000203089 46
13837 247 H 33.4753 10.6377 93.3073 0.00577121 -0.000156014 0.0105339 46
13838 248 H 34.7999 12.4765 94.4081 -0.00611087 -0.00432854 0.000369309 46
13839 249 H 33.4766 13.6689 94.1296 0.00488326 0.000869405 -0.00990622 46
13840 250 H 32.0265 12.46 95.683 -0.00279783 -0.0159081 0.00312448 46
13841 251 H 33.1128 11.0905 95.7782 0.00777446 -0.000593618 -0.00102716 46
13842 252 H 33.557 12.6208 96.6028 0.0152672 0.00502009 -0.00704956 46
13843 253 H 40.4265 15.9399 81.8792 -0.00302917 -0.00872803 -0.00874988 46
13844 254 H 38.7262 16.3352 82.092 -0.00329419 -0.00060464 0.0021678 46
13845 255 H 38.7761 15.4147 84.3819 -0.00232766 -0.0119406 -0.00788562 46
13846 256 H 40.5145 14.9839 84.223 0.00716508 0.0117037 -0.00126113 46
13847 257 H 40.7768 17.58 83.5795 -0.0109571 0.0125132 0.00104768 46
13848 258 H 39.1954 17.6587 84.4052 0.00490981 0.0161207 -0.0155964 46
13849 259 H 41.8753 16.806 85.5519 -7.85278e-05 0.000198527 0.00677216 46
13850 260 H 40.8996 18.2743 85.9107 0.00341319 -0.00348862 -0.00613336 46
13851 261 H 39.1769 16.7659 87.0188 0.000712459 -0.00145484 0.00890994 46
13852 262 H 40.3507 15.4833 86.727 -0.00223018 -0.00109641 0.00324415 46
13853 263 H 42.0023 16.6701 88.2452 -0.00186074 -0.00889694 0.00979385 46
13854 264 H 40.9803 18.1194 88.2516 -0.0153165 5.95333e-05 0.00925087 46
13855 265 H 39.235 16.8916 89.4181 0.013146 0.0238365 -0.00348409 46
13856 266 H 40.2692 15.4272 89.4501 -0.00658003 -0.00181782 0.0074998 46
13857 267 H 42.0201 16.7569 90.7087 -0.000269676 -0.00435577 -0.00298262 46
13858 268 H 40.8982 18.1381 90.7386 0.0133999 -0.000872352 -0.000689912 46
13859 269 H 39.294 16.7295 92.1744 -0.00644459 -0.014227 -0.0161895 46
13860 270 H 40.556 15.4717 92.0939 -0.00562531 -0.00181338 0.00853461 46
13861 271 H 42.1898 17.0276 93.2375 0.00180346 0.00370474 0.00296722 46
13862 272 H 40.9475 18.245 93.1935 -0.000539195 -0.00245944 -0.0105603 46
13863 273 H 39.5026 16.8147 94.6677 0.00244988 -0.0110321 -0.00484694 46
13864 274 H 40.7464 15.5693 94.7251 0.00900312 -0.000364039 0.000443147 46
13865 275 H 40.977 16.8914 96.7385 0.00509116 0.0035012 0.0018562 46
13866 276 H 42.3555 17.4107 95.7564 -0.00297326 0.00762372 0.00103253 46
13867 277 H 40.9594 18.4352 95.8366 -0.000798039 0.00391933 -0.0015446 46
13868 278 H 38.6418 8.74903 84.2112 0.00962465 0.00213012 0.00367251 46
13869 279 H 38.417 7.58112 82.8558 0.00745704 -0.0142053 0.0193478 46
13870 280 H 41.1432 8.65512 83.4854 -0.017868 0.0173038 0.00243655 46
13871 281 H 40.5927 7.09918 82.7498 0.00372538 0.00782278 -0.00533977 46
13872 282 H 41.5393 6.53742 84.9263 0.00135618 -0.000580909 0.0130422 46
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13874 284 H 39.3499 8.37149 86.0212 0.00063366 -0.00368355 -0.0158645 46
13875 285 H 41.0856 8.56978 86.2438 -0.00254915 -0.00198881 -0.0024783 46
13876 286 H 41.1924 6.3416 87.508 -0.00495651 0.000418273 -0.00274951 46
13877 287 H 39.4482 6.29796 87.3739 0.00166878 -0.00509249 -0.00269679 46
13878 288 H 39.3949 8.52753 88.7435 0.00600343 0.0126681 -0.0075702 46
13879 289 H 41.079 8.46902 88.8122 -0.00118968 0.00134852 -0.00836224 46
13880 290 H 40.9999 6.17071 90.0154 0.00716585 -5.28161e-05 -0.00688508 46
13881 291 H 39.2653 6.41894 90.0507 0.00119726 0.00165741 -0.0023563 46
13882 292 H 39.6188 8.57186 91.3515 -0.00557617 -0.00810554 8.04606e-05 46
13883 293 H 41.3255 8.32483 91.2136 -0.00038593 0.00486586 0.0160531 46
13884 294 H 41.0818 6.15283 92.4524 0.00821511 0.0101587 0.00325893 46
13885 295 H 39.298 6.27372 92.4652 0.000990548 -0.00677881 -0.00143725 46
13886 296 H 39.6282 8.41722 93.9686 0.0149213 0.00977711 0.00852768 46
13887 297 H 41.3547 7.9817 93.9962 0.00314073 -0.00336677 -0.0129049 46
13888 298 H 40.9659 5.89528 95.087 -0.000586645 -0.00702093 0.00979841 46
13889 299 H 39.1421 6.23098 95.0905 -0.000703704 0.00366565 0.00242258 46
13890 300 H 39.5425 8.23755 96.364 -0.000424528 0.00452781 -0.00168503 46
13891 301 H 41.3144 7.86683 96.4355 0.00110116 0.000227237 -0.0169255 46
13892 302 H 40.1949 6.79476 97.2596 -0.00398182 0.00343891 0.000613525 46
13893 1 C 43.7635 8.2614 79.8459 -0.000785818 -0.00239348 0.00354277 47
13894 2 C 43.857 8.09176 78.4769 0.00297989 0.00101937 -0.00264958 47
13895 3 C 43.2018 7.04801 77.8518 -0.00252331 0.0033808 0.00129534 47
13896 4 C 42.4663 6.10863 78.6086 0.00310951 0.00493787 -0.00296179 47
13897 5 C 42.4266 6.15041 80.0102 -0.00250201 -0.00174295 0.00179824 47
13898 6 C 43.0585 7.30384 80.6383 -0.00475261 -0.00310655 -0.000495247 47
13899 7 C 37.8198 5.16669 79.7472 -0.0023815 -0.0022441 -0.000828535 47
13900 8 C 37.9083 5.01145 78.3637 0.00152489 0.00263873 -0.00851016 47
13901 9 C 39.1517 4.93244 77.7556 -0.00264947 -0.000134481 0.00257514 47
13902 10 C 40.3097 4.93816 78.5325 -0.00305138 0.000316463 0.000302603 47
13903 11 C 40.2664 4.98897 79.9567 0.00060502 -0.00200279 -0.000809033 47
13904 12 C 38.9716 5.07377 80.5897 0.00272872 -0.00219633 -0.00375562 47
13905 13 C 43.5783 1.55533 79.9515 0.00387749 0.00107801 0.000464652 47
13906 14 C 43.551 1.5847 78.56 -0.00314561 -0.00642211 -0.00101222 47
13907 15 C 42.9418 2.61826 77.8775 -0.000743354 0.00186451 -0.00433728 47
13908 16 C 42.3691 3.66887 78.6297 -0.0031924 -0.000391218 -0.00321549 47
13909 17 C 41.7665 4.90362 77.9455 -0.00406615 0.000386067 -0.00194972 47
13910 18 O 42.8762 2.39117 82.0793 -0.00119545 0.000892581 -0.00563267 47
13911 19 O 38.8024 5.09919 81.9413 0.00285044 -0.000356056 0.00294555 47
13912 20 O 42.9785 7.45101 82.0682 0.00165465 8.84906e-05 -0.00255364 47
13913 21 C 42.8924 2.52888 80.7265 0.000962464 0.00216897 0.000632202 47
13914 22 C 41.7921 4.87314 76.4407 -0.00172975 -0.0001075 0.0052247 47
13915 23 C 41.6649 4.72707 75.2603 -0.00366834 -0.00110761 0.00729172 47
13916 24 C 41.4116 4.34549 73.8951 0.00113824 -0.00489211 0.00180596 47
13917 25 C 42.1721 3.306 73.2836 -0.00119326 -0.00337901 0.000119417 47
13918 26 C 41.7407 2.81135 72.0304 0.00318019 -0.00117126 -0.000486196 47
13919 27 C 40.5847 3.36892 71.4401 0.00149578 0.00212613 0.00168373 47
13920 28 C 39.8824 4.44826 72.0326 0.00227037 0.000742876 0.000834726 47
13921 29 C 40.2646 4.92374 73.303 -0.00109336 -0.00319157 0.00184398 47
13922 30 C 40.0544 2.89721 70.1638 0.000914111 0.00339691 -0.000382904 47
13923 31 C 39.8155 2.5054 69.0617 0.00459895 -0.00338023 -0.00196674 47
13924 32 C 37.9244 -1.17331 67.4219 -0.00286492 -0.000895973 0.000436508 47
13925 33 C 37.9027 -1.2971 66.007 -0.000531075 9.08249e-05 -0.000171691 47
13926 34 C 38.2936 -0.239736 65.1867 -0.00215644 -0.000408582 0.00765982 47
13927 35 C 38.803 0.915312 65.7667 0.00239511 0.000557374 0.00115351 47
13928 36 C 38.8949 1.01513 67.1535 -0.0017881 -0.00483011 -0.0024484 47
13929 37 C 38.3873 0.0153187 68.0215 -0.00425218 -0.000323404 -0.00128187 47
13930 38 C 39.6384 2.27257 67.6323 0.00335488 -0.0020646 0.000767953 47
13931 39 C 43.3572 2.09739 66.5505 0.00121421 0.000490567 0.00620539 47
13932 40 C 43.1845 2.20091 65.1587 0.00166682 -0.000427939 0.00160466 47
13933 41 C 41.9149 2.2398 64.5926 0.00153733 -0.000428417 0.000147383 47
13934 42 C 40.8331 2.18685 65.4472 0.00153504 0.00404984 0.000847377 47
13935 43 C 40.9825 2.24938 66.8363 0.000189251 0.0030196 0.00450907 47
13936 44 C 42.274 2.19758 67.4033 -0.00132016 0.00209207 -0.00235167 47
13937 45 C 37.6187 5.47598 66.8495 -0.000413427 0.000556746 0.000549861 47
13938 46 C 37.5517 5.42882 65.4609 -0.00276646 -0.000541511 0.000806647 47
13939 47 C 38.1522 4.36817 64.7965 -0.000865651 0.00159595 0.0013078 47
13940 48 C 38.772 3.37074 65.5599 -0.00190686 -0.00418268 -0.00145108 47
13941 49 C 39.3909 2.11975 65.0014 -0.00361258 0.0014027 0.00373866 47
13942 50 C 38.8362 3.41861 66.9829 0.000309374 -0.000441281 -0.000556002 47
13943 51 C 38.2172 4.49845 67.643 -0.00149416 0.00234719 -0.0022056 47
13944 52 O 41.7408 2.58907 63.2475 0.00115651 0.00159738 0.00546774 47
13945 53 O 38.3298 -0.439402 63.799 -0.00218449 0.000818327 0.00108632 47
13946 54 O 38.3633 4.42857 63.4258 -0.0023317 -0.00265575 0.000396752 47
13947 55 C 41.6638 4.97123 80.6701 -0.00238019 -0.000182529 -0.00137405 47
13948 56 C 42.3424 3.6542 80.046 0.00225163 -6.02601e-05 -0.00106125 47
13949 57 C 41.3389 1.56761 62.3396 0.00160993 -0.00304927 -0.00468617 47
13950 58 C 40.9704 2.20056 60.9855 0.00126142 -0.000168253 0.00079898 47
13951 59 C 40.241 1.2307 60.0834 -0.000141955 0.000341146 0.000270346 47
13952 60 C 40.2133 1.72337 58.6203 0.00661323 -0.000713883 -0.00262213 47
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14302 108 C 47.9881 15.7431 84.7065 -0.00576107 -0.00191403 -0.00014871 48
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14305 111 C 47.8541 16.4997 87.8473 0.00110674 0.00217471 0.000574544 48
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14310 116 C 48.8816 16.0503 94.0991 0.00158611 0.00109821 -0.00537528 48
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14321 127 C 48.2682 6.20965 92.9408 -0.000637686 -0.00229861 0.000721634 48
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15211 111 C 12.359 24.0746 87.8909 0.00252078 0.000780614 0.000315559 51
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15215 115 C 13.8264 23.3485 92.7731 0.000703582 0.00246887 0.00265803 51
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15219 119 C 12.4849 15.2863 84.479 -0.000978709 -0.00394113 0.00124809 51
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15224 124 C 13.5253 14.8862 89.6855 0.00233888 -0.00199173 0.00183983 51
15225 125 C 13.739 14.5599 91.1765 0.00168453 0.000228036 0.00274794 51
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15229 129 C 14.3968 15.1689 95.6465 0.00212339 -0.00145832 9.7408e-05 51
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15324 224 H 5.11914 17.8276 49.3988 0.006389 0.00438571 0.00496751 51
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15326 226 H 6.98561 15.4007 49.77 -0.00392364 0.00164428 0.00346876 51
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15329 229 H 5.51579 18.0329 81.819 -0.00152542 -0.00622839 0.0110298 51
15330 230 H 6.54715 17.745 83.9875 0.00900483 0.00610185 0.0162345 51
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15332 232 H 4.35133 19.8793 83.84 0.00443287 0.000824467 -0.00838129 51
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15338 238 H 5.85507 17.3967 88.621 0.000743867 0.00146167 0.000466307 51
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15340 240 H 4.39743 20.0959 88.4153 -0.00387854 0.0121283 0.0159567 51
15341 241 H 3.71415 18.6199 89.142 -2.5213e-05 0.00974845 0.00462971 51
15342 242 H 6.34973 19.8732 90.216 0.00271558 -0.00594978 0.000584093 51
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15345 245 H 5.71842 17.7053 91.2894 -0.00181138 -0.00178688 -0.000750257 51
15346 246 H 6.45662 19.5969 92.7812 0.000597279 0.00642534 -0.00371914 51
15347 247 H 4.79554 20.071 93.0648 0.00540487 0.00463012 0.00327068 51
15348 248 H 4.37227 17.7314 93.9711 -0.00379018 0.00379238 0.0246677 51
15349 249 H 6.12132 17.4112 93.7464 0.000169335 0.0116169 -0.0317397 51
15350 250 H 4.75182 19.4723 95.5365 0.0038657 0.00122634 -0.00300357 51
15351 251 H 5.52862 18.0198 96.1059 0.0105598 0.005742 0.00405724 51
15352 252 H 6.53163 19.3212 95.3952 0.0124311 -0.0209199 -0.00355398 51
15353 253 H 10.7432 22.9299 81.9935 -0.00284226 -0.00869099 -0.00903604 51
15354 254 H 10.8719 21.9505 83.4748 -0.00842042 0.00256248 -0.000548458 51
15355 255 H 13.4993 21.8275 82.9012 -0.00695846 -0.0114439 -0.00368585 51
15356 256 H 13.0884 23.2887 81.9911 -0.0206851 0.0158768 0.00833161 51
15357 257 H 14.0705 23.8911 84.135 0.000688699 0.00236507 0.019423 51
15358 258 H 12.5351 24.5549 83.9186 0.0181225 0.00806892 0.00479069 51
15359 259 H 11.4735 23.0899 85.6075 -0.0064528 -0.00473408 -0.00656548 51
15360 260 H 12.9166 22.0536 85.6376 -0.00205847 -0.00300795 -0.00429037 51
15361 261 H 14.2307 23.7986 86.7718 0.000487577 -0.00123854 0.00114819 51
15362 262 H 13.1936 25.0314 86.1535 0.0205282 -0.00822494 -0.0207265 51
15363 263 H 12.4564 25.0761 88.3278 -0.00595269 -0.00162167 0.00773808 51
15364 264 H 11.2895 24.0184 87.6533 0.00288633 -0.00857491 0.000924486 51
15365 265 H 11.6967 22.6105 89.4283 -0.00134397 0.00324066 0.000532964 51
15366 266 H 13.1618 22.1224 88.6256 0.00558413 0.00729922 -0.0135199 51
15367 267 H 14.5236 23.6968 89.9853 -0.00321723 0.00550957 -0.00290474 51
15368 268 H 13.0493 24.5493 90.441 0.00403209 0.00124332 -0.00143732 51
15369 269 H 12.2391 22.482 91.551 -0.00372579 0.0118001 0.00486736 51
15370 270 H 13.779 21.7071 91.2831 -0.00560785 0.000989289 0.000629519 51
15371 271 H 14.921 23.2773 92.7868 0.000218232 -0.00610459 -0.00282303 51
15372 272 H 13.5839 24.4176 92.7331 -0.000519209 0.00198487 -0.00285633 51
15373 273 H 12.0554 22.8955 93.9188 0.000212769 0.00284512 -0.00322033 51
15374 274 H 13.4183 21.7683 94.1586 -0.00896177 -0.00327723 0.0132348 51
15375 275 H 13.2824 24.6005 95.3026 0.0130109 0.00627142 -0.000273961 51
15376 276 H 13.0445 23.1707 96.2339 0.0128024 -0.0132879 0.000863831 51
15377 277 H 14.6781 23.412 95.5141 -0.000333285 -0.00357292 -0.00329736 51
15378 278 H 11.2469 14.4971 82.9643 -0.00344204 0.00124885 -0.00662219 51
15379 279 H 12.9603 14.4662 82.5763 -0.00125301 -0.000107838 0.000150536 51
15380 280 H 11.6331 15.5586 85.1144 0.0030865 -0.00636033 0.0077486 51
15381 281 H 13.1824 16.1216 84.6178 -0.0092537 0.00341291 -0.00131651 51
15382 282 H 13.989 13.7984 84.5294 -0.00230818 -0.00353377 -0.00164306 51
15383 283 H 12.3953 13.1576 84.9122 0.00273854 -0.00617724 0.0157532 51
15384 284 H 14.1401 14.8178 86.8228 0.00103621 -0.00688083 0.00513986 51
15385 285 H 13.7252 13.1102 86.8498 -0.0103492 -0.00397121 0.0101564 51
15386 286 H 11.2487 13.8272 87.1689 -0.000842916 0.00110188 0.00350331 51
15387 287 H 11.8108 15.4604 87.4297 0.00761159 -0.00165833 -0.000819922 51
15388 288 H 12.6986 13.0271 89.0113 -0.00155098 -0.00155716 -0.00577524 51
15389 289 H 11.4826 14.1789 89.5955 -0.00530031 0.00984837 -0.00790554 51
15390 290 H 13.3418 15.9594 89.5514 0.0154182 0.000412604 0.00316334 51
15391 291 H 14.4716 14.6911 89.1661 -0.00320726 -0.00611346 -0.00671254 51
15392 292 H 14.7078 14.9619 91.4979 -0.00189978 0.00860991 0.00308614 51
15393 293 H 13.737 13.4763 91.3474 -0.00872678 -0.00128782 -0.00696918 51
15394 294 H 11.6628 14.7554 91.9075 -0.00539238 0.0180881 0.0116145 51
15395 295 H 12.5846 16.2262 91.9572 0.00568916 0.00406171 -0.00295576 51
15396 296 H 12.8025 13.7689 93.7569 0.00480551 0.0015182 0.00904479 51
15397 297 H 12.1317 15.3606 94.215 -0.00175631 0.00713091 -0.00805181 51
15398 298 H 14.4861 16.2896 93.7577 -0.0055099 -0.00273317 0.000494233 51
15399 299 H 15.0618 14.636 93.6314 -0.00448256 -0.00299506 -0.00389432 51
15400 300 H 14.1367 14.1651 96.0044 -0.0073312 0.000164381 -0.00221834 51
15401 301 H 13.7033 15.8416 96.166 -0.00513832 -0.00532699 -0.00459937 51
15402 302 H 15.4045 15.4189 96.0008 0.00607192 0.00896996 -0.0185085 51
15403 1 C 16.1018 28.7082 79.822 0.00172232 0.000719919 0.00136896 52
15404 2 C 16.194 28.5757 78.4493 -0.0032781 -0.000463389 0.000443624 52
15405 3 C 15.6355 27.4691 77.8314 0.00106259 -0.00217342 0.000176026 52
15406 4 C 14.9368 26.4868 78.5996 -0.00253241 0.00209298 -0.0027995 52
15407 5 C 14.8945 26.5926 79.9979 -0.000294712 -0.00257366 -0.00163951 52
15408 6 C 15.5009 27.728 80.6304 0.000213606 0.00476227 0.00277705 52
15409 7 C 10.4147 25.4214 79.8362 4.38436e-05 0.000871276 -0.00397377 52
15410 8 C 10.4335 25.3698 78.4384 -0.00185975 0.00035564 -0.000305702 52
15411 9 C 11.6723 25.3006 77.8264 -0.00161739 -0.000278492 0.00203656 52
15412 10 C 12.8271 25.2716 78.6193 0.0023478 0.000166257 -0.000229908 52
15413 11 C 12.7675 25.3465 80.0247 0.000586165 0.00205097 -0.00750183 52
15414 12 C 11.5008 25.4058 80.6437 0.00184416 0.00484909 0.00299884 52
15415 13 C 16.1079 21.9684 80.1033 0.00517707 0.00113115 -0.00230331 52
15416 14 C 16.0587 21.9436 78.6987 -0.00219305 0.00155454 -0.001148 52
15417 15 C 15.4823 22.9918 78.0001 0.00199427 -0.0010024 -0.00097036 52
15418 16 C 14.8873 24.0488 78.7119 -0.00236661 -0.00272116 -0.00256475 52
15419 17 C 14.2426 25.2399 78.0482 0.000818114 -0.00278421 0.00249074 52
15420 18 O 15.5871 23.0103 82.2303 0.00397895 0.00341499 -0.00124326 52
15421 19 O 11.3383 25.4372 82.026 0.000175963 0.00233274 -0.00221557 52
15422 20 O 15.3846 27.881 82.0051 0.00175443 0.00239908 -0.000676741 52
15423 21 C 15.5053 23.027 80.8491 -0.00154914 7.05474e-05 -0.00565768 52
15424 22 C 14.2315 25.0778 76.562 0.00509311 -0.00141925 0.000907957 52
15425 23 C 14.1548 24.7897 75.3741 0.00370982 0.00141672 8.70591e-05 52
15426 24 C 13.8871 24.3904 74.023 0.000108892 0.00297411 -0.000548701 52
15427 25 C 13.4884 25.3445 73.0287 -0.00117827 0.00410427 -0.00607844 52
15428 26 C 13.109 24.9321 71.7489 0.000990876 0.00213484 0.000617652 52
15429 27 C 13.1306 23.5819 71.4435 -0.00131073 0.00398338 0.00234978 52
15430 28 C 13.4804 22.6247 72.3992 0.00107677 -0.00375784 0.000672248 52
15431 29 C 13.8629 23.0301 73.6977 -0.000259892 -0.00358006 -4.50478e-05 52
15432 30 C 12.8392 23.2198 70.0968 0.000876509 0.00621582 0.000702533 52
15433 31 C 12.5491 22.8783 68.9658 0.00390946 -0.000594185 0.00181067 52
15434 32 C 10.2826 19.3284 67.5441 -0.00197368 -3.40849e-05 0.00435203 52
15435 33 C 10.1395 19.181 66.1383 -0.00385367 -0.00195556 -0.00145423 52
15436 34 C 10.6466 20.1441 65.2373 0.00558945 0.00291844 0.000848917 52
15437 35 C 11.3125 21.2403 65.7926 9.44815e-05 0.000609446 0.00415973 52
15438 36 C 11.4944 21.3853 67.1812 0.00217166 0.00185136 -0.00343932 52
15439 37 C 10.9642 20.4343 68.0441 0.00203408 -0.000207169 0.000797596 52
15440 38 C 12.3226 22.62 67.5602 4.54432e-05 0.00191492 0.00201273 52
15441 39 C 16.0016 22.3798 66.4447 -0.0027644 0.000408858 -0.000527328 52
15442 40 C 15.8465 22.3594 65.041 0.0008785 0.000734391 -0.00183168 52
15443 41 C 14.5524 22.2808 64.484 -0.000164491 -0.00189195 0.00035113 52
15444 42 C 13.4393 22.3759 65.3475 -0.00426052 0.000915888 -0.00244442 52
15445 43 C 13.6221 22.4751 66.7625 0.000372275 0.00271024 -0.000568505 52
15446 44 C 14.9152 22.4879 67.2955 -0.00404361 -0.00382223 -0.000103407 52
15447 45 C 10.154 25.8227 66.7202 -0.000571678 -0.00261144 0.0038065 52
15448 46 C 10.2189 25.8062 65.282 -0.000541143 -0.00421826 0.000447403 52
15449 47 C 10.8381 24.7192 64.6878 -0.00223145 0.00136901 -0.00328917 52
15450 48 C 11.4124 23.6874 65.494 -0.00486847 -0.00227382 -0.000588858 52
15451 49 C 11.9627 22.397 64.9457 -0.0026904 0.00157993 -0.00223562 52
15452 50 C 11.5048 23.7846 66.8913 -0.00125329 -0.00181499 0.000476558 52
15453 51 C 10.8438 24.8677 67.4974 -0.0026838 -0.00612189 0.00169142 52
15454 52 O 14.4073 22.2892 63.1162 0.00122297 -0.000884879 0.00535896 52
15455 53 O 10.686 19.9701 63.8676 -0.00419504 0.00306793 0.00363994 52
15456 54 O 10.8935 24.6875 63.3144 -0.0059652 -0.00128707 -0.00145034 52
15457 55 C 14.1852 25.3871 80.6829 -0.00130921 -0.00302958 0.000699828 52
15458 56 C 14.892 24.0853 80.1378 -0.00128721 0.00161337 -0.00298298 52
15459 57 C 13.6084 21.3529 62.3551 -0.0026104 -0.00236021 0.0013212 52
15460 58 C 12.8997 22.1792 61.2608 -0.00534572 -5.46296e-05 0.00144751 52
15461 59 C 12.8271 21.4485 59.891 -0.0014331 0.00145181 -0.00169871 52
15462 60 C 12.4131 22.3665 58.7703 0.00239656 -0.000162424 -0.00278811 52
15463 61 C 12.5831 21.6014 57.4349 -6.06866e-05 0.00317868 -0.000973182 52
15464 62 C 12.1249 22.4149 56.1866 -0.00152861 -0.00125669 -0.000363691 52
15465 63 C 12.3412 21.5565 54.8977 0.001424 -0.000983209 0.00232974 52
15466 64 C 11.9509 22.2926 53.6211 0.00370507 0.00337298 -0.00522603 52
15467 65 C 12.4835 21.5129 52.4186 -0.000380065 -0.00087862 0.00108469 52
15468 66 C 11.8831 21.9642 51.0828 -0.00184045 0.0032998 -0.000387885 52
15469 67 C 12.426 21.1508 49.8896 0.00195969 -0.00655543 0.00100999 52
15470 68 C 13.8301 21.5345 49.4772 -0.0023656 0.00125871 -0.00218989 52
15471 69 F 12.7196 25.923 70.8727 -0.00120456 -0.0015052 0.00514567 52
15472 70 C 9.63603 19.3596 63.1709 0.00384626 -0.00202259 -0.00149726 52
15473 71 C 9.85618 19.956 61.7709 0.00230088 -0.00116455 0.00350356 52
15474 72 C 9.04945 19.2378 60.6525 -0.00227855 0.00351806 0.000355653 52
15475 73 C 9.58702 19.6593 59.2587 0.00587287 0.00312321 -0.00150937 52
15476 74 C 8.62699 19.3984 58.0806 0.00202342 0.00359915 0.0017903 52
15477 75 C 9.23024 19.7448 56.6631 0.003794 0.000564509 0.0018694 52
15478 76 C 8.39024 19.1939 55.494 -0.00138423 0.00322335 -0.00563757 52
15479 77 C 8.83834 19.7066 54.0998 7.17876e-05 -0.000335422 0.00566679 52
15480 78 C 8.0153 19.0941 52.9518 0.00205854 0.00125878 0.00122529 52
15481 79 C 8.47653 19.4973 51.5428 0.000801787 0.00327205 0.00237348 52
15482 80 C 9.6784 18.7601 51.0157 -0.00142495 0.00141587 -6.79582e-06 52
15483 81 C 9.81133 18.9327 49.4892 -0.00159904 -0.00194433 -0.000948918 52
15484 82 C 12.0565 25.3299 62.6914 -0.00160371 -0.00124443 -0.00152247 52
15485 83 C 11.7966 25.4358 61.1704 1.38119e-05 0.00139603 -0.000618141 52
15486 84 C 12.9718 26.0601 60.3597 0.000897139 -0.000604364 0.000869972 52
15487 85 C 12.6446 26.7747 59.0081 0.00109285 -0.00334021 0.00260232 52
15488 86 C 12.5141 25.8361 57.7717 0.000528271 4.26642e-05 0.0020179 52
15489 87 C 12.3954 26.6655 56.4945 -0.00259343 0.00308473 -0.00532964 52
15490 88 C 12.4854 25.8675 55.167 0.000749057 4.35973e-05 0.00194668 52
15491 89 C 12.4329 26.82 53.9506 -0.00265006 0.00162267 0.000555975 52
15492 90 C 12.4649 26.1293 52.6109 0.00196037 -0.00112941 0.00347525 52
15493 91 C 12.0148 27.0714 51.4668 -0.00335948 -0.000116689 -0.000830795 52
15494 92 C 11.7823 26.4292 50.089 0.00371213 0.000282462 -0.000863517 52
15495 93 C 12.9461 25.5967 49.5623 0.000489916 -0.00409497 -0.000720059 52
15496 94 C 10.0341 25.5894 82.6464 -0.00190312 0.000410052 0.00359953 52
15497 95 C 9.97136 25.1679 84.1194 0.00331681 0.00327194 0.00367563 52
15498 96 C 8.64576 25.5664 84.8348 0.000589321 0.00231385 -0.000390711 52
15499 97 C 8.62917 25.2072 86.3255 -0.000853709 -0.00489132 -0.000989466 52
15500 98 C 9.44489 26.1124 87.2809 0.000412745 0.00558314 -0.000897429 52
15501 99 C 8.96657 26.0139 88.7379 0.00417672 -0.00013507 -0.00415378 52
15502 100 C 9.96707 25.5446 89.8165 -0.00602451 0.00190023 -0.00366177 52
15503 101 C 9.54906 25.7109 91.2831 0.000358242 -0.00176481 0.000155115 52
15504 102 C 10.6855 25.2102 92.1931 0.00138777 -0.00230186 -0.00145604 52
15505 103 C 10.6371 25.6527 93.649 0.002856 0.00220075 -0.000232303 52
15506 104 C 9.78565 24.8708 94.6372 -0.00188545 0.00316653 -0.00153922 52
15507 105 C 10.041 25.3068 96.0678 0.00238713 0.000378926 0.00463023 52
15508 106 C 15.4714 29.1836 82.6649 -3.37235e-05 -0.00281403 0.000332764 52
15509 107 C 16.8873 29.4575 83.0932 0.00391782 -0.00339369 -0.00201373 52
15510 108 C 17.0209 30.579 84.1242 -0.0031239 -0.00188334 -0.000256516 52
15511 109 C 16.4861 30.2041 85.5178 0.000968649 -0.00281969 0.00519089 52
15512 110 C 17.0602 31.0293 86.6823 0.00343589 -0.000467855 -0.000418108 52
15513 111 C 16.4527 30.549 88.0178 -0.00138562 0.00168958 -0.00427799 52
15514 112 C 17.1079 31.042 89.2584 0.0020683 -0.00119648 -0.00282322 52
15515 113 C 16.6067 30.3275 90.5413 0.00262095 -0.00226782 -0.00361533 52
15516 114 C 17.4178 30.7133 91.7842 0.00114519 -0.00140653 0.00101115 52
15517 115 C 16.9208 30.009 93.0444 -0.00391725 -0.00288279 0.000563179 52
15518 116 C 17.8336 30.2637 94.2525 -0.000859155 -0.000826648 0.00141163 52
15519 117 C 17.3748 29.5893 95.5397 -0.000199919 0.00397077 -0.00409047 52
15520 118 C 16.1047 21.8413 82.9019 -0.000754054 0.00209491 -0.00343009 52
15521 119 C 15.9748 21.9569 84.4595 0.00341985 0.00215322 -0.00276006 52
15522 120 C 16.8596 20.9384 85.2465 0.00249709 -0.0085417 0.00477025 52
15523 121 C 17.1929 21.4319 86.6482 -0.00543089 0.00171097 0.00282401 52
15524 122 C 16.0454 21.1938 87.6836 -0.00241922 -0.000277369 -0.00143828 52
15525 123 C 16.3804 21.6946 89.0983 0.00124349 0.0012309 0.00351881 52
15526 124 C 17.7922 21.262 89.5811 -0.00281256 -0.000623286 -0.000287902 52
15527 125 C 17.9625 21.515 91.0748 0.000629406 0.00125714 0.000990923 52
15528 126 C 16.9608 20.7311 91.9606 -0.000146041 0.00253647 -0.00209347 52
15529 127 C 17.5451 20.5554 93.4197 0.00151989 -0.00308518 0.00169615 52
15530 128 C 17.4274 21.7216 94.4112 0.00190317 0.00190365 -0.00503802 52
15531 129 C 18.0837 21.3665 95.7643 -0.00243698 -0.00333628 -0.00391169 52
15532 130 F 13.531 26.6797 73.3018 0.00142458 -0.000325585 -0.00109312 52
15533 131 H 16.6392 29.5371 80.2731 -0.00304465 0.00610167 -0.00286534 52
15534 132 H 16.7491 29.2665 77.8216 -0.00280631 -0.00553826 -0.00474307 52
15535 133 H 15.8052 27.307 76.7711 -0.00400708 -0.000247525 -0.000922087 52
15536 134 H 9.40933 25.5169 80.2355 0.00194963 0.00243409 0.000425895 52
15537 135 H 9.5163 25.4174 77.8588 -0.00431614 -0.0229752 0.00168936 52
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15539 137 H 16.6147 21.1412 80.5914 0.00985204 0.010562 0.00882774 52
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15545 143 H 9.75605 18.243 65.7478 -0.00271858 -0.00319308 0.000393689 52
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15549 147 H 15.0486 22.5735 68.3699 0.00292601 -0.00744328 -0.000692967 52
15550 148 H 9.64958 26.6397 67.2276 0.00558639 -0.000951282 0.00725047 52
15551 149 H 9.81176 26.5951 64.6565 0.00839075 0.0027774 0.00344113 52
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15586 184 H 9.81991 20.7312 59.2703 0.00611014 0.00296312 0.00860039 52
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15588 186 H 8.47506 18.312 58.0726 0.0141451 0.0017383 0.0237129 52
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15590 188 H 9.41655 20.8212 56.562 0.00290973 0.000270341 -0.00286856 52
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15592 190 H 8.48068 18.101 55.4683 -0.00228691 0.00297864 0.0018605 52
15593 191 H 7.33743 19.4293 55.693 0.000856574 0.00494825 0.00422831 52
15594 192 H 8.73899 20.7982 54.0553 -0.00565719 -0.00115877 -0.00188777 52
15595 193 H 9.8957 19.4542 53.9526 -0.000843359 -0.00415691 0.00562983 52
15596 194 H 7.99993 17.9999 53.0281 0.00734678 0.00124506 0.0020941 52
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15598 196 H 7.61726 19.3104 50.887 -0.00330886 7.50658e-05 0.00866174 52
15599 197 H 8.64961 20.5788 51.481 0.013517 0.00100272 -0.00161894 52
15600 198 H 10.5741 19.1018 51.5489 -0.004045 -0.0021157 0.00667446 52
15601 199 H 9.62194 17.6876 51.2389 0.0071206 0.00134465 0.00187333 52
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15603 201 H 8.92276 18.4995 49.0136 0.00232771 -0.00462234 -0.00582876 52
15604 202 H 9.93375 19.9804 49.1878 -0.00944425 0.00160274 0.00825206 52
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15610 208 H 13.7396 25.3216 60.098 -0.000326314 -0.00492172 0.00956204 52
15611 209 H 11.7174 27.3558 59.0845 0.00279299 -0.000551785 0.0020111 52
15612 210 H 13.4317 27.505 58.7834 -0.0102636 0.00653012 -0.00520058 52
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15614 212 H 11.6549 25.1658 57.8978 -0.00485303 0.0065876 9.77843e-05 52
15615 213 H 11.4266 27.1798 56.515 -0.00745785 -0.00649771 0.00535241 52
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15617 215 H 13.4146 25.2884 55.2345 0.00302607 0.00336832 -0.00105298 52
15618 216 H 11.6796 25.1262 55.0991 -0.00521643 0.00646598 0.00272485 52
15619 217 H 11.5086 27.4008 54.0592 -0.0152342 -0.0188132 0.00264176 52
15620 218 H 13.2566 27.5404 54.0282 0.0080318 -0.0109914 0.00421688 52
15621 219 H 13.4923 25.7687 52.4776 0.00474437 0.00748054 0.0015354 52
15622 220 H 11.7172 25.3267 52.6044 -0.00697776 0.0071277 0.00773832 52
15623 221 H 11.0898 27.5671 51.7864 -0.00508082 0.0071667 -0.017151 52
15624 222 H 12.7401 27.8941 51.4433 -0.0122556 0.00756327 -0.00662655 52
15625 223 H 10.858 25.8407 50.1408 -0.000495674 0.00711616 0.0020555 52
15626 224 H 11.5231 27.174 49.3265 0.00364638 0.0028146 0.00164041 52
15627 225 H 13.8064 26.2395 49.3386 -0.00984941 0.0114795 0.00435756 52
15628 226 H 13.3348 24.8408 50.2558 0.00848507 -0.00291878 -0.00388789 52
15629 227 H 12.6862 25.0936 48.6228 0.00219672 -0.00033692 -0.00320782 52
15630 228 H 9.7381 26.6351 82.4971 -0.0135839 -0.00482818 -0.00999925 52
15631 229 H 9.29737 24.9624 82.1293 0.00303654 -0.014634 0.0148225 52
15632 230 H 10.0395 24.0731 84.1287 -0.0144811 0.00200442 -0.0129824 52
15633 231 H 10.8236 25.5457 84.6977 0.00491242 0.0120892 -0.00445188 52
15634 232 H 8.4347 26.6297 84.667 0.00960817 0.00536049 0.00761216 52
15635 233 H 7.81054 25.0403 84.3562 -0.0082892 -0.00149968 0.0192804 52
15636 234 H 7.57357 25.3159 86.6036 -0.00101751 0.00626826 -0.00594442 52
15637 235 H 8.87453 24.1492 86.4799 -0.00520111 -0.00592559 -0.00114162 52
15638 236 H 10.5212 25.9166 87.2001 0.000615596 0.00432732 0.0048234 52
15639 237 H 9.32648 27.175 87.0353 -0.00496931 0.00663972 0.00621001 52
15640 238 H 8.59434 27.0011 89.0384 0.0146463 -0.00290299 0.0178688 52
15641 239 H 8.03104 25.4451 88.8061 0.00163461 0.00356504 -0.00796938 52
15642 240 H 10.2237 24.5073 89.5684 -0.00307511 0.00201284 -0.00105791 52
15643 241 H 10.8809 26.1382 89.6902 -0.00333207 -0.00311347 -0.0077186 52
15644 242 H 9.25514 26.7438 91.5071 -0.0121711 -0.00667107 0.00641371 52
15645 243 H 8.68595 25.0667 91.4916 0.00418481 -0.00489691 0.00635916 52
15646 244 H 10.7269 24.114 92.1794 0.00856502 -0.00185328 -0.0158251 52
15647 245 H 11.6549 25.4858 91.76 -0.00152541 0.00525498 -0.00312473 52
15648 246 H 11.6567 25.6603 94.0538 0.00178265 0.0118675 0.00232561 52
15649 247 H 10.3173 26.7018 93.6685 0.00975142 0.00398908 0.0170026 52
15650 248 H 8.71435 24.9972 94.4379 0.000613666 0.00648939 -0.0127796 52
15651 249 H 9.98984 23.799 94.5235 -0.000874495 0.00209373 0.0104788 52
15652 250 H 11.0943 25.1484 96.3303 0.00691808 0.014588 -0.00497569 52
15653 251 H 9.80234 26.3759 96.1254 0.00781708 0.00130719 0.00973076 52
15654 252 H 9.41715 24.7491 96.7771 -0.000982182 6.87607e-06 0.00137257 52
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15656 254 H 14.8744 29.0815 83.5795 -0.00705112 -0.00676672 -0.00466132 52
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15658 256 H 17.4091 29.8409 82.2077 3.17078e-06 0.0077218 0.000460761 52
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15660 258 H 16.5597 31.509 83.7695 0.012703 0.00438783 -0.00437227 52
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15662 260 H 16.7157 29.1471 85.7006 0.00703689 -0.00296187 -0.00324827 52
15663 261 H 18.1538 30.9433 86.6908 0.00446865 0.0114473 -0.00994369 52
15664 262 H 16.8692 32.1025 86.5592 -0.0111069 -0.000471587 0.0221103 52
15665 263 H 15.3836 30.7947 88.0101 -0.00227257 -0.00230925 -0.0094446 52
15666 264 H 16.5799 29.4594 88.0282 0.0107502 0.00319068 0.00528033 52
15667 265 H 18.1991 30.9722 89.1703 0.00249533 -0.00652857 0.00673361 52
15668 266 H 16.9082 32.1064 89.4332 -0.0250966 -0.0069236 0.000998307 52
15669 267 H 15.5425 30.5711 90.6476 0.00100545 -0.00779934 -0.00706727 52
15670 268 H 16.7421 29.25 90.3857 0.0103236 -0.000295684 -0.0107047 52
15671 269 H 18.4559 30.4119 91.5972 0.00527168 0.0130693 0.000648582 52
15672 270 H 17.3897 31.8008 91.9253 0.011852 0.000571039 -0.0121128 52
15673 271 H 15.8894 30.3281 93.2391 -0.00220649 0.00147934 0.00247497 52
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15677 275 H 17.3266 28.4988 95.4306 -0.00448454 0.00305049 0.00687973 52
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15679 277 H 16.3592 29.9097 95.8026 0.00189996 0.00638673 0.00105038 52
15680 278 H 15.4965 20.9857 82.5834 -0.00994407 0.00712524 0.000565218 52
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15683 281 H 16.2689 22.9723 84.7526 -0.00636728 0.00321795 0.00334014 52
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15685 283 H 16.3604 19.9698 85.3734 -0.0157965 0.00284369 0.019719 52
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15687 285 H 18.1279 20.9651 86.9818 -0.000357787 0.0191984 0.013117 52
15688 286 H 15.8646 20.1119 87.6952 -0.0038663 0.000145809 0.0138609 52
15689 287 H 15.1376 21.6909 87.3199 -0.00315819 -0.0125698 -0.0164156 52
15690 288 H 15.5819 21.3046 89.7414 -0.0063705 -0.0147909 -0.01559 52
15691 289 H 16.3119 22.7893 89.112 0.00301605 0.00132504 0.00486536 52
15692 290 H 18.4891 21.9314 89.0619 -0.00189028 -0.00503096 -0.00470692 52
15693 291 H 17.9347 20.2119 89.2976 0.00813559 -0.000744066 0.00576073 52
15694 292 H 17.9147 22.589 91.2935 0.00509835 -0.00133022 0.014712 52
15695 293 H 18.984 21.2865 91.4031 -0.000642591 0.0142039 0.0141205 52
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15699 297 H 17.072 19.6819 93.8851 0.0038944 0.000863772 0.0115212 52
15700 298 H 16.3775 22.0038 94.5584 0.00742254 0.0182959 0.00294286 52
15701 299 H 17.931 22.5768 93.9438 -0.000729211 -0.000745937 -0.0127552 52
15702 300 H 19.1688 21.205 95.757 -0.00160373 0.00264038 -0.0104353 52
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15705 1 C 20.017 21.8811 79.3675 0.00364358 -0.000349975 -0.00412142 53
15706 2 C 20.0731 21.7597 77.9757 -0.0014744 -0.000171499 -3.16312e-05 53
15707 3 C 19.4813 20.6986 77.3372 -0.000263115 0.00205636 -0.00145338 53
15708 4 C 18.9027 19.686 78.1091 -0.00477746 0.00688095 -0.00169994 53
15709 5 C 18.8817 19.7592 79.5287 9.08483e-05 0.00235721 -0.00191592 53
15710 6 C 19.4172 20.9069 80.1945 0.00121331 0.00265668 0.00788308 53
15711 7 C 14.3079 18.5192 79.2922 0.000894908 0.00422852 -0.00249084 53
15712 8 C 14.3954 18.4186 77.9143 -0.00228497 0.0036125 -0.00244012 53
15713 9 C 15.6574 18.342 77.3261 -0.000421507 -0.00159406 -0.0037416 53
15714 10 C 16.8225 18.4446 78.1208 -0.00506401 0.0012283 -0.000850855 53
15715 11 C 16.7248 18.5391 79.5045 0.00334656 0.000171365 0.00248032 53
15716 12 C 15.458 18.6247 80.1437 -0.00311515 0.000464426 -0.000104383 53
15717 13 C 20.085 15.2178 79.5873 0.00208778 0.000919923 -0.000959253 53
15718 14 C 19.9876 15.1337 78.2185 0.00355195 0.00607641 0.0021548 53
15719 15 C 19.4032 16.1797 77.511 0.00225844 0.00138415 0.004827 53
15720 16 C 18.8276 17.2692 78.1978 -0.00237596 6.41696e-05 8.49397e-05 53
15721 17 C 18.218 18.4837 77.5105 -0.00111166 0.00521345 0.000225847 53
15722 18 O 19.7143 16.2988 81.7069 0.000629677 0.000504344 0.000909727 53
15723 19 O 15.2967 18.739 81.5209 0.000844139 0.00262416 0.000344655 53
15724 20 O 19.343 21.1142 81.5666 0.00417319 -0.00272606 0.000616356 53
15725 21 C 19.5224 16.263 80.3208 0.00170159 0.00325898 -0.00346396 53
15726 22 C 18.2086 18.4106 76.0426 0.00160145 -0.000336573 5.24901e-05 53
15727 23 C 18.0695 18.203 74.8703 -0.00206278 0.00126416 -0.00233258 53
15728 24 C 17.7308 17.8239 73.5588 -0.00257135 0.000679656 -0.000885292 53
15729 25 C 16.5172 18.3035 72.9876 0.00384502 -0.0014128 -0.0080577 53
15730 26 C 16.1134 17.7975 71.7377 -0.0013817 0.00125535 0.00178628 53
15731 27 C 16.8914 16.8038 71.0629 -0.00287033 -0.00482263 0.00234139 53
15732 28 C 18.1432 16.3891 71.5897 0.000518856 0.00330255 0.00241368 53
15733 29 C 18.4891 16.8163 72.8878 -0.00127425 4.00091e-05 -0.000570661 53
15734 30 C 16.5404 16.402 69.7591 0.00326316 -0.00403446 0.00173893 53
15735 31 C 16.3745 16.1654 68.5775 -0.000677765 0.000186754 -0.00162522 53
15736 32 C 14.4673 12.5226 66.9281 -0.000555616 -0.00646962 0.00437031 53
15737 33 C 14.5172 12.3446 65.5291 -0.000341854 0.000598179 0.0038175 53
15738 34 C 15.037 13.3301 64.6833 -0.00198357 0.000195178 -0.00242835 53
15739 35 C 15.4815 14.5379 65.2642 -0.00166884 0.00502255 0.00138807 53
15740 36 C 15.52 14.7038 66.6894 0.00322667 -0.00182762 -0.000339548 53
15741 37 C 15.0125 13.6826 67.5171 -0.00220519 0.00260853 -0.0019518 53
15742 38 C 16.2957 15.939 67.1113 -0.00132038 0.000506109 5.48661e-05 53
15743 39 C 20.034 15.5334 66.2515 0.00715252 -0.000801865 0.00328627 53
15744 40 C 19.9138 15.4234 64.8591 -0.00145534 -0.00207652 -0.000741885 53
15745 41 C 18.6794 15.5157 64.2366 0.00044264 -1.57935e-05 0.00122091 53
15746 42 C 17.5513 15.69 65.0324 0.00173202 -0.00282254 -0.00286979 53
15747 43 C 17.6403 15.8259 66.4202 0.000922055 -0.00337166 -0.00427407 53
15748 44 C 18.9057 15.7744 67.0268 -0.00118191 0.00225683 -0.00104093 53
15749 45 C 14.067 18.9844 66.3233 0.00561354 0.000442952 0.00118119 53
15750 46 C 13.9932 18.8539 64.9346 0.000196391 0.00069799 0.00483115 53
15751 47 C 14.7203 17.8819 64.228 0.0064625 -0.00176729 -0.0038006 53
15752 48 C 15.5129 16.9711 64.9563 0.00236201 0.00154109 7.18792e-05 53
15753 49 C 16.1402 15.6571 64.4513 -0.00301648 0.00456582 -7.47039e-05 53
15754 50 C 15.5551 17.0768 66.4033 -0.000743964 0.00329718 -0.00324223 53
15755 51 C 14.8538 18.1005 67.0551 0.00194429 -0.00350078 0.0005368 53
15756 52 O 18.5992 15.512 62.8701 -0.000996299 0.00124111 -0.000126314 53
15757 53 O 15.2514 13.153 63.3495 -0.000947747 -0.000985854 0.00224152 53
15758 54 O 14.6372 17.8681 62.8687 -0.00115575 0.000205186 0.00177274 53
15759 55 C 18.1244 18.5496 80.2117 -0.000390834 0.00285726 0.000598093 53
15760 56 C 18.8589 17.3061 79.6176 0.00368326 -0.000496388 0.00351387 53
15761 57 C 18.2656 16.7235 62.1969 0.00259032 0.00248626 -0.00204611 53
15762 58 C 17.6065 16.4164 60.8824 -0.000210675 0.00461182 -0.00260627 53
15763 59 C 18.5503 16.1852 59.6756 0.000937409 0.00092188 -0.00243235 53
15764 60 C 18.2668 14.8794 58.875 -0.00311873 0.00133094 -0.0026529 53
15765 61 C 16.8372 14.7148 58.3308 -0.0020224 0.00208733 0.00254578 53
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15767 63 C 17.3031 14.5145 55.8078 0.00137758 -0.00469821 0.00679411 53
15768 64 C 16.736 15.0185 54.4795 0.0028021 0.00131334 0.000542568 53
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15770 66 C 17.0085 15.0958 52.0233 -0.000384319 0.00151587 0.00428399 53
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15772 68 C 17.4631 15.0739 49.3922 0.00172054 0.00099649 0.00166535 53
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16312 4 C 26.8128 19.6224 78.7706 0.00420036 0.000229714 0.00289586 55
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16314 6 C 27.3027 21.0853 80.6417 0.0050237 -0.00685356 -0.00190151 55
16315 7 C 22.2433 18.5061 80.2532 -0.00273325 0.000345718 0.00286606 55
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16346 38 C 23.8692 15.7063 68.2209 0.00156383 -0.000694522 0.0047912 55
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16348 40 C 27.5806 15.9982 66.0214 0.00257158 0.00277958 0.0059062 55
16349 41 C 26.3436 16.0238 65.3787 -0.00225654 -0.0027265 0.00323738 55
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16364 56 C 26.8131 17.4509 80.5392 0.000849817 0.000973925 0.00217971 55
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16369 61 C 24.4526 14.9136 58.2379 0.00542214 -0.00240552 0.00491997 55
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16381 73 C 25.1193 10.9608 60.1735 -0.00185267 0.00419154 0.000298786 55
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16384 76 C 24.3245 10.0266 56.5157 -2.24503e-05 0.000994547 0.00058446 55
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16386 78 C 24.3708 9.56518 54.051 -0.00202867 3.59545e-05 0.00188014 55
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16392 84 C 21.5007 18.1496 60.6526 -0.000144665 -0.00318336 0.00155228 55
16393 85 C 21.913 17.6031 59.3021 0.00104343 0.00169987 0.00479635 55
16394 86 C 21.7686 18.6664 58.204 0.000817075 -0.00289564 -0.0020935 55
16395 87 C 21.7871 18.2026 56.7337 -0.00531535 -0.000101294 0.000550423 55
16396 88 C 20.5211 17.3183 56.3749 -0.000881508 0.000259751 -0.000102495 55
16397 89 C 20.2204 17.3184 54.8634 0.00173163 0.000999511 0.00226754 55
16398 90 C 21.4511 16.8787 53.9999 -0.000438204 0.000522445 -0.0010277 55
16399 91 C 21.0146 16.4869 52.5827 0.0021366 0.00176608 -0.00442886 55
16400 92 C 20.2388 17.642 51.8852 -0.0029659 -0.000386239 0.00180915 55
16401 93 C 20.2881 17.598 50.4025 0.0010503 0.00258995 0.00544642 55
16402 94 C 22.14 19.9611 82.6477 0.00321368 -0.000613508 0.00130698 55
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16404 96 C 21.1999 19.1787 84.9289 0.00293975 0.00132475 -0.00243953 55
16405 97 C 20.001 18.5602 85.6638 0.00254077 0.00372629 0.00642775 55
16406 98 C 19.9372 19.0587 87.1075 0.000506597 0.000358926 -0.00248663 55
16407 99 C 20.908 18.4531 88.1381 -2.7668e-05 -4.58304e-05 0.00104589 55
16408 100 C 20.6271 19.0437 89.5202 -0.00327123 0.000296219 0.000979921 55
16409 101 C 21.4866 18.4944 90.6618 -0.000694864 -0.00336431 0.00337583 55
16410 102 C 21.036 19.1652 91.9979 0.00180415 0.00410426 0.000931554 55
16411 103 C 21.7428 18.622 93.2308 0.00296086 0.00177565 -0.00703229 55
16412 104 C 21.3683 19.359 94.4746 0.0013903 -0.00186833 0.00494473 55
16413 105 C 21.943 18.8451 95.8236 0.00481003 -0.0038408 -0.00325002 55
16414 106 C 27.9527 22.5536 82.4923 0.00156739 0.000295542 -0.00367012 55
16415 107 C 28.0166 22.6397 84.0403 -0.0036512 0.00315545 -0.00270666 55
16416 108 C 28.7418 23.9015 84.5502 0.00245801 0.00430682 -0.00185235 55
16417 109 C 28.513 23.9486 86.0847 -0.00550359 0.00754587 0.000552257 55
16418 110 C 29.435 22.9862 86.7947 -0.00265638 -0.000656681 -0.00157378 55
16419 111 C 28.9952 22.4821 88.172 -0.00269298 0.00285482 0.00176625 55
16420 112 C 29.0254 23.4798 89.3744 -0.00289055 0.00520682 0.00304342 55
16421 113 C 29.0186 22.6254 90.6565 0.000959097 -1.2843e-05 0.00321997 55
16422 114 C 28.9423 23.4617 91.9322 -0.00101371 -0.000937479 0.00125332 55
16423 115 C 29.1105 22.6568 93.2466 -0.00118496 -0.00283245 0.00456343 55
16424 116 C 29.1577 23.5412 94.4803 0.00435226 -0.00199926 0.00240026 55
16425 117 C 29.4545 22.7107 95.7711 0.00224125 0.00174714 -0.00091887 55
16426 118 C 27.4895 15.5277 83.6381 -0.000613021 0.000633248 0.00268586 55
16427 119 C 28.8839 15.3856 84.1699 -0.00357516 -0.000560442 -0.00174386 55
16428 120 C 29.1177 14.1707 85.0925 0.00042795 -0.00274665 -0.00129369 55
16429 121 C 28.183 14.0741 86.3262 0.000724038 -0.00083953 0.00352108 55
16430 122 C 28.3951 14.9685 87.5259 0.00252233 0.00311544 0.00228349 55
16431 123 C 29.4391 14.4062 88.4994 0.00416126 -0.00129481 0.0035248 55
16432 124 C 29.4314 15.1188 89.8522 0.00024236 -0.00134121 -0.00200593 55
16433 125 C 30.1455 14.321 90.9985 -0.00204368 0.00209682 0.000289189 55
16434 126 C 29.8184 15.0222 92.32 -0.0013745 -0.00489027 -0.000871433 55
16435 127 C 30.3147 14.1999 93.4832 0.00442234 -0.000524549 -0.000297674 55
16436 128 C 30.1103 14.834 94.8372 -0.00300834 -0.00386339 0.000775496 55
16437 129 C 28.6336 14.9778 95.2862 -0.00154794 0.000440338 -0.000716665 55
16438 130 F 25.9003 15.0179 75.2512 0.000318296 0.00284839 -0.00333746 55
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16550 242 H 21.3697 17.4065 90.7405 0.00444986 -0.00415507 9.44825e-05 55
16551 243 H 22.557 18.6875 90.5188 -0.00302784 0.00322908 -0.00507167 55
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16555 247 H 22.832 18.6386 93.1011 0.00370485 -0.003882 -0.0015562 55
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16557 249 H 20.2817 19.4504 94.5939 0.000990921 -0.0140757 0.0106355 55
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16560 252 H 21.5638 19.4578 96.6508 0.0142217 0.00543227 -0.00581579 55
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16563 255 H 27.0172 22.6323 84.4927 -0.00380715 0.00442197 -0.00302675 55
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16567 259 H 28.7226 24.9621 86.4485 0.00295524 0.00167049 0.0120599 55
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16572 264 H 29.671 21.6506 88.4071 -0.00761875 -5.74315e-05 0.0056359 55
16573 265 H 29.9138 24.1232 89.3599 0.00136796 -0.000324382 0.0183855 55
16574 266 H 28.128 24.1107 89.3806 -0.00601109 0.00068928 0.0134923 55
16575 267 H 28.211 21.8834 90.6358 -0.0038962 0.00517091 0.00720437 55
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16578 270 H 28.0014 24.0254 91.9141 0.00426205 0.00800179 0.0048601 55
16579 271 H 28.2351 21.9985 93.3068 0.0035666 -0.00879944 0.00824821 55
16580 272 H 29.9849 22.0029 93.14 0.000818782 0.000178966 0.00253328 55
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16595 287 H 28.6332 16.0029 87.2489 0.00463 0.0026408 0.00232135 55
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16601 293 H 29.7589 13.2946 91.0169 -0.000420962 0.0014827 8.95972e-05 55
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16607 299 H 30.744 14.4137 95.6278 0.00265622 0.00419618 0.000550829 55
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16611 1 C 31.7207 28.6975 80.0801 -0.00275741 0.00146785 0.0074065 56
16612 2 C 31.8017 28.6355 78.7094 -0.00184114 0.00140633 0.000761469 56
16613 3 C 31.2039 27.5877 78.0065 0.00321799 0.00444789 -0.00446964 56
16614 4 C 30.5643 26.5734 78.7485 0.0024084 0.000835003 -0.000809233 56
16615 5 C 30.5089 26.6116 80.1736 -0.000613849 0.00635179 0.000994012 56
16616 6 C 31.0555 27.7206 80.8326 -0.00191842 0.00197381 -0.00218013 56
16617 7 C 25.9573 25.5478 79.9306 -0.0014356 8.08296e-05 -0.00154724 56
16618 8 C 26.033 25.384 78.5239 0.00160336 -0.00110781 0.000645175 56
16619 9 C 27.2911 25.4054 77.9257 0.00239658 -0.00280183 -0.00158911 56
16620 10 C 28.4464 25.4153 78.7076 0.00506918 0.0013194 0.000453131 56
16621 11 C 28.39 25.4415 80.117 -0.00361289 -0.000904598 0.00633215 56
16622 12 C 27.1126 25.5313 80.7348 -0.00282679 0.00278568 0.000176549 56
16623 13 C 31.8165 22.063 79.9542 0.000989812 0.00399625 0.000538134 56
16624 14 C 31.7407 22.0505 78.5675 0.00495005 -0.000257222 0.00151651 56
16625 15 C 31.1439 23.1321 77.9709 0.0041111 -0.0026527 0.00610529 56
16626 16 C 30.5043 24.1221 78.7094 0.000425773 -0.00270273 -0.00029952 56
16627 17 C 29.8376 25.3605 78.1293 0.000429522 -0.00315964 -0.00118555 56
16628 18 O 31.4076 23.0647 82.1699 -0.00559412 0.000657306 -0.00169443 56
16629 19 O 26.9424 25.6612 82.117 -0.00112673 0.00258256 -0.00088883 56
16630 20 O 30.8142 27.8774 82.2056 -0.00076404 -0.000860307 0.000832319 56
16631 21 C 31.2176 23.0849 80.778 0.00210463 0.00488805 0.000467818 56
16632 22 C 29.8284 25.3382 76.6659 -0.00196108 -0.000847467 -0.00310144 56
16633 23 C 29.7014 25.1296 75.4895 0.0015848 0.00793131 0.00152749 56
16634 24 C 29.439 24.7391 74.1593 0.0039236 -0.000184507 -0.00601492 56
16635 25 C 28.5784 25.4965 73.3278 -0.00284989 0.00542488 -0.00167855 56
16636 26 C 28.1974 24.9733 72.0799 -0.000211897 0.00208443 -0.000233623 56
16637 27 C 28.6028 23.687 71.7145 0.000809591 0.00395449 0.000185551 56
16638 28 C 29.4483 22.9421 72.5277 0.000167742 0.00121213 -0.00187646 56
16639 29 C 29.9378 23.4862 73.7332 0.000136167 0.00494991 -0.000267661 56
16640 30 C 28.2717 23.2101 70.4102 -0.0047062 0.0039904 -0.00103194 56
16641 31 C 28.0888 22.8509 69.2787 -0.00373786 0.00090642 -0.00234758 56
16642 32 C 25.7776 19.4435 67.5074 -0.00199833 0.00180225 0.000931689 56
16643 33 C 25.8186 19.297 66.1158 -0.00284099 0.00132698 -0.000605056 56
16644 34 C 26.5058 20.2412 65.3005 -0.00585316 0.00370105 0.000736445 56
16645 35 C 27.1206 21.3361 65.9246 -0.00106562 -0.00110876 0.00225618 56
16646 36 C 27.1535 21.4372 67.3342 0.00077872 -0.00352331 -0.00426963 56
16647 37 C 26.4868 20.4593 68.1093 -0.000469608 -0.000215433 0.00341406 56
16648 38 C 27.9462 22.6628 67.8333 0.005532 0.00106088 0.00111984 56
16649 39 C 31.7082 22.6993 66.8888 -0.00299217 -0.00307271 0.00115376 56
16650 40 C 31.5904 22.743 65.5157 -0.00513549 1.74078e-05 -0.00143159 56
16651 41 C 30.3469 22.6193 64.9136 0.000964866 0.00347001 -0.000659741 56
16652 42 C 29.2166 22.551 65.7197 -0.00134814 0.000493488 0.000277436 56
16653 43 C 29.3186 22.6425 67.1208 -0.00297724 0.00268647 0.00169324 56
16654 44 C 30.5916 22.707 67.739 0.000611879 -0.0015092 0.00408462 56
16655 45 C 26.0169 25.9696 67.0872 -0.000302416 0.000451571 -0.000330328 56
16656 46 C 26.0104 25.8886 65.6798 0.000130023 -0.00354159 -0.000594461 56
16657 47 C 26.665 24.8328 65.0303 -0.000571612 -0.000235485 0.00118599 56
16658 48 C 27.1821 23.7638 65.7648 0.00289845 0.000444125 0.00222372 56
16659 49 C 27.7987 22.4594 65.1901 -0.000839854 0.001394 -0.00442794 56
16660 50 C 27.2453 23.8762 67.1707 0.000817012 -1.79016e-05 -0.00409669 56
16661 51 C 26.6192 24.9396 67.843 -0.0038534 -0.0012285 -0.00134045 56
16662 52 O 30.1619 22.8038 63.5758 -0.000276378 0.00439336 -0.00115084 56
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16664 54 O 26.5506 24.8368 63.6592 0.00167529 0.000952035 0.0062172 56
16665 55 C 29.8148 25.3627 80.7633 -0.0039376 -0.00199427 -0.00289213 56
16666 56 C 30.5186 24.1245 80.1257 -0.000329519 -0.00471566 0.00218875 56
16667 57 C 30.4779 21.8017 62.6368 0.000541355 0.000316677 -0.000593083 56
16668 58 C 29.5429 22.0804 61.4566 -0.00334196 -0.00179384 0.00257186 56
16669 59 C 30.0597 21.4461 60.1493 0.000638718 0.00240864 -0.000793044 56
16670 60 C 29.1486 21.7886 58.9227 0.000406742 -0.00268319 -0.0012461 56
16671 61 C 29.7546 21.3727 57.5717 0.00540894 -0.000927943 0.00541269 56
16672 62 C 28.7161 21.6546 56.4733 -0.00175308 -0.00227951 0.00227764 56
16673 63 C 29.2639 21.3882 55.0563 -0.00252606 -0.000565137 0.00321797 56
16674 64 C 28.2338 21.6416 53.9518 0.00201311 0.00330075 0.000140015 56
16675 65 C 28.9325 21.8085 52.6165 0.000259693 0.00183795 -0.00475632 56
16676 66 C 27.9573 21.8463 51.4425 0.000277157 -0.000855942 0.000181081 56
16677 67 C 28.671 22.047 50.0894 -0.00228454 0.00232756 -0.00180151 56
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16900 290 H 31.7466 21.8334 89.6723 0.00279226 0.00497133 0.00760122 56
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16944 32 C 30.1235 12.4443 67.3157 0.00641512 0.00037382 0.000647121 57
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17506 292 H 41.4922 22.3666 90.7446 -0.00709488 0.00497422 0.000456099 58
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17509 295 H 39.5769 21.7074 92.3006 0.00176247 0.00154102 0.00371281 58
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17515 301 H 42.5055 22.349 95.6354 -0.00782596 0.00993196 -0.00805717 58
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17518 2 C 43.4696 21.7782 78.2909 0.00334985 0.000476712 0.000691718 59
17519 3 C 42.965 20.5634 77.7517 -0.00281243 -0.00110473 -0.000680847 59
17520 4 C 42.4132 19.5873 78.6236 0.00436151 -0.0045657 0.00267294 59
17521 5 C 42.4488 19.7432 79.9918 0.000199325 -0.00207209 -0.00165981 59
17522 6 C 43.0614 20.9141 80.5588 0.00411979 -0.00233689 -0.00561782 59
17523 7 C 37.859 18.5706 80.0717 -0.000402069 0.00150008 -0.00164667 59
17524 8 C 37.8901 18.464 78.6905 -0.00488073 -0.000797392 0.00332729 59
17525 9 C 39.0832 18.4095 77.9763 -0.000734358 0.000827503 -0.000606036 59
17526 10 C 40.294 18.4497 78.6935 -0.00552176 0.00581694 -0.000792929 59
17527 11 C 40.2949 18.5495 80.1038 -0.000839466 -0.00429465 -0.00327811 59
17528 12 C 39.0705 18.6604 80.8049 -0.000404603 0.00146197 -0.000472705 59
17529 13 C 43.6062 15.1628 80.2847 -0.00288817 -0.00126979 -0.00367974 59
17530 14 C 43.6224 15.1118 78.8889 -0.0022908 0.000863236 0.00168664 59
17531 15 C 43.0271 16.0945 78.1704 -0.00289004 -0.00269058 0.00280415 59
17532 16 C 42.43 17.181 78.838 0.001836 -0.00173429 -0.000419562 59
17533 17 C 41.7091 18.318 78.1158 0.000787028 0.00144916 -0.000740356 59
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17536 20 O 43.1252 21.1524 81.908 0.00333143 0.00289703 -0.00102453 59
17537 21 C 42.9921 16.2172 81.0183 0.00074331 0.00213166 -0.000306854 59
17538 22 C 41.6336 18.1796 76.6621 -0.00132828 0.00400774 -0.00397789 59
17539 23 C 41.4331 17.9071 75.4893 0.00122918 -0.000556229 0.000539644 59
17540 24 C 41.0825 17.5633 74.1344 0.00263147 -0.000287119 0.00181437 59
17541 25 C 40.3033 18.3665 73.297 -0.0032677 -0.000482001 0.000829788 59
17542 26 C 40.0222 17.9851 71.9625 0.00370554 -0.00285032 0.00084423 59
17543 27 C 40.3817 16.686 71.5295 0.00189246 -0.00251378 -0.00310137 59
17544 28 C 41.1248 15.8713 72.4067 -0.00192257 -0.00188279 0.000593374 59
17545 29 C 41.4601 16.2979 73.6707 0.0015428 0.00297959 -0.00199943 59
17546 30 C 39.9918 16.2466 70.2039 -0.00103292 0.000544775 -0.00446671 59
17547 31 C 39.7306 16.0021 69.0467 0.00338177 0.00335864 0.00166392 59
17548 32 C 37.9724 12.345 67.3027 -0.000722088 0.000459517 -0.00407725 59
17549 33 C 37.9413 12.2169 65.9142 0.0025403 0.00745433 -0.00043288 59
17550 34 C 38.3751 13.2284 65.1037 0.00349676 -0.00326963 0.00311531 59
17551 35 C 38.8493 14.4424 65.6883 -0.000614891 -9.4309e-05 4.35866e-05 59
17552 36 C 38.9477 14.5573 67.0914 -0.00261611 -0.0015733 0.00160492 59
17553 37 C 38.4829 13.5054 67.9011 0.00158179 0.00125888 -0.00157352 59
17554 38 C 39.54 15.8664 67.5984 0.00153078 0.000860056 -0.00319677 59
17555 39 C 43.3342 15.9455 66.6451 -0.000871157 -0.00161133 0.00218264 59
17556 40 C 43.2023 15.9038 65.2622 0.00084785 0.0028923 -0.000524652 59
17557 41 C 41.9724 15.9468 64.662 0.00166928 -0.000557223 -0.0013989 59
17558 42 C 40.7783 15.8429 65.4514 0.00201739 0.00129209 0.000614199 59
17559 43 C 40.8787 15.896 66.8729 -0.000325828 -0.0077455 8.75265e-05 59
17560 44 C 42.1765 15.9715 67.4316 0.00202866 0.00107019 0.00102103 59
17561 45 C 37.5125 19.051 66.9192 0.000667708 -6.32495e-05 0.00352527 59
17562 46 C 37.35 18.9173 65.5283 0.0010044 0.00256692 0.00324782 59
17563 47 C 37.8357 17.8156 64.8286 0.00226298 -0.00115453 -0.00410306 59
17564 48 C 38.6205 16.8999 65.5445 0.000311076 -0.00672102 0.0036265 59
17565 49 C 39.3612 15.678 64.9646 -0.000845429 -0.000345921 -0.00081961 59
17566 50 C 38.7533 16.9911 66.924 -0.0020487 -0.00209794 -0.00170655 59
17567 51 C 38.2306 18.1026 67.6286 -0.00314693 0.00334842 -0.00132496 59
17568 52 O 41.9028 16.1832 63.2988 -8.79595e-05 -0.00260635 0.000667016 59
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17570 54 O 37.4125 17.643 63.5196 -0.0017651 0.000262842 -0.000596159 59
17571 55 C 41.7496 18.5885 80.7209 -0.000808812 -0.00374903 0.00245719 59
17572 56 C 42.4246 17.2897 80.2381 0.000262829 0.0015756 -0.00126597 59
17573 57 C 41.599 15.1111 62.3759 0.000877706 0.00198942 -0.00231139 59
17574 58 C 41.6243 15.7722 60.9773 -0.00142097 4.75259e-05 -0.0028834 59
17575 59 C 41.0193 14.9231 59.8495 0.00650601 0.00320378 -4.39586e-05 59
17576 60 C 41.0167 15.6626 58.466 -0.00254523 0.000203154 0.00400083 59
17577 61 C 40.8029 14.669 57.3192 -0.000660352 0.00160027 0.00124643 59
17578 62 C 40.9093 15.4385 55.9668 0.0030371 -0.000873785 -0.00337302 59
17579 63 C 40.7637 14.5677 54.6932 0.00318091 -0.00448353 0.0016864 59
17580 64 C 40.7789 15.4722 53.4206 -0.000209919 -0.00184967 0.00116502 59
17581 65 C 40.5367 14.7328 52.11 -0.00263925 0.00241396 0.000486337 59
17582 66 C 40.621 15.694 50.8991 -0.00253568 -0.00364968 0.000503249 59
17583 67 C 39.8278 15.1839 49.6276 0.0016278 0.00374621 -0.0011574 59
17584 68 C 40.2067 13.7269 49.3321 0.00109451 -0.000523275 0.00241086 59
17585 69 F 39.274 18.7892 71.191 -0.00198117 -0.00167787 -0.00127531 59
17586 70 C 39.5619 12.0435 63.3415 0.00221088 0.000794616 0.00101448 59
17587 71 C 39.4921 11.7278 61.8382 -0.00508716 -0.000571183 -0.00476195 59
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18768 44 C 10.8834 29.0893 67.3711 0.000221533 0.00281578 0.000903186 63
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18789 65 C 8.38001 28.028 52.2626 0.000140011 0.000448654 0.00355864 63
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18796 72 C 8.1092 23.9047 61.3759 0.00357511 -0.00318877 0.000780036 63
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18809 85 C 5.80805 30.4753 58.5553 0.000270001 -0.00292838 0.00290658 63
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18819 95 C 6.15079 32.6098 83.8319 0.000677619 0.00152954 0.000368639 63
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18824 100 C 5.05114 31.7271 89.223 -0.000290256 -0.000412337 -0.000746961 63
18825 101 C 6.01022 31.6634 90.4464 -0.00230398 -0.00031819 0.00254069 63
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18827 103 C 6.32837 31.5783 92.919 0.00421204 -0.000347945 -0.00394135 63
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18833 109 C 13.0461 37.2702 85.8797 -0.00553673 0.00606627 0.000894314 63
18834 110 C 12.236 37.7852 87.0993 0.0021843 -0.00163062 0.00413346 63
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18837 113 C 13.0556 38.2914 90.8923 -0.00330434 -0.004501 0.000851918 63
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18845 121 C 13.7058 28.0725 85.8435 -0.0021896 0.000229434 -0.00201644 63
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18848 124 C 13.091 29.0585 89.5095 -0.00209253 0.000242703 0.00107004 63
18849 125 C 13.1359 28.0242 90.6253 0.000325389 0.00092801 0.00663959 63
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19402 74 C 16.3994 24.6244 58.7592 -0.00261271 -0.00116859 -0.00163194 65
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19404 76 C 16.1811 24.7669 56.2033 -0.00234294 0.000471401 0.000381424 65
19405 77 C 15.9037 23.9839 54.9125 0.000846108 0.00521801 -0.00241289 65
19406 78 C 16.1785 24.8491 53.6522 -5.70083e-05 -0.00132602 0.000401949 65
19407 79 C 16.1526 24.0414 52.3344 -0.00187137 -0.000349207 0.00171038 65
19408 80 C 16.3742 24.8938 51.0875 0.00233557 0.00273672 -0.000927579 65
19409 81 C 16.6467 24.0597 49.8397 0.00275332 -0.00172385 -0.00325846 65
19410 82 C 13.3664 31.1344 62.9475 0.00631701 0.0026007 0.00120189 65
19411 83 C 13.2889 30.2153 61.7186 -0.00193678 0.0010051 0.00129094 65
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19414 86 C 12.8809 31.0781 57.9444 -0.00029565 0.000631225 -0.000180692 65
19415 87 C 12.887 30.2384 56.6451 -0.00319218 -0.00394413 0.00052537 65
19416 88 C 12.5994 31.1202 55.4505 0.00172328 0.00120894 0.00107385 65
19417 89 C 12.7088 30.3867 54.0807 -0.00297178 0.0018533 -0.00344669 65
19418 90 C 12.5383 31.3673 52.943 -0.000223523 0.00260885 -0.000416688 65
19419 91 C 12.6441 30.6317 51.6101 0.000404825 0.000197263 -0.0030005 65
19420 92 C 12.6296 31.6263 50.3942 -0.00310155 0.00303643 0.000928941 65
19421 93 C 12.6592 30.8557 49.0805 -0.00173742 -0.000879902 -0.0012626 65
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19423 95 C 14.1071 32.4813 83.8707 0.000876567 -0.000782865 -0.00112415 65
19424 96 C 12.693 32.5552 84.4437 -0.00718445 -0.00197113 0.000897885 65
19425 97 C 12.6738 32.0878 85.9226 0.00357696 -0.00025247 0.00125283 65
19426 98 C 13.4216 33.0309 86.8703 -0.000806685 0.00096261 -0.00311578 65
19427 99 C 12.9689 32.6813 88.2859 -0.00322397 0.00142531 0.00199287 65
19428 100 C 13.7714 33.3297 89.4615 -0.000561854 0.00148349 0.00066882 65
19429 101 C 13.3151 32.7114 90.8103 -0.000676463 -0.00516474 0.00184317 65
19430 102 C 14.1115 33.188 91.9618 -0.00136801 -0.00121936 -0.00297406 65
19431 103 C 13.7324 32.4929 93.2231 -0.00161907 -0.000749853 -0.00218186 65
19432 104 C 14.4803 33.0463 94.4635 -0.00124273 -0.00104162 0.00131828 65
19433 105 C 14.0917 32.2857 95.6786 -0.00176609 0.00330346 0.00443002 65
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19436 108 C 21.0726 37.3548 83.8485 -0.000342007 0.000392904 -0.00107393 65
19437 109 C 20.8069 37.8225 85.294 -0.00156744 -0.00252111 -0.00348261 65
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19439 111 C 21.0877 37.6875 87.8017 -0.000399597 0.00233923 0.00216052 65
19440 112 C 21.6324 37.0107 89.0273 -0.000236431 -0.00232546 0.00132819 65
19441 113 C 21.1381 37.7132 90.3485 0.00202816 0.00199239 -0.00439344 65
19442 114 C 21.6051 36.8969 91.5818 0.00175778 0.000698577 0.000383032 65
19443 115 C 20.9684 37.3954 92.891 -2.09146e-06 -0.000474979 -0.0025169 65
19444 116 C 21.5572 36.6921 94.1217 -0.00352262 0.00186073 -0.000376596 65
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19446 118 C 20.1109 29.0153 83.1413 -0.00449744 -0.0017944 -0.00271507 65
19447 119 C 20.3217 29.2197 84.6863 0.000349555 -0.000691366 0.00529301 65
19448 120 C 20.6438 27.9258 85.4403 0.00313705 0.00110667 0.00242199 65
19449 121 C 20.8682 28.108 86.9783 -0.0012615 0.000251601 0.00445955 65
19450 122 C 19.6028 28.5027 87.7511 0.000428859 -0.00264365 -0.00259761 65
19451 123 C 19.4943 27.9179 89.1874 -0.000822741 0.000190714 -0.0039951 65
19452 124 C 20.4168 28.4576 90.2409 0.00067178 0.00388755 -0.000743548 65
19453 125 C 20.1251 27.7078 91.5277 0.0026864 0.00299752 -0.00215254 65
19454 126 C 20.8625 28.2474 92.7579 0.00297274 -0.000735985 0.00167595 65
19455 127 C 20.3846 27.5512 94.0159 0.00114788 0.00282467 -0.00102133 65
19456 128 C 21.1223 28.0095 95.2763 -0.00123789 0.00228501 -0.00441058 65
19457 129 C 20.7471 27.0317 96.4255 -0.00173372 -0.00385108 0.00140622 65
19458 130 F 18.5969 28.5764 74.3608 0.00161744 0.000338455 0.00153093 65
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19471 143 H 13.7281 24.9795 65.4083 -0.00476492 -0.00115704 -0.000997572 65
19472 144 H 14.7059 27.1614 68.9199 0.00782052 0.010381 0.000135251 65
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19477 149 H 13.6837 33.2065 64.7953 0.00955142 -0.016339 -0.0157037 65
19478 150 H 16.1179 29.1457 63.9364 0.0015188 -0.00681897 0.00113405 65
19479 151 H 14.6753 31.678 68.6993 -0.00982527 0.00550139 -0.000584504 65
19480 152 H 18.18 32.3845 81.5484 -0.00537245 0.019522 -0.00387442 65
19481 153 H 17.5278 30.739 63.0209 0.00601829 0.00589884 0.00618105 65
19482 154 H 19.2908 30.8333 62.5466 0.000451674 0.0058524 -0.00582912 65
19483 155 H 18.8613 28.7352 61.1534 0.0053512 -0.00199601 0.00797781 65
19484 156 H 18.2509 30.3076 60.6077 0.00965027 0.0139772 0.009592 65
19485 157 H 16.0257 29.8292 61.2837 -0.00529599 -0.00123908 0.000429332 65
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19487 159 H 15.3945 27.9303 59.9078 -0.00211329 -0.00603658 0.00317232 65
19488 160 H 17.0482 27.2795 59.9722 -0.00158511 -0.00201303 -0.00775146 65
19489 161 H 17.9052 29.1998 58.6818 0.00604205 0.000782934 0.00409716 65
19490 162 H 16.2722 29.8894 58.6517 0.00199367 -0.00390303 0.0120791 65
19491 163 H 15.4079 27.888 57.401 -0.00239223 5.89026e-05 -0.0148146 65
19492 164 H 17.0361 27.18 57.4817 -0.00378093 0.000447211 -0.00626948 65
19493 165 H 17.7823 29.3233 56.1081 0.00373203 -0.0122231 -0.00446364 65
19494 166 H 16.1446 29.832 56.2226 -0.00886452 -0.00966136 0.00645759 65
19495 167 H 15.4301 27.7925 54.8156 -0.00094635 -0.0033937 -0.00349586 65
19496 168 H 17.1464 27.3851 54.7469 0.0202396 0.0142586 0.0106706 65
19497 169 H 17.6257 29.4472 53.5241 -0.00303299 -0.0060734 -0.00521685 65
19498 170 H 16.0091 30.0456 53.7189 -0.0075323 -0.00396114 0.000165151 65
19499 171 H 15.1332 28.0324 52.4547 -0.00222543 0.00218126 -0.0089376 65
19500 172 H 16.8199 27.5151 52.1973 -0.00420335 -0.00690353 -0.000913019 65
19501 173 H 17.2865 29.5933 50.8992 -0.00407773 0.011246 -0.00733001 65
19502 174 H 15.66 30.2092 51.1632 -0.00568592 -0.00349041 0.00445346 65
19503 175 H 15.951 29.1433 48.8861 0.000741159 -0.00127381 -0.000360577 65
19504 176 H 14.6169 28.4385 49.8614 0.00041369 -0.0118006 -0.000348135 65
19505 177 H 16.1578 27.594 49.6458 0.00354132 0.00811319 -0.0124035 65
19506 178 H 17.0197 26.1647 63.4077 -0.00164416 -0.00549408 0.0128984 65
19507 179 H 16.0234 24.8043 64.015 0.0161779 -0.00359568 4.29413e-05 65
19508 180 H 14.791 24.7104 61.8861 0.00967025 -0.00432468 0.00333165 65
19509 181 H 15.7549 26.0563 61.2587 0.0108321 0.00125842 0.00285665 65
19510 182 H 17.8008 24.5312 61.4145 0.0020307 -0.000644078 -0.00710605 65
19511 183 H 16.7316 23.2593 62.0263 -0.00619964 0.00237212 0.00156459 65
19512 184 H 17.3401 22.9148 59.67 -0.00122003 -0.000975507 -0.00682419 65
19513 185 H 15.6063 23.0317 59.971 0.0028362 0.00126503 0.0130489 65
19514 186 H 15.6298 25.3747 58.979 -0.0045962 -0.0029612 -0.00246394 65
19515 187 H 17.34 25.1756 58.6372 0.00615469 -0.0161677 -0.00173939 65
19516 188 H 16.6648 23.0093 57.316 0.00965705 0.00267703 0.00819519 65
19517 189 H 15.0565 23.4863 57.5948 0.00153761 0.00110154 0.00240146 65
19518 190 H 15.5439 25.6528 56.3157 -0.00444981 -0.00338981 0.0190892 65
19519 191 H 17.1932 25.1895 56.2268 -0.00455276 0.00629803 -0.00995498 65
19520 192 H 16.4726 23.0486 54.8409 -0.00328296 0.00192211 0.00791368 65
19521 193 H 14.8564 23.6587 54.9405 0.00479355 -0.00658871 0.00845164 65
19522 194 H 15.4356 25.6543 53.5973 -0.00860395 -0.0102687 -0.0150176 65
19523 195 H 17.1329 25.3839 53.7326 0.0019711 -0.0040772 -0.00540039 65
19524 196 H 16.9277 23.2689 52.4119 0.00664493 0.00801843 -0.000104297 65
19525 197 H 15.1879 23.5247 52.2589 -6.66142e-05 -0.00368761 0.00150276 65
19526 198 H 15.4621 25.4703 50.8898 -0.00785503 -0.0137139 -0.00210483 65
19527 199 H 17.2538 25.5297 51.2465 0.00717403 -0.00407047 -0.00036481 65
19528 200 H 16.3381 24.6612 48.9758 0.00862654 0.00291909 -0.00212164 65
19529 201 H 17.713 23.8045 49.8048 0.00385317 0.00396457 -0.0109873 65
19530 202 H 16.0534 23.1375 49.871 0.0030786 -0.00163462 0.00580402 65
19531 203 H 12.7635 30.6372 63.7174 -0.00516031 0.0128406 -0.00119923 65
19532 204 H 12.9358 32.1312 62.7913 -0.00424914 -0.00408031 -0.0122195 65
19533 205 H 14.0793 29.4653 61.8455 -0.00336229 -0.00100896 -0.0017719 65
19534 206 H 12.3946 29.58 61.7263 -0.00163093 0.000563668 0.000542435 65
19535 207 H 12.6041 31.7695 60.3921 -0.0128213 -0.0154184 0.0115829 65
19536 208 H 14.367 31.4622 60.3372 0.00391293 0.0118762 0.00463965 65
19537 209 H 13.9924 29.5025 58.919 -0.00689214 -0.0121946 -0.00404967 65
19538 210 H 12.2711 29.563 59.3439 0.00816825 -0.00197427 0.00018519 65
19539 211 H 11.9008 31.5612 58.0416 -0.000387872 -0.00295673 0.0166411 65
19540 212 H 13.6842 31.8251 57.9507 -0.000938298 0.00125661 0.00918975 65
19541 213 H 13.8533 29.7467 56.4777 0.00428011 0.0150713 -0.0122118 65
19542 214 H 12.1492 29.4331 56.7478 0.00333229 -0.00570144 0.0340859 65
19543 215 H 11.6037 31.5703 55.548 0.00396144 0.00729953 -0.00414845 65
19544 216 H 13.3163 31.9504 55.4615 -0.000286784 0.00287754 0.00607538 65
19545 217 H 13.6742 29.8759 53.9777 -0.00335485 0.000378725 0.000266834 65
19546 218 H 11.9691 29.5781 54.0323 0.00516951 -0.00636708 0.00890286 65
19547 219 H 11.5629 31.8693 52.9573 -0.00362584 -0.00368238 -0.0104484 65
19548 220 H 13.3049 32.1448 53.0496 -0.00499155 0.00560999 0.0121488 65
19549 221 H 13.5729 30.0497 51.5648 0.00674626 0.00954745 0.00707475 65
19550 222 H 11.8311 29.904 51.4964 0.00106606 -0.00376322 0.0177794 65
19551 223 H 11.6754 32.1675 50.3915 -0.007278 -0.0042999 0.000182317 65
19552 224 H 13.4921 32.3036 50.4195 0.00786162 -0.010854 0.00056268 65
19553 225 H 13.597 30.3383 48.8432 -0.00663269 -0.00983093 -0.00107546 65
19554 226 H 11.8137 30.1577 49.0446 -0.0173033 0.0171889 0.0135134 65
19555 227 H 12.5366 31.5188 48.2152 -0.00101611 -0.0171819 -0.0139036 65
19556 228 H 13.806 33.8543 82.1647 -0.00216045 0.00100469 0.00470844 65
19557 229 H 13.3525 32.1701 81.9048 0.00219671 0.00495273 -0.00958693 65
19558 230 H 14.4859 31.4607 84.0063 0.0144844 0.00378092 -0.00459051 65
19559 231 H 14.7944 33.0885 84.4726 -0.0166755 0.019502 -0.00160299 65
19560 232 H 12.2613 33.5631 84.4086 -0.00221729 0.000889957 0.0216206 65
19561 233 H 12.023 31.9411 83.8296 0.00435846 -0.00901126 -0.00465625 65
19562 234 H 11.6262 32.03 86.2429 0.00324423 0.000717035 0.00034205 65
19563 235 H 13.1295 31.0992 86.0581 -0.00805077 -0.00468598 0.00795907 65
19564 236 H 14.4987 32.8377 86.7931 -0.00161097 0.000336881 -0.0127306 65
19565 237 H 13.2456 34.0764 86.5884 0.0109299 0.00356408 -0.000814263 65
19566 238 H 11.9444 33.0327 88.4599 -0.00463962 -0.00292871 0.00244609 65
19567 239 H 12.8999 31.5928 88.4039 -0.0125453 0.00119174 -0.00550022 65
19568 240 H 14.8485 33.1614 89.339 0.00254443 0.00871344 0.0179246 65
19569 241 H 13.6302 34.4167 89.5044 -0.00269282 0.000862554 0.00955394 65
19570 242 H 12.2643 32.9945 90.9482 0.00201486 0.00112139 0.00940156 65
19571 243 H 13.366 31.6194 90.7181 -0.0192382 -0.00627667 0.00472189 65
19572 244 H 15.1719 32.9883 91.764 -0.00223931 -0.00126822 -0.00758829 65
19573 245 H 13.9157 34.2588 92.0979 -0.0109067 -0.00502122 0.0133677 65
19574 246 H 12.6437 32.4958 93.358 -5.87147e-05 0.021507 0.00956063 65
19575 247 H 13.9734 31.4269 93.1284 0.00290625 -0.000890757 0.0108591 65
19576 248 H 15.5655 32.9092 94.3805 -0.00233927 -0.00353819 -0.00873212 65
19577 249 H 14.3219 34.1254 94.5815 -0.00757012 -0.00161092 -0.00204822 65
19578 250 H 14.4802 31.2606 95.6395 -0.00519083 0.00267957 -0.0134476 65
19579 251 H 14.4573 32.7941 96.5793 0.0133562 0.0097381 -0.00533861 65
19580 252 H 13.0005 32.1755 95.7018 -0.000774423 -0.0060223 0.00722318 65
19581 253 H 21.1079 36.1976 81.5163 0.0112675 0.00104674 0.0116896 65
19582 254 H 19.4234 36.7491 81.689 -0.0119922 -0.00439821 0.00856721 65
19583 255 H 19.3564 36.04 84.008 -0.0115538 0.000608048 -0.0167675 65
19584 256 H 20.9515 35.2233 83.83 0.000150116 -0.00443038 -0.0201372 65
19585 257 H 22.16 37.306 83.7124 -0.000243826 0.0024116 -0.00105737 65
19586 258 H 20.7651 38.1201 83.1251 -0.0114893 -0.00947758 -0.00679808 65
19587 259 H 21.1341 38.8678 85.3553 0.0052416 -0.00530028 0.00741784 65
19588 260 H 19.7185 37.778 85.4234 -0.000982902 -0.00489161 0.000608011 65
19589 261 H 20.982 35.9992 86.4452 -0.0144284 0.00765604 -0.00496979 65
19590 262 H 22.5001 36.9011 86.3171 -1.48591e-05 -0.00684753 -0.00752465 65
19591 263 H 21.4902 38.7062 87.8621 0.00922483 -0.00151749 0.00324364 65
19592 264 H 19.9942 37.7382 87.8721 -0.00167334 -0.00944219 -0.00886262 65
19593 265 H 21.277 35.974 89.0766 -0.00806775 0.000451361 0.00335355 65
19594 266 H 22.728 36.9623 88.9993 -0.00038682 -0.0027871 -0.00362671 65
19595 267 H 21.5299 38.7366 90.3996 -0.00314881 0.00377219 -0.000407641 65
19596 268 H 20.0456 37.7917 90.4096 0.0034592 0.00780131 0.0140473 65
19597 269 H 21.3011 35.8497 91.4624 -0.0069384 0.00298021 0.00245536 65
19598 270 H 22.6998 36.9113 91.6521 0.000906526 0.00289602 0.0131792 65
19599 271 H 21.0787 38.4762 93.0427 0.00251132 -0.0013031 0.00159327 65
19600 272 H 19.9044 37.137 92.8239 -6.434e-05 -0.000244516 -0.00240856 65
19601 273 H 21.2792 35.6315 94.0863 0.00665021 -0.000325779 -0.0149889 65
19602 274 H 22.651 36.7426 94.0556 -0.00359906 -0.000809066 -0.00370013 65
19603 275 H 21.3824 38.3796 95.5242 -0.0144947 0.000922476 0.0083282 65
19604 276 H 19.9858 37.24 95.5598 0.00345791 0.00934934 0.0127578 65
19605 277 H 21.4942 36.8061 96.3187 0.020022 -0.000703127 -0.00937246 65
19606 278 H 19.3236 28.2657 82.9937 -0.0123315 0.00310751 0.0142616 65
19607 279 H 21.0251 28.5438 82.7601 -0.0121375 -0.00735599 -0.0142043 65
19608 280 H 19.3925 29.5761 85.1479 0.00392105 0.0123894 0.00232717 65
19609 281 H 21.1498 29.9308 84.7957 -0.0059819 0.00887683 -0.00881567 65
19610 282 H 21.588 27.4792 85.1048 0.00484227 -0.00033254 0.00908882 65
19611 283 H 19.9156 27.1215 85.2782 0.0110509 -0.00493836 -0.0032319 65
19612 284 H 21.5919 28.8915 87.2346 0.00969614 -0.0116146 0.00963465 65
19613 285 H 21.1586 27.1091 87.3266 0.00879324 0.00068092 -0.00273895 65
19614 286 H 18.7366 28.0929 87.2172 0.0024271 0.00601114 -0.0124604 65
19615 287 H 19.4715 29.5918 87.7449 -0.00357716 -0.00311972 -0.00166824 65
19616 288 H 19.7028 26.8415 89.1527 0.0084111 0.00191571 -0.0023734 65
19617 289 H 18.4738 28.112 89.5398 -0.000313289 0.00083415 -0.00286967 65
19618 290 H 20.2181 29.5361 90.2658 -0.0121645 0.00127666 0.00892053 65
19619 291 H 21.4272 28.294 89.8463 -0.005317 0.0108145 -0.0190979 65
19620 292 H 20.3351 26.6464 91.3467 -0.0150698 -0.0019999 0.00657157 65
19621 293 H 19.0474 27.8005 91.7103 0.0045746 0.0125167 0.00415986 65
19622 294 H 20.7287 29.333 92.8427 0.0018084 -0.00220044 0.0185205 65
19623 295 H 21.9363 28.0789 92.6098 0.00742314 0.0176233 0.0130688 65
19624 296 H 20.5044 26.4625 93.9549 -0.003566 0.00253812 -0.00504062 65
19625 297 H 19.3024 27.7084 94.1031 0.00233055 0.000494799 0.0176258 65
19626 298 H 20.7744 29.0054 95.5773 -0.000533606 0.00233835 -0.0037703 65
19627 299 H 22.2034 28.113 95.1217 0.00144728 -0.00980004 0.00640443 65
19628 300 H 20.9555 25.9887 96.157 0.0159579 -0.000483831 0.0020394 65
19629 301 H 19.6752 27.1189 96.6419 -0.00314591 -0.0231426 0.00216619 65
19630 302 H 21.3529 27.2332 97.3176 0.0161823 -0.00841026 -0.00970015 65
19631 1 C 23.8208 42.2502 79.033 0.00306364 0.00189474 0.00145628 66
19632 2 C 23.7997 42.1263 77.6234 -0.000811147 -0.00476663 -0.000371397 66
19633 3 C 23.3744 40.9137 77.0632 -0.00132933 0.00317328 -0.00318661 66
19634 4 C 22.8721 39.9114 77.8904 0.00126331 -0.0023882 0.0032242 66
19635 5 C 22.8328 40.0348 79.2861 0.00365285 0.00477351 -0.00207331 66
19636 6 C 23.3507 41.226 79.8696 0.00134846 -0.00556466 -0.000516421 66
19637 7 C 18.3346 38.9689 79.0666 0.00251949 -0.000690231 -0.00202355 66
19638 8 C 18.4089 38.8063 77.6863 -0.000392176 0.00118409 -0.00275715 66
19639 9 C 19.6608 38.6389 77.1037 0.00444766 0.00101734 -0.00213955 66
19640 10 C 20.8348 38.6087 77.9114 0.00109692 0.000202014 0.00282336 66
19641 11 C 20.7461 38.7779 79.3075 0.000987578 -0.00435455 7.53145e-06 66
19642 12 C 19.4732 38.9447 79.9128 0.00315036 0.00222851 0.00226241 66
19643 13 C 24.071 35.5021 79.6583 -0.00160075 -0.00203785 0.00116944 66
19644 14 C 24.1786 35.3979 78.263 0.000427723 0.00169231 -0.000174715 66
19645 15 C 23.5952 36.4086 77.5095 0.00422794 0.00261333 -0.00328443 66
19646 16 C 22.9609 37.4658 78.1571 0.00132567 0.000292363 -2.4842e-05 66
19647 17 C 22.2488 38.5744 77.3881 0.00200606 -0.000446781 0.00041465 66
19648 18 O 23.4442 36.5147 81.761 0.00245621 0.00649043 -0.000630694 66
19649 19 O 19.3312 39.2109 81.2265 -0.000408224 0.003091 0.00650292 66
19650 20 O 23.3881 41.2501 81.2065 -0.000474671 0.00068939 0.00180928 66
19651 21 C 23.4475 36.5491 80.3598 -0.000736686 0.00354117 0.00168538 66
19652 22 C 22.2617 38.3813 75.9454 0.000977556 -0.00372174 0.00285376 66
19653 23 C 22.2534 38.1269 74.7736 2.96883e-05 -0.00196765 0.000421417 66
19654 24 C 21.94 37.7548 73.4184 0.00137027 0.00230162 0.000845392 66
19655 25 C 20.9692 38.4936 72.7227 -0.00471218 -0.0016997 0.00351818 66
19656 26 C 20.4504 38.0174 71.5449 -0.00227303 -0.00164395 0.00675598 66
19657 27 C 20.8838 36.7619 71.0373 0.00297592 0.00277017 -0.00195495 66
19658 28 C 21.9617 36.0712 71.6518 -0.000414819 0.0049417 -0.000147003 66
19659 29 C 22.4667 36.5528 72.8787 7.73981e-05 0.000540191 0.00200695 66
19660 30 C 20.4853 36.3167 69.7435 -0.00253466 0.000938658 -0.00346088 66
19661 31 C 20.218 36.0891 68.5955 -0.00503281 -0.000573946 -0.00263231 66
19662 32 C 17.8094 32.8612 66.7704 0.00204573 0.000694076 -0.00118504 66
19663 33 C 17.8597 32.7336 65.3981 0.00262939 0.00255046 -0.000528433 66
19664 34 C 18.5571 33.6623 64.5969 0.00182114 -0.00261798 0.000544524 66
19665 35 C 19.2025 34.7472 65.2111 -0.0021741 -0.000946005 0.001269 66
19666 36 C 19.2678 34.7997 66.6251 0.000774137 0.000328578 -0.00278476 66
19667 37 C 18.5794 33.8507 67.3968 0.00326941 -0.00181063 0.004217 66
19668 38 C 20.0662 35.9821 67.1638 -0.00302487 0.000469738 6.69764e-05 66
19669 39 C 23.8549 36.089 66.2716 -0.0059109 0.000101399 0.00143899 66
19670 40 C 23.7918 35.92 64.8959 -0.00214654 -0.00242985 0.00357413 66
19671 41 C 22.5104 35.7926 64.2985 0.00012653 0.000904722 0.000501745 66
19672 42 C 21.3695 35.8458 65.0742 0.00355544 -0.00249648 0.00195339 66
19673 43 C 21.4442 35.9054 66.4858 -0.00451672 -0.00211875 0.00405138 66
19674 44 C 22.7091 36.0007 67.0778 0.00348939 0.000106246 -0.00767984 66
19675 45 C 18.3789 39.3746 66.542 0.000925331 0.000191019 -0.00211926 66
19676 46 C 18.4045 39.4211 65.1331 0.00480006 0.000826176 -0.00150042 66
19677 47 C 18.8892 38.3091 64.3776 -0.00147352 0.00387611 -0.0023132 66
19678 48 C 19.3831 37.1966 65.0964 -0.000240323 0.00351794 -0.00132707 66
19679 49 C 19.9397 35.9048 64.4964 -0.000560367 -0.00178606 0.000491492 66
19680 50 C 19.3733 37.1884 66.5203 -3.32909e-05 -0.000196098 0.000237882 66
19681 51 C 18.8546 38.2794 67.2269 0.00304168 0.00166638 -0.000570487 66
19682 52 O 22.4079 35.4705 62.984 -0.00125918 0.00253918 -0.000322529 66
19683 53 O 18.6465 33.3771 63.2329 -0.00159731 -0.00459609 0.00113771 66
19684 54 O 18.9393 38.4029 63.0016 0.00189206 0.000208455 -0.00321167 66
19685 55 C 22.1291 38.8471 80.0112 0.00146817 0.00360281 -0.000932757 66
19686 56 C 22.9042 37.5762 79.5672 -0.00093226 0.0054698 0.00338387 66
19687 57 C 21.9954 34.1291 62.7078 0.0038348 -0.00016184 0.00167746 66
19688 58 C 21.5409 33.9383 61.2874 0.00468154 -0.00146674 -0.00139243 66
19689 59 C 21.3042 35.212 60.5047 0.000596007 0.00060518 0.00195368 66
19690 60 C 21.0302 34.8584 59.036 -0.00139506 0.00242808 -0.000146547 66
19691 61 C 20.7197 36.099 58.183 -0.00056205 -0.000273157 -0.00255611 66
19692 62 C 20.2568 35.7296 56.7514 0.000501764 0.00101438 -0.001244 66
19693 63 C 21.216 34.8166 55.9231 -0.00179887 -0.000615892 -0.000159625 66
19694 64 C 20.8404 34.6818 54.4409 0.00361421 -0.000789609 0.00396293 66
19695 65 C 21.0542 35.9103 53.5792 -0.00240464 -0.000429098 0.00179011 66
19696 66 C 21.1998 35.5979 52.1106 -0.00373524 -0.00193656 0.000301144 66
19697 67 C 19.8366 35.5601 51.4322 0.00022993 0.00165774 -0.000428351 66
19698 68 C 20.0063 35.1645 49.9378 0.00386352 0.00299642 -0.00136417 66
19699 69 F 19.5005 38.7486 70.9031 -0.00351135 -6.54532e-05 0.000939053 66
19700 70 C 17.5638 33.7576 62.4111 0.00165642 0.00367877 -0.000132937 66
19701 71 C 17.7283 33.2128 60.9457 -9.74736e-05 0.00149862 0.000975165 66
19702 72 C 17.4843 34.3407 59.9198 0.00119172 0.00510444 0.00057063 66
19703 73 C 17.4547 33.881 58.4625 0.00033992 -0.00359126 -0.00467758 66
19704 74 C 16.5376 32.7083 58.1311 0.00146667 0.000989671 -0.00105005 66
19705 75 C 15.9046 32.7985 56.7293 -0.00137763 -0.00440935 0.00170643 66
19706 76 C 16.917 32.8108 55.5714 0.000375213 0.000599868 0.000511037 66
19707 77 C 16.1132 32.9205 54.2234 0.0049528 0.00111724 0.00343227 66
19708 78 C 16.9881 32.997 52.9505 -0.000734926 -0.00281225 0.0013685 66
19709 79 C 16.0766 33.155 51.7349 0.00102595 -0.000755687 0.0021203 66
19710 80 C 16.8565 33.0622 50.3852 0.00389124 -0.000720921 -0.00169428 66
19711 81 C 15.8811 33.2508 49.199 0.000169789 -0.00283971 0.00520471 66
19712 82 C 20.2472 38.5414 62.3548 -0.00280829 0.00170191 -0.00291139 66
19713 83 C 20.1365 38.4709 60.8127 -0.00501274 -0.00158421 -0.00207752 66
19714 84 C 20.1101 39.8448 60.145 -0.00479058 0.0029944 -0.00117275 66
19715 85 C 20.8429 39.877 58.8049 -0.0019507 0.00333393 -0.00587003 66
19716 86 C 20.024 39.7453 57.5041 0.000568088 -0.00267292 0.00330896 66
19717 87 C 21.0226 39.3539 56.3684 0.00310508 -0.000908653 -0.00604205 66
19718 88 C 20.3897 39.021 55.0437 0.00156215 -0.00116782 -0.000511365 66
19719 89 C 19.8698 40.232 54.2668 0.00169125 0.000418501 -0.00143726 66
19720 90 C 19.4814 39.8412 52.8118 -0.00204286 0.00494827 -0.00107493 66
19721 91 C 20.7134 39.5462 51.9455 0.000946001 0.00407228 -0.00540119 66
19722 92 C 20.3483 39.4918 50.4489 -0.00223697 -0.00228822 -0.00551549 66
19723 93 C 21.6076 39.1542 49.5915 -0.000913232 0.00121948 -0.00195681 66
19724 94 C 18.048 39.401 81.8643 -0.00152859 -7.80566e-05 0.000127351 66
19725 95 C 18.226 39.0041 83.3015 -0.000147335 -0.00211585 -0.00295265 66
19726 96 C 17.0046 39.3282 84.1911 -0.00503366 0.00425987 0.00310923 66
19727 97 C 17.3893 39.007 85.6203 0.000543816 -0.000549077 -0.00354805 66
19728 98 C 16.449 39.6129 86.7038 0.000337988 0.000182443 0.00821618 66
19729 99 C 16.9392 39.4481 88.1391 0.00228568 0.00401558 0.00318973 66
19730 100 C 16.1905 40.2365 89.2123 -0.00148913 0.000832697 0.000653219 66
19731 101 C 16.5832 39.7781 90.6417 0.00436502 0.00110202 0.000179943 66
19732 102 C 17.9753 40.1945 91.1099 0.00170472 0.00136374 0.00274365 66
19733 103 C 18.2713 39.5522 92.5105 0.00216316 -0.00221933 -0.00547388 66
19734 104 C 17.4959 40.1836 93.695 -0.00152447 -0.00120051 -0.00250763 66
19735 105 C 17.7032 39.5315 95.0765 -0.0040051 -0.00190548 0.00136858 66
19736 106 C 23.6104 42.5267 81.914 -7.23483e-05 -0.00218911 -0.000619721 66
19737 107 C 23.6819 42.1414 83.3968 0.000461545 -0.00393155 -0.00145341 66
19738 108 C 23.9096 43.2662 84.3238 0.00101463 0.00286982 -0.00331142 66
19739 109 C 24.2882 42.781 85.7353 0.000346557 0.00249251 -0.00217616 66
19740 110 C 24.1913 43.844 86.7917 2.452e-05 -0.000933681 -0.000539945 66
19741 111 C 24.9857 43.4152 88.056 0.00375391 0.00102515 -0.000622983 66
19742 112 C 24.4973 44.111 89.3256 -0.000412211 -0.00351895 -0.000207416 66
19743 113 C 25.2129 43.5687 90.5844 -0.000649863 0.000570754 0.00266885 66
19744 114 C 24.7714 44.2416 91.8792 0.00298449 -0.000997823 0.00261113 66
19745 115 C 25.5157 43.6841 93.0718 -0.00165985 0.00112874 0.00320039 66
19746 116 C 24.9611 44.2694 94.3848 -0.000177833 -0.0011695 0.000548039 66
19747 117 C 25.4578 43.5941 95.6983 5.29237e-05 -0.00321737 0.00497443 66
19748 118 C 24.0895 35.443 82.4416 0.000475698 -0.00110858 -0.000914312 66
19749 119 C 24.1293 35.3631 84.0135 0.00336561 0.000534998 -0.000815626 66
19750 120 C 24.8696 34.0834 84.4851 0.00214705 -0.00275339 0.00219218 66
19751 121 C 24.8312 33.6278 85.9548 -0.00272461 -0.00111076 0.00130684 66
19752 122 C 24.6327 34.6446 87.0962 -0.0025096 -0.00296893 0.000149858 66
19753 123 C 25.1097 34.0604 88.4351 -0.00355695 0.00244133 0.000984256 66
19754 124 C 24.7003 34.8537 89.71 9.90609e-05 0.000805763 0.00681516 66
19755 125 C 25.0965 34.0435 90.9554 0.00160874 -0.00190945 0.000241892 66
19756 126 C 24.7023 34.7861 92.229 -0.0012867 0.00427553 0.000601931 66
19757 127 C 25.2335 34.0396 93.4657 -0.00421218 -0.000756071 -0.000356768 66
19758 128 C 24.481 34.4048 94.7477 0.00136579 0.00247311 0.000834544 66
19759 129 C 24.8849 35.7191 95.3472 0.00157663 0.00226304 -0.00161327 66
19760 130 F 20.4039 39.623 73.1932 0.00227467 -0.00548847 0.000465578 66
19761 131 H 24.2356 43.1634 79.4495 0.00282248 -0.000779745 0.00755076 66
19762 132 H 24.191 42.903 76.9731 -0.00228977 0.000294477 0.00479518 66
19763 133 H 23.45 40.7911 75.9868 -0.00336303 0.00620808 -0.0036753 66
19764 134 H 17.3705 39.2093 79.505 -5.03944e-05 -0.00600735 -0.00478555 66
19765 135 H 17.5248 38.9158 77.0653 -0.00554317 0.00347654 0.00497938 66
19766 136 H 19.7207 38.5913 76.0204 -0.0113637 -0.0175074 -0.0021878 66
19767 137 H 24.5275 34.6645 80.1774 -0.00945589 -0.0138673 -0.0109608 66
19768 138 H 24.6906 34.5358 77.8457 0.00520532 0.00206472 0.00487016 66
19769 139 H 23.5492 36.282 76.4319 -0.00475463 -0.00335772 -0.00221662 66
19770 140 H 22.3785 35.2142 71.1311 -0.00606587 -0.00990818 0.0198682 66
19771 141 H 23.2682 36.0054 73.3658 0.000342139 0.000611945 0.0016531 66
19772 142 H 17.272 32.1307 67.3679 -0.000695538 -0.0121385 -0.0193242 66
19773 143 H 17.3849 31.9247 64.8507 -0.00982619 0.00210428 0.0110299 66
19774 144 H 18.6046 33.9363 68.4791 -0.00119882 0.00500405 0.00378792 66
19775 145 H 24.7949 36.2764 66.7822 -0.000157717 -0.00398891 -0.00768332 66
19776 146 H 24.6856 35.993 64.2834 -0.0139302 0.0179806 -0.0112431 66
19777 147 H 22.8173 36.1097 68.1528 0.00344461 0.0117555 -0.00885464 66
19778 148 H 18.0565 40.2264 67.1335 0.00152201 -0.00607626 0.00724598 66
19779 149 H 18.0348 40.3057 64.6229 0.0155513 0.00789504 0.00299076 66
19780 150 H 19.8813 35.9282 63.4012 -0.0231011 -0.00277663 0.00168496 66
19781 151 H 18.8372 38.3333 68.3114 -0.0016731 -0.00505661 -0.000315946 66
19782 152 H 22.049 38.9894 81.096 -0.00347371 -0.00867949 0.000304949 66
19783 153 H 22.8346 33.4649 62.9483 0.00457839 -0.000474226 -0.00179931 66
19784 154 H 21.1618 33.8012 63.3411 0.00572538 0.000839125 0.00468156 66
19785 155 H 20.6232 33.3384 61.2532 0.00566591 -0.00298055 -0.00128229 66
19786 156 H 22.2933 33.3557 60.7416 -0.0056025 0.00062393 -0.0178218 66
19787 157 H 22.2057 35.8363 60.4744 0.00162748 -0.000272568 0.0157848 66
19788 158 H 20.465 35.7546 60.9571 -0.00184266 -0.00511696 0.00429768 66
19789 159 H 20.1868 34.1599 58.9724 0.0121859 -0.0130084 -0.010752 66
19790 160 H 21.8831 34.3 58.6309 -0.00213071 0.00227314 -0.00147996 66
19791 161 H 21.6579 36.6641 58.1195 -0.00243061 0.00273295 -0.00332946 66
19792 162 H 19.9772 36.7229 58.6956 0.00451495 -0.010922 0.0178146 66
19793 163 H 20.1281 36.6842 56.2265 -0.000475624 0.00776008 0.0112496 66
19794 164 H 19.2581 35.2757 56.7532 -0.00405733 0.0110564 0.00151663 66
19795 165 H 21.2231 33.8303 56.4033 -0.0170106 0.00167175 0.00477584 66
19796 166 H 22.2462 35.1884 55.9847 -0.0036143 0.00402051 0.00217795 66
19797 167 H 19.7955 34.3506 54.3973 0.00267512 0.00154291 0.00865959 66
19798 168 H 21.4374 33.86 54.0268 -0.00967217 -0.00753174 -0.00184336 66
19799 169 H 22 36.3856 53.8669 -0.00418159 -0.00184339 0.00993942 66
19800 170 H 20.2092 36.5846 53.7657 0.0034477 0.0112224 -0.0139489 66
19801 171 H 21.6621 34.6108 51.9868 0.00149478 -0.00104553 0.0127814 66
19802 172 H 21.8029 36.3124 51.5368 -0.0108033 0.0113504 0.00948017 66
19803 173 H 19.4102 36.5585 51.5895 -0.00824005 -0.00153276 -0.00321271 66
19804 174 H 19.1697 34.8185 51.889 0.00462688 0.00681067 0.0143065 66
19805 175 H 19.0115 35.1577 49.4755 0.00489942 -0.00236782 -0.00352297 66
19806 176 H 20.427 34.1553 49.8486 0.0215904 0.00930647 0.0108518 66
19807 177 H 20.6892 35.8491 49.4197 -0.00865459 0.0112193 -0.00695458 66
19808 178 H 16.6761 33.293 62.8579 0.0110515 -0.000595369 0.0141087 66
19809 179 H 17.5279 34.8537 62.3864 -0.00048597 0.00360406 -0.000240807 66
19810 180 H 18.6696 32.6661 60.8092 -1.84507e-05 0.00351983 -0.00648549 66
19811 181 H 16.9585 32.4369 60.8524 -0.00348732 0.00483969 0.00117276 66
19812 182 H 16.5105 34.8184 60.0838 -0.00147722 -0.00234086 0.00635457 66
19813 183 H 18.236 35.1266 60.0638 0.0037795 0.00109553 0.00897096 66
19814 184 H 17.2701 34.745 57.8123 0.0100852 0.00488271 0.00378672 66
19815 185 H 18.4834 33.6204 58.1845 -0.000809287 -0.00116768 -0.0111924 66
19816 186 H 17.1357 31.7918 58.206 0.00827394 0.00576628 0.00301558 66
19817 187 H 15.7059 32.6054 58.8391 -0.0107814 0.00549389 -0.0147566 66
19818 188 H 15.309 31.8939 56.5549 -0.0115707 0.00217748 0.00236072 66
19819 189 H 15.1987 33.626 56.5865 -0.00582026 -0.00889579 -0.00245858 66
19820 190 H 17.5464 33.6989 55.708 0.00109702 0.0009537 -0.005169 66
19821 191 H 17.5876 31.9434 55.6039 -0.00856989 -0.00656601 -0.00671526 66
19822 192 H 15.4201 32.0722 54.1651 -0.00696248 0.0107856 0.00479368 66
19823 193 H 15.5648 33.8704 54.2425 9.98476e-05 -0.00183332 0.00990669 66
19824 194 H 17.6661 33.8592 52.9685 -0.00211305 -0.00173721 0.00179852 66
19825 195 H 17.5587 32.0653 52.852 0.000929514 -0.000494352 -0.0109004 66
19826 196 H 15.3329 32.3486 51.74 -0.00497898 0.00479914 0.00250514 66
19827 197 H 15.5777 34.127 51.8335 -0.0132563 -0.00713213 -0.00753486 66
19828 198 H 17.6593 33.8095 50.4077 -0.0029898 0.00674219 -0.0038004 66
19829 199 H 17.2527 32.0455 50.2727 0.0048681 -0.00171906 0.0108471 66
19830 200 H 16.4362 33.3195 48.2553 -0.000966111 -0.0201173 0.00328918 66
19831 201 H 15.2098 32.3854 49.1385 0.00753278 -0.00748859 -0.00988005 66
19832 202 H 15.3113 34.1853 49.2729 -0.00333599 -0.00388421 -0.00853222 66
19833 203 H 20.6998 39.4753 62.7104 0.0182489 -0.0121298 0.00663846 66
19834 204 H 20.904 37.7223 62.6725 0.00239774 0.00707868 0.000207764 66
19835 205 H 21.0255 37.9003 60.5168 -0.00107504 0.00354641 -0.00011745 66
19836 206 H 19.2946 37.8231 60.5387 -0.0170638 0.0123721 0.00204947 66
19837 207 H 19.0763 40.1125 59.8939 -0.00767776 -0.00466748 0.00256991 66
19838 208 H 20.6014 40.6063 60.7631 0.00198433 -0.00898963 0.00819921 66
19839 209 H 21.4936 40.7576 58.7383 -0.00360673 0.00490387 -0.00121693 66
19840 210 H 21.5392 39.0306 58.7559 -0.00250541 0.00268423 -0.00235657 66
19841 211 H 19.208 39.0174 57.5915 -0.000460693 -0.00140882 0.00424423 66
19842 212 H 19.5719 40.7188 57.2775 0.00717608 -0.00116666 -0.00341977 66
19843 213 H 21.7595 40.1513 56.2118 -0.00489433 0.00582118 -0.0094196 66
19844 214 H 21.5894 38.469 56.6833 0.0129385 0.00639253 -0.00319335 66
19845 215 H 21.1016 38.4742 54.4131 0.00976616 -0.0113181 0.0176077 66
19846 216 H 19.529 38.3542 55.1777 0.0020073 -0.00208292 -0.00219569 66
19847 217 H 19.0229 40.6242 54.8432 -0.00182976 0.00440373 -0.00934408 66
19848 218 H 20.5906 41.0563 54.2008 -0.00974845 0.010103 -0.00572821 66
19849 219 H 18.8178 38.9695 52.8687 0.005241 0.000371632 0.0141463 66
19850 220 H 18.9435 40.6524 52.3059 -0.00693615 0.00331838 0.00153291 66
19851 221 H 21.457 40.3262 52.1503 0.0065375 -0.00738153 0.018097 66
19852 222 H 21.1798 38.6075 52.269 0.00492679 0.0133836 0.0159639 66
19853 223 H 19.5132 38.8061 50.2596 -0.00575144 -0.0019455 0.00874527 66
19854 224 H 19.9927 40.4858 50.1506 -0.00287579 -0.00423052 -0.0112223 66
19855 225 H 21.3663 39.1665 48.5214 -0.0161706 -0.00190898 0.00143456 66
19856 226 H 22.434 39.8438 49.8035 0.00124003 -0.00478126 0.00918924 66
19857 227 H 21.9283 38.1325 49.8297 0.0111473 0.00619301 0.00309663 66
19858 228 H 17.7877 40.4659 81.8243 0.0109412 0.00289879 -0.00178025 66
19859 229 H 17.2269 38.7921 81.4663 0.00481451 0.000294334 -0.0134936 66
19860 230 H 18.277 37.9087 83.2712 -0.00765144 -0.0024694 -0.00343159 66
19861 231 H 19.1533 39.42 83.7142 0.00617375 -0.00320889 -0.0160636 66
19862 232 H 16.799 40.3985 84.0661 0.0273388 0.0104464 0.00302524 66
19863 233 H 16.0651 38.8356 83.9116 -0.00210204 0.00134248 -0.00156791 66
19864 234 H 17.4497 37.9291 85.8148 -0.0123109 -0.0029998 -0.013192 66
19865 235 H 18.3844 39.4199 85.827 0.00266493 -0.00470207 -0.00549016 66
19866 236 H 16.3287 40.6954 86.5734 0.016244 0.00112109 0.00132891 66
19867 237 H 15.4904 39.0961 86.5714 0.00706214 -0.0133135 0.012036 66
19868 238 H 16.9541 38.3751 88.3668 0.00975547 0.000966003 -0.0116249 66
19869 239 H 17.9938 39.7435 88.2012 0.00285612 0.00180615 0.00405598 66
19870 240 H 16.3051 41.3156 89.0515 0.00144754 -0.000451886 -0.00589389 66
19871 241 H 15.1231 40.0029 89.1148 0.000509805 -0.00406336 -0.0094337 66
19872 242 H 15.8293 40.1938 91.3215 0.0121696 0.0166466 -0.000644855 66
19873 243 H 16.5653 38.6821 90.6858 0.00565758 0.00103842 -0.000815097 66
19874 244 H 18.7028 39.8699 90.3557 -0.00170875 0.0173635 -0.00745604 66
19875 245 H 18.0254 41.2891 91.1628 -0.000596995 0.00194673 -0.00712212 66
19876 246 H 18.0826 38.4735 92.4465 -0.0124202 0.00126348 -0.0214412 66
19877 247 H 19.3513 39.6793 92.6542 0.000280504 0.00435361 0.00275564 66
19878 248 H 17.8299 41.2262 93.7654 0.00252963 -0.00320064 0.00792372 66
19879 249 H 16.427 40.1676 93.4488 -0.00230206 -1.33328e-06 0.00081005 66
19880 250 H 18.7577 39.3691 95.3315 -0.00491529 -0.00313066 0.00436312 66
19881 251 H 17.2354 40.169 95.8369 -0.0036344 0.00727106 -0.00607919 66
19882 252 H 17.2591 38.5288 95.1053 0.0019069 -0.00448572 0.00297847 66
19883 253 H 24.5614 43.0112 81.6604 0.00319864 -0.0147675 -0.0122824 66
19884 254 H 22.799 43.2458 81.7466 0.00406438 0.00196831 -0.00283193 66
19885 255 H 22.784 41.5903 83.7027 0.0111803 -0.0133195 0.0131243 66
19886 256 H 24.5363 41.457 83.4677 0.00164196 -0.0032575 -0.00904789 66
19887 257 H 24.6548 43.9612 83.9176 0.00337236 0.0147273 0.0213134 66
19888 258 H 22.9525 43.7973 84.3964 0.00194192 0.00404328 0.000409415 66
19889 259 H 23.6127 41.932 85.8972 0.00379016 -0.00247914 -0.0135713 66
19890 260 H 25.293 42.3408 85.7434 0.000278047 0.00243481 0.00298892 66
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19892 262 H 23.143 43.987 87.0817 0.00147791 0.000842212 0.00385577 66
19893 263 H 24.8689 42.3329 88.191 -0.00249183 0.00175211 -0.000176657 66
19894 264 H 26.0427 43.6319 87.8576 0.00481871 -0.0164465 -0.0140864 66
19895 265 H 24.5406 45.203 89.2297 -0.00258748 -0.00440822 -0.0113807 66
19896 266 H 23.4316 43.8767 89.4388 0.000502248 -0.010334 -0.00568136 66
19897 267 H 25.0596 42.4828 90.6111 -0.00786936 0.00193774 0.0156661 66
19898 268 H 26.2981 43.6846 90.4734 -0.00203584 -0.00351283 -0.0151703 66
19899 269 H 24.9386 45.3207 91.774 0.00154206 -0.00163503 -0.00629577 66
19900 270 H 23.7015 44.084 92.0631 0.00343068 0.000376291 0.0064079 66
19901 271 H 25.3797 42.5992 93.161 -0.00782218 0.00174334 0.00127293 66
19902 272 H 26.5771 43.9379 92.9603 0.00547357 -0.0286561 0.00360505 66
19903 273 H 25.297 45.3137 94.3983 -0.0115061 0.00231004 0.011202 66
19904 274 H 23.8662 44.2058 94.3628 -0.000299589 -0.000463701 0.00453333 66
19905 275 H 24.8868 43.939 96.5692 -0.00500536 -0.00230113 0.00128694 66
19906 276 H 25.3796 42.4999 95.7004 0.00515959 -0.00357743 0.0076808 66
19907 277 H 26.4776 43.944 95.9006 -0.000185554 -0.00172519 0.00360893 66
19908 278 H 23.6171 34.5046 82.1258 -0.0178104 0.00473077 0.00903389 66
19909 279 H 25.143 35.4393 82.1357 0.00180618 -0.0100186 0.00375119 66
19910 280 H 23.1804 35.3995 84.5628 0.0053524 0.0049234 0.00233661 66
19911 281 H 24.7087 36.2147 84.3909 0.00639959 -0.00774035 0.0131832 66
19912 282 H 25.9053 34.148 84.1295 0.00131947 0.0213062 0.00420161 66
19913 283 H 24.5981 33.1976 83.8977 -0.00555608 0.00323618 -0.00325046 66
19914 284 H 25.7873 33.1209 86.1344 -0.000866646 -0.00438627 -0.0178605 66
19915 285 H 24.0836 32.8357 86.0857 -0.012084 0.00575937 -0.0106443 66
19916 286 H 23.5581 34.8571 87.1553 -0.000880059 0.00241234 0.0102931 66
19917 287 H 25.1899 35.5787 86.9536 -0.00588146 0.000495582 0.00956617 66
19918 288 H 26.2035 33.9838 88.4041 -0.00324332 0.00702318 0.000551199 66
19919 289 H 24.6698 33.0561 88.4721 0.0176879 -0.0070551 -0.00470207 66
19920 290 H 23.6074 34.9443 89.734 -0.000774073 -0.00642812 -0.00536436 66
19921 291 H 25.1554 35.8516 89.7365 0.00635016 -0.00191936 0.00207927 66
19922 292 H 26.1907 33.9755 90.9165 0.0013948 -0.00206831 -0.00564481 66
19923 293 H 24.7194 33.0134 90.9397 -0.0135558 0.00355711 0.00709844 66
19924 294 H 23.6084 34.8102 92.3074 -0.000638271 0.00508832 0.00952051 66
19925 295 H 25.1248 35.7984 92.2376 -0.0058268 0.00608097 0.0111458 66
19926 296 H 26.3007 34.2662 93.5805 -0.00503915 0.00492375 -0.00379294 66
19927 297 H 25.0892 32.9593 93.3411 0.0015591 -0.00172277 0.00136983 66
19928 298 H 24.7009 33.6355 95.4981 -0.00238887 -0.00461791 -0.00533853 66
19929 299 H 23.3958 34.4199 94.5874 0.000784422 0.0197423 0.00631067 66
19930 300 H 24.1134 35.984 96.0807 0.00573513 0.0016957 0.0029553 66
19931 301 H 24.8685 36.5269 94.6051 -0.00437401 0.00396122 0.000354407 66
19932 302 H 25.8598 35.6978 95.8496 -0.00563022 -0.00566348 0.0120223 66
19933 1 C 28.1461 35.4037 80.104 0.00336487 -0.00183629 -0.0013933 67
19934 2 C 27.9889 35.3321 78.7291 0.0068888 -0.000256908 0.00514067 67
19935 3 C 27.2653 34.2631 78.1767 0.00167552 0.00345982 5.29408e-05 67
19936 4 C 26.7182 33.2843 79.0064 -0.00157625 0.00323807 -0.00573752 67
19937 5 C 26.7484 33.4295 80.4586 0.00284049 -0.00197864 0.00379853 67
19938 6 C 27.461 34.537 81.0133 -0.00329206 0.000298714 0.000133443 67
19939 7 C 22.1586 32.1157 80.2242 -0.000559148 -0.000872627 0.000745197 67
19940 8 C 22.2442 31.976 78.8653 0.000590549 0.00156875 0.000250629 67
19941 9 C 23.4662 31.9571 78.2434 0.00153243 0.00256641 0.00124293 67
19942 10 C 24.6277 32.0915 79.0363 0.000112316 -0.00116487 -0.000377536 67
19943 11 C 24.5474 32.1927 80.4834 -0.00380121 -0.000528618 -0.0044313 67
19944 12 C 23.2723 32.1865 81.0783 -0.00378122 0.00364745 -0.000264528 67
19945 13 C 27.9253 28.8553 80.7711 -0.00545474 0.000124005 2.44138e-06 67
19946 14 C 27.8735 28.73 79.3875 -0.0016463 -0.00280401 8.41629e-05 67
19947 15 C 27.3032 29.7638 78.6191 0.00207926 0.00124599 0.00140847 67
19948 16 C 26.7299 30.8874 79.24 0.00309808 -0.000818456 -0.00520642 67
19949 17 C 26.0555 32.0269 78.4833 -0.00356388 8.00286e-05 -0.00166134 67
19950 18 O 27.4801 30.1049 82.7633 -0.000214638 -1.4199e-05 -0.00296973 67
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19952 20 O 27.4944 34.8298 82.3478 -0.000397523 0.0016259 -0.000400609 67
19953 21 C 27.35 29.9834 81.4071 -0.00525905 -0.00346305 -0.0042951 67
19954 22 C 26.1073 31.9226 76.9962 -0.00235897 -0.000677549 0.000991463 67
19955 23 C 25.8415 31.6798 75.8512 -0.000495663 -0.0011971 0.00682793 67
19956 24 C 25.3629 31.269 74.6124 -0.00111061 -0.00207289 -0.000411112 67
19957 25 C 24.6193 32.1866 73.8252 0.000942445 0.00240243 0.00326678 67
19958 26 C 24.1292 31.704 72.5748 -0.002612 -0.00146941 0.00159319 67
19959 27 C 24.4225 30.3567 72.2108 -0.00290859 0.00149498 -0.000584806 67
19960 28 C 25.0902 29.4699 73.0458 0.00151695 -0.00102782 0.00271403 67
19961 29 C 25.6051 29.9436 74.2494 0.00405337 0.002936 -0.00174793 67
19962 30 C 24.1032 29.9061 70.881 -0.00680748 0.000565757 -0.00527931 67
19963 31 C 23.9523 29.5607 69.7282 -0.00206063 0.00105307 -0.00314979 67
19964 32 C 22.2079 25.9802 67.8819 -0.000846188 0.00522563 -0.000245081 67
19965 33 C 22.2038 25.8658 66.4697 -0.00242282 0.00348673 0.00479154 67
19966 34 C 22.8159 26.8752 65.7069 -0.000733983 0.00186344 -0.000952701 67
19967 35 C 23.3819 27.9788 66.3624 -9.9602e-05 0.000372952 0.00265665 67
19968 36 C 23.3561 28.0635 67.7791 0.00042709 0.00442595 -0.00135659 67
19969 37 C 22.7567 27.0549 68.5381 0.00481512 0.0016625 0.000649098 67
19970 38 C 23.9479 29.3745 68.3118 0.00226912 0.00145329 6.32e-05 67
19971 39 C 27.8153 29.5498 67.7447 0.00176353 0.00347791 0.00128436 67
19972 40 C 27.7854 29.6269 66.342 0.00136787 -0.004374 -0.0019499 67
19973 41 C 26.5918 29.4862 65.6059 0.00107623 -0.00197172 -0.00272852 67
19974 42 C 25.3959 29.3094 66.3277 0.00160038 0.00158578 -0.000729129 67
19975 43 C 25.3648 29.4196 67.7328 0.000770917 0.000577388 -0.00185504 67
19976 44 C 26.5913 29.5382 68.432 0.00490933 -0.00403348 0.00335379 67
19977 45 C 21.7358 32.4517 67.3116 0.00364706 0.00506972 0.000165374 67
19978 46 C 21.8299 32.3127 65.9218 -0.00157361 -0.00535246 0.00162981 67
19979 47 C 22.58 31.3012 65.3176 0.00351293 0.00349045 -0.00222077 67
19980 48 C 23.2332 30.3679 66.124 0.00631158 0.00280423 0.00516959 67
19981 49 C 24.0596 29.1567 65.6342 0.00178836 -0.000633954 -0.00235943 67
19982 50 C 23.1637 30.4691 67.5305 0.00417188 -0.00107368 -0.000473255 67
19983 51 C 22.4165 31.5343 68.1279 -0.00135421 -0.00114543 -0.00255841 67
19984 52 O 26.6209 29.7585 64.2523 -0.00328554 -0.00117209 -0.00193843 67
19985 53 O 22.868 26.8055 64.3334 -0.00417964 -0.0010338 0.00161702 67
19986 54 O 22.7301 31.3146 63.9126 -0.00217846 -0.000215085 0.00364412 67
19987 55 C 25.9687 32.2683 81.1687 -0.00179919 0.00452351 0.00136823 67
19988 56 C 26.6951 31.0025 80.6522 -0.00100715 -0.0035885 -0.00363523 67
19989 57 C 26.4902 28.7678 63.2359 0.00159358 -0.00396513 0.00600565 67
19990 58 C 25.974 29.5084 61.9952 -0.00286961 0.00293525 -0.00169051 67
19991 59 C 25.7369 28.6866 60.7735 0.00355342 0.00169614 -0.000162954 67
19992 60 C 25.5598 29.535 59.5067 0.000275003 0.00409976 -0.00209333 67
19993 61 C 25.2111 28.6546 58.2752 -0.00386407 -0.000694979 0.00392182 67
19994 62 C 25.055 29.4944 57.0141 -0.00261891 -0.00083087 0.00370176 67
19995 63 C 25.0614 28.6357 55.75 -0.00225996 -8.90763e-05 0.00109921 67
19996 64 C 24.7559 29.4729 54.5314 -0.00134977 0.0002032 0.00184277 67
19997 65 C 25.1979 28.8248 53.1827 -0.00383577 0.00244987 0.000858959 67
19998 66 C 24.0108 28.2246 52.3835 -0.00193937 -0.00162133 -0.00253259 67
19999 67 C 24.365 27.9437 50.8935 -0.00127458 -0.00228505 -0.00177529 67
20000 68 C 24.0314 29.1947 50.0553 0.00355598 0.00123013 0.00219888 67
20001 69 F 23.4633 32.541 71.7495 -0.000532651 0.0022105 0.000206292 67
20002 70 C 23.2871 25.6227 63.6816 0.000978481 0.00482 -0.00290499 67
20003 71 C 23.8518 26.0325 62.3318 0.00142543 -0.00023634 -0.000232948 67
20004 72 C 24.1946 24.8813 61.3722 0.00085202 -0.000583372 0.00049104 67
20005 73 C 23.9957 25.162 59.8743 -0.00243779 0.00410269 0.00133116 67
20006 74 C 24.4661 24.0693 58.9541 0.00392665 0.00153364 0.00284983 67
20007 75 C 25.0402 24.5281 57.6207 0.000629453 -0.000631519 0.000762155 67
20008 76 C 23.996 24.76 56.4929 -0.00269351 0.000813499 -0.00011162 67
20009 77 C 24.7138 24.8752 55.1601 -0.000944838 0.00513726 -0.000269576 67
20010 78 C 23.8386 24.6913 53.933 0.00215912 -0.000778732 0.00442349 67
20011 79 C 24.6037 24.5005 52.6436 -0.00166764 0.000574912 0.00405281 67
20012 80 C 23.6969 24.1848 51.4294 -0.00258809 -0.00217538 -0.00158862 67
20013 81 C 24.4751 23.8555 50.1352 -0.000180303 4.5557e-05 -0.00384124 67
20014 82 C 22.1405 30.2745 63.1279 -0.00163347 0.00407568 -4.15448e-06 67
20015 83 C 22.2128 30.6862 61.6098 0.000869289 -0.000677256 0.00477483 67
20016 84 C 21.9538 29.5966 60.5673 8.15166e-05 0.000369389 -0.000753043 67
20017 85 C 21.9505 30.0147 59.0619 -0.00252852 0.00270317 0.000909695 67
20018 86 C 20.8537 31.0524 58.7606 0.000131294 -0.00294414 -0.00301664 67
20019 87 C 20.144 30.8698 57.3973 0.00344578 -0.00178738 -0.00423769 67
20020 88 C 21.0361 30.7891 56.176 -0.000457723 0.00247315 -0.000346742 67
20021 89 C 20.2902 31.1937 54.844 -0.00137152 0.000212281 0.00160119 67
20022 90 C 21.2605 31.1741 53.6704 0.00324719 -0.00204692 0.00309354 67
20023 91 C 20.869 31.6472 52.2563 -0.00276953 0.00331478 -0.00198401 67
20024 92 C 20.0351 30.6308 51.4461 -0.00102823 0.000735936 0.000114257 67
20025 93 C 19.9172 31.0795 49.9776 0.000680802 -0.000234403 -0.00183134 67
20026 94 C 21.8289 32.7454 82.9446 0.00205564 -0.00123245 0.00217016 67
20027 95 C 21.8336 32.7395 84.477 0.00160953 0.00159984 -0.000802903 67
20028 96 C 20.4148 32.8978 85.1268 -0.00241963 -0.00510449 6.23257e-05 67
20029 97 C 20.3116 32.3882 86.5857 0.00277974 0.000926218 -0.0017126 67
20030 98 C 21.2848 32.8953 87.6516 -0.00130385 -0.00323529 -0.0049757 67
20031 99 C 20.8356 32.4028 89.0172 6.99649e-05 -0.00197341 -0.00157424 67
20032 100 C 21.6338 32.8841 90.2446 0.00156577 -0.000389686 0.000639471 67
20033 101 C 21.0617 32.2147 91.569 0.00171782 0.00593578 0.00215337 67
20034 102 C 21.5783 32.7284 92.9199 0.00163965 -0.00321477 -0.00133846 67
20035 103 C 20.668 32.2963 94.1324 0.00304961 -0.000553432 0.00206823 67
20036 104 C 21.1402 32.7007 95.5476 -0.000668713 -0.00140391 0.00520306 67
20037 105 C 22.3154 31.8522 96.0593 -0.000976374 0.00104692 -0.00226604 67
20038 106 C 28.3324 35.8752 82.9374 0.0026882 0.000100866 -0.00107253 67
20039 107 C 27.7759 36.3978 84.3085 -0.00248132 0.00105767 0.00276305 67
20040 108 C 28.7989 36.652 85.4123 0.00500622 -0.000721746 -0.00433212 67
20041 109 C 28.1228 37.0065 86.7464 -0.00109391 0.00285465 0.00132078 67
20042 110 C 29.0785 36.8758 87.9709 0.00346386 -0.0052537 -0.000373594 67
20043 111 C 28.2461 36.6651 89.2467 -0.0043426 -0.00257686 -0.000535004 67
20044 112 C 29.053 36.6935 90.5282 -0.00289555 -0.00133812 0.00173399 67
20045 113 C 28.1517 36.5498 91.747 -0.00465113 -0.00383731 0.00108671 67
20046 114 C 28.8694 36.8243 93.0874 -0.00247435 0.00120763 0.00298439 67
20047 115 C 28.0529 36.7378 94.3516 -0.000110449 0.00171492 1.77143e-05 67
20048 116 C 28.8479 37.184 95.5936 -0.00518937 0.00174328 -0.00470547 67
20049 117 C 27.9627 37.257 96.8415 -0.00122393 0.000923414 0.00599899 67
20050 118 C 27.6631 28.9323 83.5921 0.00225538 -0.000666424 -0.000137964 67
20051 119 C 27.9761 29.4674 85.0174 -0.00146747 -0.000132552 -0.000218092 67
20052 120 C 28.1973 28.328 86.0406 0.000954441 0.00446903 -0.00470959 67
20053 121 C 28.4794 28.7848 87.5211 -0.00308181 0.00163003 0.00401458 67
20054 122 C 28.6853 27.5739 88.4453 -0.00745493 -0.000794864 -0.00112572 67
20055 123 C 28.7684 28.0332 89.9524 -0.00261314 -0.0027209 -0.00509273 67
20056 124 C 29.2125 26.8301 90.7813 -0.000439382 -0.00250883 0.00283848 67
20057 125 C 29.0766 26.8581 92.3399 -0.00187944 -0.000789286 -0.00675621 67
20058 126 C 29.03 28.1812 93.0952 -0.00077894 -0.0023692 -0.00132619 67
20059 127 C 29.1434 28.001 94.6503 0.00190154 -0.0028699 0.00284119 67
20060 128 C 27.9574 27.2562 95.3568 0.00359568 -0.00197644 0.00265997 67
20061 129 C 28.3101 26.6311 96.7014 0.000892562 0.000749015 -0.000209448 67
20062 130 F 24.4352 33.4607 74.2027 -0.000550321 -0.00236453 -0.00119838 67
20063 131 H 28.7738 36.2265 80.4333 -0.00202531 -0.00153438 0.0081132 67
20064 132 H 28.5212 36.0512 78.1134 0.0134142 -0.00973458 -0.000286285 67
20065 133 H 27.2645 34.195 77.0929 -0.00666032 0.0157796 -0.000714852 67
20066 134 H 21.1655 32.2909 80.6271 -0.00108112 -0.0126429 0.00452804 67
20067 135 H 21.3463 31.9604 78.2545 0.00129535 -0.00228926 -0.000684873 67
20068 136 H 23.4974 31.9079 77.159 -7.73832e-05 0.0144377 0.00065064 67
20069 137 H 28.3924 28.0628 81.3482 0.00942162 0.0155894 0.00923173 67
20070 138 H 28.3309 27.9324 78.8096 -0.0138048 -0.0081017 -0.00222523 67
20071 139 H 27.3047 29.6942 77.5353 -0.0107219 0.011961 0.000686089 67
20072 140 H 25.3361 28.4637 72.7195 -0.00757809 -0.00287657 0.00159382 67
20073 141 H 26.1849 29.3126 74.9166 0.00858181 -0.00821247 -0.0162614 67
20074 142 H 21.7278 25.2247 68.4968 -0.00126562 -0.00288006 -0.0105468 67
20075 143 H 21.692 25.0557 65.9588 -0.005994 0.0108046 -0.00326387 67
20076 144 H 22.5943 27.1746 69.6052 -0.000197448 -0.0137167 0.0016023 67
20077 145 H 28.7278 29.6641 68.3224 -0.000391468 -0.00971328 0.00730393 67
20078 146 H 28.716 29.8538 65.8302 0.00262359 -0.00676468 -0.000724428 67
20079 147 H 26.6309 29.5913 69.516 -0.000355269 0.0042136 0.0031372 67
20080 148 H 21.2297 33.2978 67.7671 -0.0145063 0.000147948 -0.0109348 67
20081 149 H 21.266 32.9916 65.2888 0.00141599 0.0130124 0.0186989 67
20082 150 H 24.1789 29.0193 64.5524 -0.00253907 -0.00274955 -0.00256541 67
20083 151 H 22.3224 31.6002 69.2078 -0.0194985 0.0157696 -0.00518291 67
20084 152 H 25.9702 32.2707 82.2657 -0.00390619 0.00426346 0.00137089 67
20085 153 H 27.4738 28.3275 63.0307 0.000938873 -0.00766126 0.0108155 67
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20539 3 C 34.9486 34.3688 77.88 -0.00476182 0.000938684 -0.00170358 69
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20548 12 C 31.1538 32.2532 81.1624 -0.00318585 -0.00569662 0.00395524 69
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20655 119 C 35.9338 28.8849 84.6218 -0.00100388 -0.0035899 0.00315394 69
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20657 121 C 37.024 27.8219 86.6672 -0.00160593 -0.00365983 -0.00439223 69
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20659 123 C 37.0524 27.6872 89.2019 -0.0040625 -0.00115402 0.000608948 69
20660 124 C 36.2321 27.437 90.5141 -0.00192848 0.0032846 0.00158731 69
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20662 126 C 36.3497 27.4332 93.1016 -3.44999e-05 0.000137914 -0.00158271 69
20663 127 C 37.2789 27.2139 94.3009 -0.00379802 -0.000623145 -0.000142212 69
20664 128 C 36.5523 27.2396 95.705 0.00460942 -0.00084747 -0.00180371 69
20665 129 C 37.5769 27.0692 96.8496 -0.0024847 0.00140369 5.83922e-05 69
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21142 2 C 43.568 35.4893 78.594 0.00260686 -0.000201559 0.0024292 71
21143 3 C 42.9332 34.4919 77.8701 0.00149923 1.22789e-05 0.00418193 71
21144 4 C 42.3383 33.4216 78.5658 -0.00195328 -0.00124751 -0.00324621 71
21145 5 C 42.3043 33.3806 79.9744 0.00314594 0.00257501 -0.00574295 71
21146 6 C 42.9695 34.392 80.7195 0.00274939 0.00273864 -0.00126808 71
21147 7 C 37.7707 32.2398 79.5098 -0.0032924 2.59836e-05 0.00191395 71
21148 8 C 37.8751 32.2298 78.1025 -0.00100661 0.000443146 -0.00122426 71
21149 9 C 39.1406 32.2596 77.5673 -0.000901729 -0.00309092 -0.00102962 71
21150 10 C 40.2842 32.2124 78.3745 -0.00120134 -0.0050659 0.00589396 71
21151 11 C 40.1857 32.2035 79.7797 -0.00709854 0.00367081 -0.00159479 71
21152 12 C 38.8967 32.2452 80.3638 0.00166799 -0.00139071 -0.000142762 71
21153 13 C 43.7005 28.9439 79.7466 -0.00390042 -0.00629818 0.00307346 71
21154 14 C 43.6188 28.9442 78.3418 0.000175316 0.000290937 -2.2296e-05 71
21155 15 C 42.9585 29.9695 77.6809 0.000500652 0.000353551 0.00124713 71
21156 16 C 42.3497 30.9992 78.4501 -0.000396502 0.000773415 -0.00141252 71
21157 17 C 41.7157 32.2307 77.8309 0.000828513 0.00440421 -0.000368859 71
21158 18 O 43.2145 29.8561 81.917 -0.00144235 0.00146315 0.00234942 71
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21160 20 O 43.0337 34.3667 82.0738 0.00205961 0.00071615 0.000869882 71
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21162 22 C 41.7186 32.2404 76.3602 -0.0011382 -0.00239046 0.00201106 71
21163 23 C 41.6073 32.0182 75.1737 -0.00268243 0.000175055 -0.00270887 71
21164 24 C 41.3416 31.6026 73.8468 -0.000743409 -0.000809797 0.00221091 71
21165 25 C 40.8578 32.4935 72.8654 0.00325079 0.00171225 0.00170392 71
21166 26 C 40.4284 31.9993 71.5959 0.00181439 0.00142469 0.00128585 71
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21170 30 C 40.1813 30.0941 70.017 -0.00282316 0.00192394 -0.00367333 71
21171 31 C 39.9395 29.6934 68.9045 -0.00218337 -0.00279755 0.00301105 71
21172 32 C 37.9026 26.0888 67.2675 -0.00382075 -0.00378607 -0.00401232 71
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21179 39 C 43.5435 29.3306 66.6688 0.0034786 5.14109e-05 0.000394329 71
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21181 41 C 42.2268 29.1508 64.6471 -0.000337533 -0.00133263 0.00341993 71
21182 42 C 41.0559 29.2221 65.4136 -0.000239458 -0.00490503 -0.000939718 71
21183 43 C 41.1031 29.3859 66.7905 -0.00549573 0.00145319 0.000644344 71
21184 44 C 42.3641 29.3795 67.4125 -0.000267962 -0.000662302 0.0025614 71
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21191 51 C 38.311 31.6963 67.4064 0.00565288 0.00307408 0.000552298 71
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21199 59 C 41.3229 28.043 59.8519 -0.00183878 0.00297402 0.00122632 71
21200 60 C 41.7456 28.7331 58.5333 -0.00448261 -0.00241139 0.000865732 71
21201 61 C 41.2774 28.0379 57.2569 -0.00296744 -0.00298922 -0.003354 71
21202 62 C 39.8723 28.5665 56.8252 0.00200882 -0.0019329 0.00074176 71
21203 63 C 39.444 28.1249 55.3898 -0.00319188 -0.00115925 0.000119561 71
21204 64 C 40.4218 28.389 54.2412 -0.00738079 -6.57029e-05 -0.000374136 71
21205 65 C 39.8079 27.9498 52.8749 -0.00252987 0.00395635 -0.00260592 71
21206 66 C 40.629 28.3346 51.6191 -0.0037261 0.000861703 0.0017925 71
21207 67 C 39.9482 27.812 50.3198 -0.00124746 -0.000694083 0.00399283 71
21208 68 C 40.6131 28.2276 48.9863 -0.00215466 0.00193057 -0.00143346 71
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21212 72 C 39.5133 24.0879 61.1724 0.00106393 -0.00122595 -0.00823011 71
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21214 74 C 38.9298 24.7565 58.7797 0.000452703 0.0012917 0.00302968 71
21215 75 C 38.7047 24.0458 57.4345 -0.00113371 0.00103549 0.00138498 71
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21220 80 C 40.6054 23.7756 51.2917 0.0027472 0.00204877 0.00145218 71
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21223 83 C 38.8779 30.4773 61.2075 0.0005892 -0.000766082 -0.00236278 71
21224 84 C 38.2017 29.9904 59.9107 -0.000422533 -0.00112404 -0.00171661 71
21225 85 C 37.3762 30.9897 59.0769 0.000430257 0.00406488 0.00217201 71
21226 86 C 36.8848 30.4561 57.7199 -0.000764908 -0.00241606 0.00585189 71
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21684 242 H 40.1143 40.1603 90.5072 -0.0190041 0.00379613 -0.0172562 72
21685 243 H 39.1074 38.6895 90.4465 0.00456365 -0.00648197 0.00275164 72
21686 244 H 40.8873 37.4451 91.7403 -0.012476 -0.00389642 0.000767005 72
21687 245 H 41.7547 38.978 91.867 0.00779473 -0.000771481 -0.0196295 72
21688 246 H 39.9161 40.0726 93.0452 -0.00453554 0.000569762 0.0132099 72
21689 247 H 38.8994 38.6399 92.9024 0.0043217 -0.0119803 -0.00660307 72
21690 248 H 40.5468 37.4075 94.3031 0.0109487 -0.00154909 -0.011474 72
21691 249 H 41.4289 38.9332 94.5735 0.0103048 -0.0143017 -0.0214655 72
21692 250 H 39.3517 39.8739 95.6039 -0.0026011 0.000168516 -0.00813788 72
21693 251 H 38.4396 38.4062 95.205 -0.00787388 0.0029665 0.0108301 72
21694 252 H 39.7107 38.3563 96.4595 0.0037927 -0.0122187 -0.00670572 72
21695 253 H 48.6223 41.5721 82.5434 -0.00538066 0.00169233 0.00964711 72
21696 254 H 48.3252 42.9816 81.4463 0.00380824 -0.00884971 -0.00353109 72
21697 255 H 47.9902 44.0426 83.3118 0.00644706 -0.00194712 -0.00442289 72
21698 256 H 46.3457 43.4669 82.8406 0.000660278 -0.00332866 0.00205849 72
21699 257 H 46.1108 43.0387 85.0819 -0.00162937 -0.00192079 -0.00423806 72
21700 258 H 46.9594 41.5865 84.6925 0.0101539 -0.00180808 0.0176897 72
21701 259 H 48.8008 42.1815 85.9142 0.0167345 0.0122236 0.00802923 72
21702 260 H 48.6744 43.9288 85.4899 -0.0102811 0.00362333 -0.00492267 72
21703 261 H 47.198 44.4045 87.2077 -0.00270431 -0.00122657 0.00899199 72
21704 262 H 46.4781 42.8333 87.2051 -0.0039859 0.000942913 -0.00147357 72
21705 263 H 48.1799 41.7951 88.4574 0.00140982 -0.000939594 -0.0104483 72
21706 264 H 49.3206 43.1413 88.3001 -0.00416238 0.0142764 0.00106529 72
21707 265 H 48.3742 44.5527 89.8045 0.0165159 -0.00103888 -0.0150361 72
21708 266 H 46.773 43.8322 89.7031 0.00191649 0.000256812 0.0119526 72
21709 267 H 47.3522 41.8527 91.0309 0.00674042 -0.00699274 0.00559009 72
21710 268 H 49.0403 42.2079 90.9022 0.00316291 0.0172163 -0.00742387 72
21711 269 H 48.9315 44.2008 92.37 -0.000163736 -0.0024621 0.000764783 72
21712 270 H 47.2242 44.0943 92.4312 0.0016636 -0.00299664 -0.0037841 72
21713 271 H 47.488 41.7034 93.353 0.0031344 -0.00895893 0.00019658 72
21714 272 H 49.2217 42.0457 93.563 0.00261705 0.00628238 0.00392372 72
21715 273 H 47.0284 43.7712 94.893 0.0067648 0.012083 0.0104521 72
21716 274 H 47.7989 42.3675 95.5985 0.00210553 -0.000537796 -0.00214199 72
21717 275 H 50.0587 43.6093 95.3538 0.0050294 0.00584764 0.0158244 72
21718 276 H 49.1387 45.0568 94.7944 -0.00147424 -0.000308045 0.000171315 72
21719 277 H 48.8312 44.3919 96.3775 0.00450643 0.00468157 -0.00149481 72
21720 278 H 45.86 36.5257 83.8514 -0.00147254 0.00309311 0.000265797 72
21721 279 H 45.8769 35.2918 82.5078 -0.0110102 0.00715694 0.00447556 72
21722 280 H 48.5276 36.0726 83.5772 -0.00278458 0.00617412 -0.00318777 72
21723 281 H 47.9032 34.4543 83.0703 0.016381 -0.00340843 0.00635494 72
21724 282 H 46.3983 34.4942 85.1543 0.00102289 0.00159299 0.00324546 72
21725 283 H 47.279 35.8869 85.756 -0.00307396 0.00893099 0.00139512 72
21726 284 H 49.3632 34.8164 85.9328 0.00140464 0.00296784 -0.0130341 72
21727 285 H 48.8169 33.4039 85.0952 0.00766386 0.00769174 -0.00153395 72
21728 286 H 48.9886 32.7242 87.2472 -0.00876244 -0.00808798 -0.00980299 72
21729 287 H 47.2206 33.0545 87.1871 0.000768614 -0.00151009 -0.00466412 72
21730 288 H 47.6718 35.1939 88.3621 -0.00333312 -0.00532508 0.025198 72
21731 289 H 49.4404 34.9822 88.2434 0.0103782 -0.0105115 9.55353e-05 72
21732 290 H 49.4406 33.127 89.6912 -0.00259948 -0.00397433 -0.0264112 72
21733 291 H 47.7421 32.9316 89.7317 0.0025218 0.00218499 0.00618437 72
21734 292 H 47.5379 35.1023 90.9634 0.00472296 0.0161631 0.0122944 72
21735 293 H 49.2391 35.412 90.8035 -0.00582104 0.00982678 -0.00104984 72
21736 294 H 49.7589 33.3865 92.1357 -0.00151971 0.0101334 -0.00173393 72
21737 295 H 47.9758 33.1235 92.3084 -0.00262338 0.00496035 0.00224483 72
21738 296 H 47.6715 35.0936 93.4749 -0.00163958 -0.00109743 -0.00154565 72
21739 297 H 49.3367 35.6597 93.1613 0.00265347 -0.00037955 -0.00673722 72
21740 298 H 50.2204 33.7377 94.471 0.00390415 0.0127366 0.00337746 72
21741 299 H 48.536 33.3911 95.017 0.000598347 0.00338444 0.0162964 72
21742 300 H 48.4907 35.7633 96.0107 0.00110488 0.0133574 -0.0186177 72
21743 301 H 50.1428 35.9823 95.3791 0.00268016 -0.00174356 -0.00361658 72
21744 302 H 49.8162 34.8033 96.6904 -0.00240117 -0.00243989 -0.00285134 72
ITEM: TIMESTEP
107000
ITEM: NUMBER OF ATOMS
21744
ITEM: BOX BOUNDS pp pp pp
0.0000000000000000e+00 4.7073061717199998e+01
0.0000000000000000e+00 4.0766467281007898e+01
0.0000000000000000e+00 9.6958885940000002e+01
ITEM: ATOMS id type element xu yu zu vx vy vz mol
1 1 C 1.62299 6.91186 31.5926 -0.00175437 -0.000609577 -0.000100339 1
2 2 C 1.70083 6.87482 30.2029 0.00109623 -0.00209626 0.00157897 1
3 3 C 1.23937 5.73886 29.5447 -0.00527463 0.00281384 0.00170248 1
4 4 C 0.719153 4.66868 30.3014 0.000124431 0.00266488 -0.00118608 1
5 5 C 0.60197 4.72831 31.7143 -0.00309523 6.83527e-05 -0.0026389 1
6 6 C 1.00442 5.91417 32.3573 -0.00274452 0.00427887 0.000143169 1
7 7 C -3.83957 3.41397 31.0879 -0.00173482 0.00181245 0.00234276 1
8 8 C -3.62464 3.27441 29.7018 0.0013233 -0.000231334 -0.00317999 1
9 9 C -2.3385 3.20191 29.1902 0.004058 0.00110775 0.00611375 1
10 10 C -1.24923 3.24923 30.0731 0.00458317 0.00451593 0.0044851 1
11 11 C -1.43949 3.40595 31.4989 -0.000428814 0.00426787 -0.00345651 1
12 12 C -2.74844 3.50884 31.9991 0.00229218 -0.00105548 0.00132004 1
13 13 C 1.89543 0.111277 31.9758 -0.00177318 0.00229083 -0.00120677 1
14 14 C 2.11601 0.0969801 30.5728 0.00132497 -0.0019849 -0.00359677 1
15 15 C 1.55731 1.15276 29.8114 -0.00066711 -0.000434479 -0.000136857 1
16 16 C 0.867791 2.21707 30.457 0.000773152 -0.00495065 0.000781614 1
17 17 C 0.227326 3.35725 29.6619 0.00492116 -0.00207243 0.000130939 1
18 18 O 0.983421 1.0278 34.0308 -3.77707e-05 0.00197199 0.00278577 1
19 19 O -2.98805 3.72336 33.3519 -0.00121052 0.000663286 0.00136312 1
20 20 O 0.932593 6.10227 33.704 0.00133126 0.00181121 -0.00234153 1
21 21 C 1.16179 1.13089 32.6332 0.00157664 -0.00387951 0.000524791 1
22 22 C 0.582964 3.26281 28.2329 0.000204467 -0.00330441 -0.00059467 1
23 23 C 1.04756 3.31421 27.1039 0.000902313 -0.00285022 -0.000928743 1
24 24 C 1.80003 3.37383 25.858 0.00290836 0.000734768 0.00142325 1
25 25 C 1.49816 4.39638 24.932 -0.000682498 0.00822647 0.0027519 1
26 26 C 2.31355 4.58382 23.7862 0.00279192 0.00147558 0.00231753 1
27 27 C 3.43181 3.77641 23.5842 0.00176543 -0.000193665 0.00212245 1
28 28 C 3.72254 2.74636 24.5155 0.00424561 -0.00303125 -0.00345515 1
29 29 C 2.92231 2.52817 25.6558 -0.00040436 0.000988374 0.00108431 1
30 30 C 4.20328 3.80585 22.3367 0.00286733 -0.000917865 0.00070008 1
31 31 C 4.71157 3.73521 21.2405 0.00267201 -0.00530522 0.00355319 1
32 32 C 3.37965 0.205135 19.2472 0.000363465 0.00316276 -0.000946836 1
33 33 C 3.54472 0.105313 17.8506 -0.000211336 0.00181817 0.00454274 1
34 34 C 4.23602 1.1112 17.1214 0.000529297 -0.00266541 0.0020687 1
35 35 C 4.75528 2.20586 17.8369 -0.00515146 0.000198259 0.000271632 1
36 36 C 4.55171 2.32805 19.2132 -0.00260943 0.00224168 0.00169888 1
37 37 C 3.86129 1.31727 19.929 -0.000837798 0.000724541 -0.00372873 1
38 38 C 5.08167 3.61355 19.8497 0.00138831 -0.00125257 0.00182028 1
39 39 C 8.93423 3.85892 19.8554 0.000780742 0.00221867 0.00510097 1
40 40 C 9.13748 3.8281 18.4747 0.00174825 0.00130954 -0.0018878 1
41 41 C 8.10912 3.62119 17.5865 -0.00191136 -0.00131336 -0.00446446 1
42 42 C 6.81177 3.50554 18.1317 -0.00366801 0.00103501 3.98199e-05 1
43 43 C 6.5692 3.59929 19.5292 -0.000370248 0.00293429 -0.000932847 1
44 44 C 7.64529 3.81587 20.4014 0.00102851 -0.000989884 -0.000596443 1
45 45 C 3.60209 6.88292 18.4849 0.00203839 -0.00192717 -0.00593328 1
46 46 C 3.75764 6.72752 17.1446 0.000839391 -0.00767321 -0.000115136 1
47 47 C 4.34842 5.57332 16.6098 -0.00247683 0.00416375 0.0001343 1
48 48 C 4.75508 4.60413 17.5526 0.00317762 0.00276002 -0.00341787 1
49 49 C 5.53958 3.36161 17.2735 -0.000812773 0.000246116 0.00421313 1
50 50 C 4.51776 4.72457 18.9534 0.00190971 -0.00110122 -0.00275729 1
51 51 C 3.96759 5.91087 19.4196 -0.00384891 0.00485999 0.00144216 1
52 52 O 8.29477 3.49968 16.2294 0.00113757 -0.00296103 4.26294e-05 1
53 53 O 4.12444 1.13452 15.7572 -0.00280335 -0.00260611 0.00391218 1
54 54 O 4.62317 5.37533 15.2709 -0.000208217 -0.000781955 0.00299126 1
55 55 C -0.106928 3.51048 32.3452 -0.00444132 0.0022357 0.000831403 1
56 56 C 0.695475 2.25395 31.8804 0.000900805 0.00186344 0.00218844 1
57 57 C 9.49299 3.68299 15.551 -0.000271782 -0.00150074 0.000586378 1
58 58 C 9.32649 3.00096 14.166 -0.00314145 -5.67994e-06 -0.00392959 1
59 59 C 8.28062 3.5347 13.1519 0.00157384 -6.74446e-05 0.000196733 1
60 60 C 8.26114 2.66426 11.83 -0.000892242 -0.0024776 0.000625822 1
61 61 C 7.387 3.29052 10.763 -0.00108886 -0.00116281 0.000513817 1
62 62 C 7.14002 2.32111 9.58507 -0.00232386 -0.00129077 0.00213017 1
63 63 C 7.1804 3.12419 8.28689 0.00540477 -0.000838946 -0.00137608 1
64 64 C 6.81654 2.21194 7.09423 -0.00612559 -0.00130101 0.00103165 1
65 65 C 6.97441 2.95794 5.74368 -0.00149652 -0.000721316 0.000371972 1
66 66 C 6.75237 2.0753 4.49816 9.30204e-05 0.00146199 -0.0022357 1
67 67 C 7.03782 2.83645 3.20876 -0.00172048 -0.00238964 0.00435686 1
68 68 C 6.84315 1.94193 1.97279 -0.00340244 0.000200569 -0.00181682 1
69 69 F 2.05948 5.59663 22.9462 -5.71294e-05 0.00226323 -0.00280893 1
70 70 C 5.25687 1.03298 14.8729 0.003566 0.00455325 0.000918711 1
71 71 C 5.5589 -0.392973 14.4267 -5.88976e-05 -0.000360208 -0.000783668 1
72 72 C 6.28811 -0.347998 13.0712 0.000924578 0.000719211 -0.000644648 1
73 73 C 6.51372 -1.72346 12.4278 0.000809313 0.00403201 0.00332837 1
74 74 C 5.84668 -1.95988 11.0891 0.00177333 -0.00153805 -0.00255562 1
75 75 C 6.62242 -1.40293 9.86275 0.000625201 -0.00196678 0.000888787 1
76 76 C 6.07401 -2.01871 8.59944 0.000976717 0.000215582 -0.000406031 1
77 77 C 6.72092 -1.51294 7.27945 -0.00226271 0.00179817 -0.00171895 1
78 78 C 6.76634 -2.62335 6.22307 0.00257772 0.00650587 -0.00120782 1
79 79 C 7.28531 -2.21083 4.85001 0.000750791 -3.70632e-05 0.000892958 1
80 80 C 6.26421 -1.5526 3.96821 -0.00312438 0.00408165 0.00169457 1
81 81 C 6.65463 -1.46749 2.46695 -0.00220737 -0.0057865 -0.00262569 1
82 82 C 3.57367 5.67307 14.3522 -0.00584377 0.00324272 -0.00175724 1
83 83 C 3.13243 4.37153 13.6182 9.09188e-05 -0.00478174 0.00716799 1
84 84 C 3.88263 4.18127 12.2983 -0.00390838 0.00258541 -0.00185795 1
85 85 C 3.26889 4.93017 11.104 0.00203052 0.0018257 -0.00184637 1
86 86 C 3.95524 4.64169 9.76822 -0.00330982 0.0013997 -0.00113295 1
87 87 C 3.16618 5.19878 8.53204 0.00105372 0.00125131 0.000728885 1
88 88 C 3.64486 4.63144 7.20145 -0.00391105 0.000689041 0.00420465 1
89 89 C 3.12732 5.39441 6.00038 0.00239911 -0.00214103 0.000114715 1
90 90 C 3.47265 4.70634 4.62855 0.000743375 0.000781769 -0.00304034 1
91 91 C 3.05483 5.55894 3.4549 0.00256735 -0.00115977 -0.00119143 1
92 92 C 3.28086 4.91171 2.05194 -0.000429543 -8.05407e-05 -0.00184994 1
93 93 C 3.09171 5.90479 0.897126 0.00111358 -0.00119273 -0.000322793 1
94 94 C -4.14953 4.41362 33.8271 0.00202393 4.89728e-06 -0.00293769 1
95 95 C -5.22265 3.39783 34.1841 -0.00123279 -0.00275518 -0.00339777 1
96 96 C -6.09155 3.74728 35.4306 -0.00215622 0.00122685 0.00218637 1
97 97 C -5.35592 3.61818 36.8137 0.00144628 0.00415258 -0.00209126 1
98 98 C -6.25753 3.94859 38.0077 0.0028788 -0.00033313 -0.00245795 1
99 99 C -5.51576 3.47678 39.2889 -0.0023931 -0.000995347 -0.00193266 1
100 100 C -6.22187 3.98376 40.5466 -0.0016186 0.000342334 -0.00248083 1
101 101 C -5.6611 3.38405 41.851 -4.23257e-05 0.00074231 -0.00231565 1
102 102 C -6.23522 3.96479 43.1784 0.00283339 0.00109645 0.00141825 1
103 103 C -5.38447 3.47593 44.3744 0.00212459 -0.0036269 0.00165388 1
104 104 C -5.82603 4.07346 45.6812 -0.00174417 -0.00230324 0.00292192 1
105 105 C -7.13892 3.48574 46.1601 -0.00302603 0.00419857 0.00611856 1
106 106 C 1.91536 6.8554 34.4753 0.00328661 0.000724881 -0.00226258 1
107 107 C 1.22335 7.23636 35.8123 6.46744e-05 0.00278753 -0.00178961 1
108 108 C 2.12924 8.02618 36.8537 0.00249747 0.00131281 0.000634937 1
109 109 C 1.76774 7.6101 38.3071 0.000383155 -0.00339686 -0.000431583 1
110 110 C 2.50473 8.26901 39.4782 -0.00319848 0.000606534 -0.00108194 1
111 111 C 1.84342 7.79311 40.8213 -0.00161874 0.00391791 0.00104776 1
112 112 C 2.5671 8.30065 42.071 0.000817351 0.00232177 -0.000921384 1
113 113 C 1.95134 7.71352 43.3652 -0.000907426 0.00294937 -0.00335637 1
114 114 C 2.68443 8.22333 44.6276 0.00085678 -0.00196898 0.00102252 1
115 115 C 2.52459 7.38062 45.8918 -0.00131288 -0.00250911 0.00323111 1
116 116 C 1.01213 7.25912 46.3177 -0.000670434 -0.00198144 0.00604214 1
117 117 C 0.491051 8.39562 47.1748 0.00252682 0.000657769 -0.00219306 1
118 118 C 1.94087 0.242827 34.7817 -0.000259357 0.00169349 0.000190518 1
119 119 C 1.49042 -0.00285534 36.2618 0.000916228 0.00502421 -0.00122203 1
120 120 C 2.42794 -1.02618 36.9999 -0.00504753 0.00245521 -0.00517227 1
121 121 C 2.16171 -1.3929 38.4474 0.000700601 0.00173261 0.00284484 1
122 122 C 2.27363 -0.260212 39.5177 0.00124318 -0.000144017 0.000961963 1
123 123 C 2.60211 -0.766089 40.9435 0.00177135 8.80698e-05 0.00297164 1
124 124 C 1.46645 -1.59257 41.6081 -0.00124469 0.000879348 0.000684487 1
125 125 C 1.40729 -1.21892 43.1261 0.00114616 -0.000283945 -0.00108174 1
126 126 C 2.55481 -1.84007 43.9472 0.00197643 -0.00161427 0.00157038 1
127 127 C 2.49729 -1.33479 45.3959 0.0004625 0.00177847 -0.00147884 1
128 128 C 1.1807 -1.63005 46.1551 0.00712775 -0.00114034 0.000384167 1
129 129 C 1.21902 -1.11778 47.5936 -0.000138916 0.00575197 -0.00277768 1
130 130 F 0.470015 5.25647 25.1496 0.00227884 -0.00329963 0.000824202 1
131 131 H 2.08911 7.78423 32.041 -0.000740164 0.00658746 -0.0151505 1
132 132 H 2.07203 7.71719 29.6267 -0.014972 0.00569712 0.00258185 1
133 133 H 1.32271 5.74821 28.4619 -0.00142661 -0.00954265 0.00190791 1
134 134 H -4.86201 3.58961 31.4091 -0.000600145 0.00212648 0.00577544 1
135 135 H -4.43666 3.13951 28.9934 0.00374966 4.1399e-05 -0.00602112 1
136 136 H -2.2175 3.12759 28.1135 -0.00173743 -0.00299278 0.00574045 1
137 137 H 2.4181 -0.688967 32.4914 -0.00838009 -0.00728901 -0.00940147 1
138 138 H 2.71953 -0.666078 30.0902 0.00472478 -0.00570035 0.00653088 1
139 139 H 1.66278 1.07975 28.733 0.000548566 0.00308866 -0.000252907 1
140 140 H 4.58066 2.08865 24.4133 0.00891036 0.00180851 0.00445517 1
141 141 H 3.20747 1.83275 26.4397 -0.0027313 0.0056575 0.006092 1
142 142 H 2.87965 -0.596393 19.7828 -0.00730015 0.00155891 -0.0104911 1
143 143 H 3.06545 -0.732468 17.3528 -0.0126927 0.0131656 -0.00255727 1
144 144 H 3.77322 1.36931 21.0102 -0.00502867 -0.00697082 -0.00371108 1
145 145 H 9.80956 4.05836 20.4665 0.00119782 0.0084138 0.00249645 1
146 146 H 10.1541 3.90902 18.1014 0.00467132 -0.00296365 0.00513829 1
147 147 H 7.42113 4.05045 21.4378 -0.00563548 0.00818146 -0.00408085 1
148 148 H 3.11161 7.786 18.836 0.0199896 0.00196836 0.00909061 1
149 149 H 3.42342 7.51905 16.4804 -0.00633175 -0.0104977 0.000124721 1
150 150 H 5.75815 3.27335 16.2022 -0.000797845 -0.0103745 0.00509258 1
151 151 H 3.77801 6.06627 20.4776 -0.0170947 -0.00982358 0.00124108 1
152 152 H -0.228735 3.5705 33.4338 0.000972551 -0.00685157 0.00194434 1
153 153 H 9.64018 4.74026 15.2981 0.00158156 -0.00256743 -0.00284118 1
154 154 H 10.3433 3.24482 16.088 0.00688923 0.00327724 -0.00685183 1
155 155 H 9.15358 1.92582 14.2987 -0.00899424 0.00347625 0.0164655 1
156 156 H 10.311 3.04651 13.6844 -0.00357448 0.00561043 -0.00428174 1
157 157 H 8.50007 4.573 12.8741 -0.0154896 0.00634186 0.0106235 1
158 158 H 7.2747 3.52306 13.5894 -0.000822511 0.00313022 -0.00521861 1
159 159 H 7.8282 1.70287 12.1328 0.00578887 -0.00793853 -0.00723804 1
160 160 H 9.29542 2.5255 11.4917 0.00323359 -0.000566912 0.0123879 1
161 161 H 7.84606 4.22236 10.4104 -0.00257368 -0.00178214 -0.00306591 1
162 162 H 6.41623 3.57136 11.1898 0.00612815 0.02264 0.00129574 1
163 163 H 6.14326 1.87347 9.68254 -0.00177503 -0.00492674 -0.00888966 1
164 164 H 7.84966 1.49316 9.46544 0.00646817 0.00537524 0.00839964 1
165 165 H 8.18401 3.55725 8.19388 0.00321722 0.00327763 -0.00573969 1
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1335 127 C 18.0047 -0.806269 45.3435 0.00053989 0.00123872 -0.00288545 5
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1455 247 H 10.4613 2.11425 44.3898 -0.000348327 0.00235823 0.0130785 5
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1457 249 H 9.41679 4.88024 45.1018 -0.00987409 -0.00569692 0.00792803 5
1458 250 H 8.65159 3.28308 46.9422 0.00118268 0.00644791 0.00204785 5
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1512 2 C 21.4363 13.5815 29.8528 0.00466284 0.000241415 0.00293984 6
1513 3 C 20.9815 12.4379 29.2305 -0.0006423 0.000608584 -0.00514454 6
1514 4 C 20.3661 11.4205 29.9616 -0.000959845 0.00375751 0.0058792 6
1515 5 C 20.2096 11.5267 31.369 0.0029689 -0.000122713 0.00040692 6
1516 6 C 20.6584 12.6896 32.0021 -0.000643835 0.00138123 -0.00165938 6
1517 7 C 15.7768 10.2048 30.8526 0.00119163 0.00362719 -0.00335142 6
1518 8 C 15.9662 10.0367 29.5013 -0.00175055 0.000107776 -0.000346285 6
1519 9 C 17.2589 10.0624 28.9483 -0.00140576 -0.00859565 -0.00455411 6
1520 10 C 18.3631 10.1479 29.8242 0.00305936 0.00233308 -0.000165559 6
1521 11 C 18.1641 10.2404 31.239 0.0016858 -0.00229791 0.000375971 6
1522 12 C 16.8407 10.3592 31.763 -0.00152118 0.000593446 -0.0017425 6
1523 13 C 21.2602 6.84758 31.7483 0.00128165 -0.000859025 0.00275364 6
1524 14 C 21.3866 6.76248 30.3603 -0.000865604 -0.000831803 0.00113095 6
1525 15 C 21.0099 7.81563 29.5637 -0.000639948 0.00213558 -0.00315432 6
1526 16 C 20.398 8.95107 30.1694 0.00165935 0.00172997 -0.000891916 6
1527 17 C 19.8001 10.0929 29.3553 0.000507092 0.00132599 0.00209492 6
1528 18 O 20.5486 7.97992 33.7697 -0.0046804 0.00293312 0.000539562 6
1529 19 O 16.5686 10.4632 33.118 -0.00264885 0.000393286 0.0015923 6
1530 20 O 20.4831 12.8712 33.3682 -0.00172472 0.00424865 -0.00140761 6
1531 21 C 20.6843 7.98405 32.3901 -9.63828e-05 -0.00144996 0.00255947 6
1532 22 C 20.098 10.011 27.9272 -0.00148408 0.0034 0.000631455 6
1533 23 C 20.6635 10.0348 26.8502 -0.0044566 -0.000581845 0.00303711 6
1534 24 C 21.5511 10.1041 25.771 0.00310884 0.00457949 0.00350446 6
1535 25 C 22.05 11.3223 25.3555 0.00300934 0.00252951 0.00018103 6
1536 26 C 23.1004 11.3522 24.4446 -0.0045811 -0.00161268 -0.000105157 6
1537 27 C 23.6112 10.1262 23.9271 -0.000438173 0.00220317 -0.0018208 6
1538 28 C 23.0713 8.87895 24.3574 -0.00120659 -0.00218486 0.00114878 6
1539 29 C 22.0989 8.8819 25.3465 -0.00052824 0.000379054 0.00790741 6
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1765 255 H 19.9349 14.5412 35.5712 0.00833345 0.0100683 -0.00830095 6
1766 256 H 20.4526 12.8034 35.7993 -0.00506778 0.00360584 0.00529707 6
1767 257 H 22.7187 13.6396 36.4956 -0.00321681 0.000368314 0.00313712 6
1768 258 H 22.0803 15.3077 36.3974 -0.0140082 -0.00313631 -0.012748 6
1769 259 H 20.3234 14.5571 38.0999 -0.000751389 0.00715505 -0.00424736 6
1770 260 H 21.1779 13.0984 38.2235 5.81523e-05 0.00250659 0.00728647 6
1771 261 H 23.1437 15.2935 38.4594 0.0082139 -0.0165674 -0.0101146 6
1772 262 H 21.7664 15.535 39.5789 -0.0070947 -0.000710869 -0.00469402 6
1773 263 H 23.2076 12.9059 39.5679 0.00862992 -0.001217 0.00501402 6
1774 264 H 23.8477 14.335 40.4174 0.00714371 -0.0162398 0.00223818 6
1775 265 H 20.9781 13.4634 40.9721 -0.00196264 -0.0077062 0.0102468 6
1776 266 H 22.3572 12.5903 41.7008 0.00427514 0.0105254 0.0134611 6
1777 267 H 23.1648 14.7464 42.6246 0.00118335 0.00436873 -0.00620442 6
1778 268 H 21.778 15.5981 41.9554 0.0148092 0.00161409 -0.00313419 6
1779 269 H 20.2127 14.2492 43.2223 0.00315183 0.00408911 -0.0147559 6
1780 270 H 21.5333 13.2224 43.8976 0.0190382 -0.00100398 -0.00936873 6
1781 271 H 22.5186 15.475 44.8231 -0.00461685 0.00354157 0.0139281 6
1782 272 H 21.0003 16.1973 44.3271 -0.00689342 -0.000278107 -0.000802045 6
1783 273 H 19.7331 14.5722 45.8498 0.00795978 -0.00435829 -0.00774181 6
1784 274 H 21.2616 13.8877 46.3974 -0.000631159 -0.00073903 -0.00438217 6
1785 275 H 21.9255 16.0406 47.4375 0.00343178 -0.00746618 0.0032613 6
1786 276 H 20.5343 16.8315 46.761 0.000631987 -0.00178808 0.00598738 6
1787 277 H 20.2956 15.6418 48.0435 -0.00102925 -0.00191742 0.00354927 6
1788 278 H 20.0413 7.06524 35.5903 -0.00641188 -0.00405779 -0.00437185 6
1789 279 H 19.8149 6.0759 34.226 -0.00260486 0.00178263 -0.000679748 6
1790 280 H 22.6979 7.04138 34.7317 -0.00568462 0.00199458 -0.00843353 6
1791 281 H 22.1968 5.40777 34.2433 -0.0146861 -0.0120144 0.00767532 6
1792 282 H 23.0521 5.17064 36.4765 -0.000393702 0.00824386 0.00410338 6
1793 283 H 21.2768 5.06532 36.6403 0.00284532 -0.00702905 -0.00355673 6
1794 284 H 21.1889 7.3045 37.4858 0.00293558 0.00678685 0.0111185 6
1795 285 H 22.9223 7.5561 37.1828 -0.0056105 -0.00334663 -0.00402421 6
1796 286 H 22.8927 7.02591 39.4677 0.0115096 -0.0109363 0.00917261 6
1797 287 H 23.5011 5.59703 38.7327 0.00966019 0.0130918 0.00506286 6
1798 288 H 21.6313 4.38222 39.4666 -0.0213816 -0.00490033 0.00712101 6
1799 289 H 20.5401 5.6331 38.792 -0.0018985 -0.000685199 0.00175796 6
1800 290 H 20.1081 5.42989 41.1205 -0.00255916 0.00774316 -0.00468597 6
1801 291 H 20.9874 6.97702 40.9622 0.00038883 -0.00340486 0.00109655 6
1802 292 H 23.0068 5.69613 41.8365 -0.00447959 0.00755658 -0.0069906 6
1803 293 H 22.0426 4.17023 41.8686 0.00669208 -0.00179922 -0.00514159 6
1804 294 H 20.4968 5.35064 43.5074 -0.0099312 0.0167434 -0.00375874 6
1805 295 H 21.4795 6.83746 43.2759 0.00582224 -0.00100895 -0.00244648 6
1806 296 H 23.3955 5.77892 44.3249 -0.00177383 -0.0009772 -0.0031861 6
1807 297 H 22.6839 4.21188 44.2449 -0.0140307 0.000358607 -0.0106414 6
1808 298 H 20.8777 4.97136 45.8563 0.00592895 -0.00726216 -0.0107604 6
1809 299 H 21.5822 6.56754 45.959 0.0107771 0.000750005 0.0069115 6
1810 300 H 23.0314 4.0029 46.7453 0.00740662 0.0019211 0.0148087 6
1811 301 H 22.1655 5.11476 47.8588 -0.0023115 0.015443 -0.0051597 6
1812 302 H 23.5825 5.72001 46.9812 -0.0041978 0.0130589 0.00228469 6
1813 1 C 25.3448 6.81139 30.7874 -0.00122329 0.000907489 -0.00171201 7
1814 2 C 25.494 6.74098 29.4165 -0.00356904 0.00266387 0.000609183 7
1815 3 C 25.0256 5.65276 28.7099 -0.00286574 -0.00129845 0.00100704 7
1816 4 C 24.3131 4.66682 29.4937 0.00244404 -0.00191892 0.00215901 7
1817 5 C 24.2039 4.70197 30.9199 0.00154826 0.00105006 0.000406131 7
1818 6 C 24.7261 5.81658 31.5954 -0.00338416 0.000705528 0.00355719 7
1819 7 C 19.7182 3.28898 30.5194 0.000245288 -0.000267391 -0.00289194 7
1820 8 C 19.8426 3.25895 29.1095 0.00605688 -0.00711259 0.00239074 7
1821 9 C 21.0826 3.37346 28.5267 -0.000284521 -0.00613506 -0.000127527 7
1822 10 C 22.2183 3.36902 29.3214 0.00157042 7.30774e-05 -0.0026848 7
1823 11 C 22.1171 3.37406 30.749 -0.00117565 0.00199474 0.00240262 7
1824 12 C 20.8689 3.37745 31.3592 0.000935401 3.15056e-05 -0.00122227 7
1825 13 C 25.3735 0.0750975 30.8193 0.00297071 0.000463643 0.00301602 7
1826 14 C 25.4133 0.0650164 29.4208 0.00105996 0.000798062 -0.000636609 7
1827 15 C 24.8773 1.18069 28.7616 0.00360231 -0.00190869 0.00248103 7
1828 16 C 24.3264 2.25747 29.4794 0.00615981 -0.000682354 -0.00129039 7
1829 17 C 23.6487 3.42863 28.8214 0.00415309 -0.00011095 -0.000637067 7
1830 18 O 24.6898 0.977505 32.9662 0.00234683 0.00261563 0.000104821 7
1831 19 O 20.7393 3.42956 32.7136 0.00299773 -0.00141423 0.000396951 7
1832 20 O 24.6472 5.9883 32.9816 -0.00353495 0.000207586 -0.00156844 7
1833 21 C 24.7317 1.06133 31.5795 -0.00289157 0.000785474 -0.00440958 7
1834 22 C 23.8408 3.37601 27.3507 -0.00226649 -0.00216179 3.14068e-05 7
1835 23 C 24.2897 3.34638 26.2218 0.000932788 8.82708e-06 0.000416674 7
1836 24 C 25.1057 3.26853 25.0624 -0.0028579 0.00105197 -0.00257529 7
1837 25 C 25.5252 2.03284 24.5485 0.00219331 -0.000744792 -0.000565644 7
1838 26 C 26.4617 2.01757 23.4984 0.00948893 -4.46023e-05 -0.00502169 7
1839 27 C 27.0101 3.21134 23.0719 0.000543747 -0.00170579 0.00587647 7
1840 28 C 26.6229 4.44191 23.5723 -0.00299602 0.00174321 0.00197899 7
1841 29 C 25.6959 4.47488 24.6145 -0.000777859 -0.00490163 -0.000688626 7
1842 30 C 27.8638 3.2593 21.9172 -0.00166191 8.46148e-05 0.0021225 7
1843 31 C 28.4085 3.37952 20.8435 0.000934258 4.63217e-05 0.000252307 7
1844 32 C 27.1801 0.0556054 18.4802 1.84058e-05 -0.00290735 0.00114273 7
1845 33 C 27.3773 0.0974025 17.1023 0.000862994 0.00317008 0.00343661 7
1846 34 C 27.9342 1.20695 16.4502 -0.00240798 0.003064 0.00314908 7
1847 35 C 28.3305 2.28766 17.235 -0.000364724 0.00244255 -0.000954478 7
1848 36 C 28.172 2.23468 18.6639 -0.00574724 -0.00231242 0.000151564 7
1849 37 C 27.5775 1.1175 19.2633 0.00137152 -0.00144399 -0.00302033 7
1850 38 C 28.7369 3.45455 19.4122 0.00413156 -0.00397531 0.00338136 7
1851 39 C 32.6194 3.47106 19.1783 -0.0016262 -0.00382802 0.000999304 7
1852 40 C 32.7453 3.62692 17.7824 -0.0033678 -0.00139677 -0.005898 7
1853 41 C 31.6256 3.70208 16.9312 0.00234666 0.00261102 0.00113589 7
1854 42 C 30.3565 3.55681 17.5119 0.00113984 -0.00153981 0.000579813 7
1855 43 C 30.2258 3.51747 18.9177 -0.000635982 -0.00203939 -0.00232393 7
1856 44 C 31.3511 3.48563 19.7245 0.00179862 0.00236399 0.00084994 7
1857 45 C 26.6757 6.6336 18.6026 0.00135909 0.00229427 -0.00143997 7
1858 46 C 26.7034 6.57359 17.2015 0.00262506 -6.7168e-05 0.00281156 7
1859 47 C 27.5501 5.65449 16.5449 -0.00294382 -0.000126111 -0.00415539 7
1860 48 C 28.1795 4.67467 17.3263 0.000552164 0.0015408 -0.00619692 7
1861 49 C 29.0489 3.52315 16.747 -0.00112473 0.000537173 -0.00081492 7
1862 50 C 28.0509 4.65426 18.7229 0.0050532 0.00310933 0.00109991 7
1863 51 C 27.3372 5.66671 19.3841 -0.00833746 -0.00116584 -0.000864487 7
1864 52 O 31.8166 3.97311 15.619 0.000255054 -0.0016652 0.000412108 7
1865 53 O 28.3104 1.16123 15.1215 0.000862902 -0.00156912 0.00358089 7
1866 54 O 27.7107 5.72932 15.1842 -0.00135514 0.00142998 -0.00207314 7
1867 55 C 23.4893 3.41737 31.4718 -0.000992699 0.00112692 -0.0014752 7
1868 56 C 24.207 2.18868 30.8803 0.00261091 -0.000359167 -0.00231976 7
1869 57 C 31.8485 2.98354 14.5804 0.00150071 -0.00398678 0.00301148 7
1870 58 C 31.8641 3.69779 13.2184 -0.000299716 0.00295683 0.00116547 7
1871 59 C 30.5432 3.65992 12.4417 -0.00374916 0.00397904 0.00101269 7
1872 60 C 30.5325 2.6754 11.2405 -0.00275856 -0.00194121 3.68482e-05 7
1873 61 C 30.8766 3.32406 9.87583 0.000142936 -0.000164668 0.0015774 7
1874 62 C 30.3633 2.53783 8.66138 0.00188959 -0.000225986 0.000297779 7
1875 63 C 30.345 3.37778 7.36559 0.00613683 0.000455727 -0.00468248 7
1876 64 C 30.109 2.54172 6.11607 -0.00167599 0.00133879 -0.00353326 7
1877 65 C 30.336 3.31947 4.82556 -0.00257351 0.000967917 -0.00148189 7
1878 66 C 30.2737 2.39807 3.58902 0.00259674 0.000808541 -0.00259939 7
1879 67 C 30.2755 3.24445 2.32914 0.00138097 0.00342742 -0.000983227 7
1880 68 C 30.6817 2.42211 1.09175 -0.00437085 -0.000331995 0.000850202 7
1881 69 F 26.8598 0.839129 22.9317 -0.00154054 0.00129586 0.00178731 7
1882 70 C 28.6881 -0.0736179 14.5086 -0.00218233 -0.00165933 -0.00436167 7
1883 71 C 29.3123 0.244654 13.1436 -0.000189424 0.0014522 -0.00159238 7
1884 72 C 29.6417 -1.01385 12.3569 -0.000519069 0.00494253 -0.00155716 7
1885 73 C 30.0085 -0.802003 10.911 -0.00514702 0.000635068 0.00104461 7
1886 74 C 30.6454 -2.08624 10.2866 -0.0010014 0.000728469 -0.00324877 7
1887 75 C 31.248 -1.71035 8.92127 0.00180085 0.0026893 0.00167775 7
1888 76 C 30.2249 -1.6066 7.78511 0.00350713 -0.00090087 0.000318918 7
1889 77 C 30.9887 -1.13002 6.51364 -0.0024021 -0.00194995 -0.0010285 7
1890 78 C 30.1215 -0.921058 5.26292 0.000853084 -0.000673582 -0.00360982 7
1891 79 C 29.7834 -2.21956 4.53059 0.000905454 0.00315125 0.00379978 7
1892 80 C 29.0419 -1.93974 3.19906 -0.00129179 0.000400448 0.00162419 7
1893 81 C 29.9722 -1.36773 2.05688 -0.00337759 0.00127406 -0.00386921 7
1894 82 C 26.9243 4.92632 14.3386 0.0013389 0.00422488 -0.00227614 7
1895 83 C 27.4885 5.16305 12.9057 0.00349567 0.00218094 0.000560968 7
1896 84 C 27.1705 4.01432 11.8917 0.000423406 -0.00487848 -0.00242833 7
1897 85 C 27.5121 4.33336 10.4699 0.00109972 -0.00390227 -0.000268697 7
1898 86 C 26.4832 5.26714 9.79616 -0.000827587 -0.000451006 0.00207356 7
1899 87 C 26.8393 5.33695 8.27333 -0.0017879 0.000899324 0.00200332 7
1900 88 C 25.6905 5.93386 7.38274 -0.00377908 0.00170478 -0.00325906 7
1901 89 C 26.1363 6.21384 5.92966 0.00139141 -0.000684051 0.00118691 7
1902 90 C 26.7253 4.94774 5.24328 -0.000939555 -0.00174354 -0.00200165 7
1903 91 C 27.1116 5.18487 3.72835 -0.00610653 0.00313515 0.00174109 7
1904 92 C 25.9636 5.75569 2.84925 0.000444155 0.000770166 -0.00191248 7
1905 93 C 26.3379 5.48537 1.36854 -0.00114074 0.00391903 0.000217625 7
1906 94 C 19.4326 3.43016 33.3176 -0.000870369 -0.00800295 0.000805022 7
1907 95 C 19.5627 3.32085 34.83 0.00434668 0.000750227 -0.00030908 7
1908 96 C 18.3704 3.86175 35.6477 -0.00507505 -0.00200137 0.00476682 7
1909 97 C 18.5399 3.65057 37.1938 -0.00236329 -0.0015677 0.00195437 7
1910 98 C 17.3574 4.17924 38.0494 0.00151173 0.00674272 -0.00281757 7
1911 99 C 17.5193 4.2481 39.5878 -0.000841466 0.000774887 0.00166504 7
1912 100 C 17.6903 2.87336 40.2793 -0.000220555 -0.00249411 0.00212395 7
1913 101 C 18.4603 2.79077 41.6255 -0.0042626 -0.000524769 -0.00237443 7
1914 102 C 17.6447 3.25235 42.8223 0.00137573 -2.49443e-06 -0.00291454 7
1915 103 C 18.4283 3.0268 44.1966 0.000706271 0.00334182 0.00181113 7
1916 104 C 17.6332 3.38177 45.4741 0.00509151 -0.00642012 0.00497564 7
1917 105 C 18.3969 3.1823 46.7579 0.00152681 0.00318565 0.00339209 7
1918 106 C 25.4059 7.08452 33.5984 -0.00495292 0.0010818 0.00120338 7
1919 107 C 25.5772 7.10149 35.134 -2.59504e-05 0.00101363 -0.000962699 7
1920 108 C 26.5041 8.29229 35.5423 -0.00389753 -0.00035074 -0.00390535 7
1921 109 C 26.2352 8.9295 36.9128 -0.00368179 -0.000424877 -0.000900341 7
1922 110 C 26.1297 7.94894 38.1055 -0.00493806 0.00119337 -0.00127914 7
1923 111 C 25.9744 8.75633 39.4195 0.00347805 0.000635465 -7.15207e-05 7
1924 112 C 25.8177 7.86674 40.6547 0.0015383 -0.000331576 0.00642356 7
1925 113 C 25.7731 8.66125 41.9719 -0.0016072 -0.00406466 0.00236433 7
1926 114 C 25.6492 7.778 43.2088 -0.00367744 -0.000578637 -0.00124466 7
1927 115 C 25.3376 8.53745 44.5272 -0.00104694 0.00335385 0.00464838 7
1928 116 C 25.5971 7.67348 45.7516 0.00187969 -0.00309714 -0.00135965 7
1929 117 C 25.308 8.32494 47.0656 0.000629534 0.00180185 0.000720474 7
1930 118 C 25.3152 -0.160894 33.574 2.85096e-05 -0.000833539 -0.00313882 7
1931 119 C 25.2472 -0.198479 35.1179 0.000575035 0.00488175 -0.00902978 7
1932 120 C 26.0442 -1.39348 35.6709 0.00151151 0.00273978 -0.00266569 7
1933 121 C 25.9237 -1.57552 37.1942 0.00211541 0.0025832 0.000543726 7
1934 122 C 25.9379 -0.382583 38.0982 0.000682799 -0.000845194 0.000232607 7
1935 123 C 25.9686 -0.86428 39.5842 -0.000785104 0.00522007 0.00313292 7
1936 124 C 25.5906 0.267257 40.5439 0.00409348 0.000174998 -0.00116214 7
1937 125 C 25.2511 -0.261655 41.9896 -0.00371427 -0.00577657 0.00456939 7
1938 126 C 26.3936 -0.913344 42.7975 -0.0041243 -0.000520823 -0.00115737 7
1939 127 C 25.9525 -1.35961 44.2148 -0.0002749 0.000616137 0.000585755 7
1940 128 C 25.6845 -0.196713 45.161 -0.00398977 -0.00226934 0.00269136 7
1941 129 C 25.4 -0.654778 46.63 -0.00150293 -0.00236608 -0.00347063 7
1942 130 F 25.0139 0.864759 25.0182 0.000301245 0.00463442 -0.000117507 7
1943 131 H 25.6901 7.724 31.2642 0.00649031 -0.00690645 0.00767751 7
1944 132 H 25.9832 7.55029 28.8825 -0.000590299 0.0141255 0.0207142 7
1945 133 H 25.129 5.6102 27.6297 -0.00926113 0.01491 -0.000241719 7
1946 134 H 18.7263 3.36747 30.9544 -0.00320384 0.00518097 -0.0117307 7
1947 135 H 18.9436 3.12816 28.5145 0.00822572 -0.0166433 0.00119411 7
1948 136 H 21.1602 3.34896 27.4437 0.00146555 0.00868651 -0.000330011 7
1949 137 H 25.8564 -0.796942 31.2503 0.0108406 0.00438378 0.00214476 7
1950 138 H 25.881 -0.772033 28.9109 0.00158508 -0.00444747 0.0084183 7
1951 139 H 24.8632 1.1388 27.6765 0.0033171 -0.00498328 0.00260191 7
1952 140 H 27.0477 5.35585 23.1678 -0.00254274 -0.0018614 -0.00569518 7
1953 141 H 25.4141 5.39785 25.1126 0.0267333 0.00211056 0.00183353 7
1954 142 H 26.8073 -0.848578 18.9523 -0.0209212 0.00125641 -0.00744149 7
1955 143 H 27.1471 -0.79115 16.5219 0.00720437 0.00248747 0.00196422 7
1956 144 H 27.4751 0.966592 20.3339 -0.000250003 0.0146457 -0.000943122 7
1957 145 H 33.54 3.43104 19.753 0.00204835 -0.0101942 -0.00529136 7
1958 146 H 33.7229 3.65328 17.3101 -0.000116457 0.00504977 0.00121765 7
1959 147 H 31.2539 3.54531 20.8045 -0.0107184 0.0128499 -0.000843563 7
1960 148 H 26.1063 7.40476 19.1129 -0.00307973 -0.00229998 0.000542332 7
1961 149 H 26.1363 7.33572 16.6753 0.00380631 -0.0011023 4.96438e-05 7
1962 150 H 29.1599 3.57696 15.657 0.0238974 0.00450952 0.00194266 7
1963 151 H 27.1377 5.62724 20.4509 -0.00121517 -0.0126825 4.03459e-05 7
1964 152 H 23.4222 3.30931 32.5614 0.00887557 0.01519 0.000498602 7
1965 153 H 32.7999 2.45467 14.7167 0.0120145 0.0124028 -0.00658187 7
1966 154 H 30.9856 2.31586 14.6943 0.00488033 -0.0082051 0.00386216 7
1967 155 H 32.6886 3.28398 12.6249 -0.00278479 -0.000287078 -1.36523e-05 7
1968 156 H 32.0957 4.76849 13.2766 -0.00810287 0.00477463 -0.00094223 7
1969 157 H 30.4149 4.66315 12.0168 0.0205595 0.000681461 -0.0142398 7
1970 158 H 29.7043 3.45058 13.1169 0.00230043 0.00282696 0.00815936 7
1971 159 H 29.5503 2.19237 11.1677 -0.00466879 0.00306545 -0.00739035 7
1972 160 H 31.296 1.90374 11.3989 0.00197657 0.00435525 0.00787194 7
1973 161 H 31.9732 3.34653 9.85544 0.000160709 0.00474397 0.00777691 7
1974 162 H 30.4741 4.34186 9.80219 0.00489432 0.00196557 0.00511417 7
1975 163 H 29.3443 2.20075 8.88799 0.00359505 -0.008608 -0.00458685 7
1976 164 H 31.0444 1.69601 8.48586 0.00449874 0.00148609 0.0021881 7
1977 165 H 31.3127 3.88498 7.26657 0.0059599 6.3436e-05 -0.00841482 7
1978 166 H 29.5744 4.15787 7.39766 -0.0060002 -0.0112768 -0.0107975 7
1979 167 H 29.0885 2.14118 6.15419 0.000735792 -0.00441005 0.000649594 7
1980 168 H 30.8052 1.6949 6.07569 -0.00546507 -0.00223157 0.00625937 7
1981 169 H 31.3238 3.79621 4.84338 0.00201047 -0.00828648 -0.00767571 7
1982 170 H 29.5762 4.11044 4.80293 -0.0161619 -0.0120975 -0.00214538 7
1983 171 H 29.367 1.7807 3.60505 0.00610469 -0.00414524 0.00456206 7
1984 172 H 31.1708 1.76985 3.65174 0.00641239 0.00641379 -0.000819915 7
1985 173 H 30.9371 4.11648 2.4011 0.00794511 -0.000805711 -0.00993146 7
1986 174 H 29.2799 3.65718 2.12451 -0.00159578 0.00395605 0.0146934 7
1987 175 H 30.0617 1.52882 0.946337 -0.0118059 0.00410101 0.0053952 7
1988 176 H 31.7061 2.05144 1.22003 -0.00073258 0.00426357 -0.0150725 7
1989 177 H 30.6483 3.10015 0.230028 -0.00705014 0.0024874 0.00316333 7
1990 178 H 29.4152 -0.612157 15.1289 -0.00446552 -0.00471873 -0.00434476 7
1991 179 H 27.8164 -0.716662 14.3352 0.00805068 -0.0129606 -0.0139503 7
1992 180 H 28.5992 0.844046 12.5643 -0.00873857 -0.00404678 0.00324201 7
1993 181 H 30.199 0.870792 13.3018 -0.00151751 0.00245696 0.00190661 7
1994 182 H 30.3643 -1.67452 12.8516 0.0119852 0.0110231 -0.0117337 7
1995 183 H 28.7448 -1.64205 12.2914 -0.0012399 0.00590176 -0.000857008 7
1996 184 H 29.109 -0.487544 10.3674 -0.000214021 0.0231864 0.00594409 7
1997 185 H 30.7658 -0.0116491 10.8385 0.00879666 -0.0122239 0.00612265 7
1998 186 H 31.4135 -2.45726 10.9763 -0.00879456 0.00988831 0.0104065 7
1999 187 H 29.8768 -2.86845 10.2585 0.00980938 -0.00988211 -0.00307579 7
2000 188 H 31.8478 -0.796501 9.01393 0.00679689 -0.00128785 0.00873558 7
2001 189 H 31.9981 -2.48731 8.72871 0.00574797 0.00793575 -0.00406908 7
2002 190 H 29.6589 -2.52472 7.58465 -0.0193515 0.0166431 -0.0157101 7
2003 191 H 29.5153 -0.837144 8.11341 -0.00446567 -0.0113038 0.00746548 7
2004 192 H 31.4234 -0.151268 6.75124 0.000764007 -0.000991188 -0.0107631 7
2005 193 H 31.8396 -1.7921 6.31123 -0.000307423 -0.000648263 0.0035007 7
2006 194 H 29.1841 -0.445992 5.57754 0.00198685 -0.000421907 -0.000612817 7
2007 195 H 30.5875 -0.231656 4.54809 -0.00700063 0.0113727 0.00288308 7
2008 196 H 30.6937 -2.80369 4.34735 -0.0100436 -0.00812178 -0.0146265 7
2009 197 H 29.1972 -2.85609 5.20482 0.00313107 -0.007057 -0.00390017 7
2010 198 H 28.5442 -2.86369 2.87978 -0.00582135 0.00276258 0.00184426 7
2011 199 H 28.2237 -1.2358 3.39504 -0.00717186 -0.00319501 -0.0100069 7
2012 200 H 30.7153 -2.15258 1.86897 0.00722914 0.011204 -0.00319693 7
2013 201 H 29.4707 -1.14389 1.10726 0.00717517 0.00641144 -0.00824556 7
2014 202 H 30.4177 -0.436928 2.42921 -0.00460639 0.00990666 -0.0240865 7
2015 203 H 27.055 3.8707 14.6069 0.0220083 0.00636001 -0.00393105 7
2016 204 H 25.8605 5.18911 14.3917 0.000997111 0.00115724 0.0059566 7
2017 205 H 26.953 6.04117 12.5242 0.0160558 0.00392791 -0.01301 7
2018 206 H 28.5591 5.39187 12.8361 0.00310176 0.00479313 0.00321329 7
2019 207 H 27.7345 3.1402 12.2398 -0.00207649 -0.0069075 -0.00348135 7
2020 208 H 26.1233 3.68747 11.901 0.000503257 -0.00503526 0.000836043 7
2021 209 H 28.4894 4.83167 10.4638 0.000995605 -0.00373023 -0.00264586 7
2022 210 H 27.5613 3.41786 9.86752 -0.0102906 -0.00342409 -0.00195117 7
2023 211 H 25.4715 4.84843 9.86324 -0.00317957 0.00537951 0.00296695 7
2024 212 H 26.4729 6.27632 10.2261 -0.00151222 0.00632795 -0.0138131 7
2025 213 H 27.7291 5.97126 8.17643 -0.00230393 0.000832516 -0.00313904 7
2026 214 H 27.0523 4.32232 7.91475 -0.00101012 0.000129187 0.00464432 7
2027 215 H 24.7893 5.30935 7.41865 -0.00977949 0.0106899 0.00292141 7
2028 216 H 25.3704 6.88768 7.82004 0.013781 0.0080007 -0.00414366 7
2029 217 H 25.2658 6.64414 5.41931 -0.00356104 0.00207158 0.0119082 7
2030 218 H 26.8984 7.00236 5.95935 -0.00500336 0.00607537 -0.0146282 7
2031 219 H 27.6329 4.64087 5.77759 -0.00567596 -0.00307718 0.00526816 7
2032 220 H 26.0148 4.11331 5.29213 0.0137642 -0.013606 0.00917489 7
2033 221 H 27.9704 5.85562 3.60227 0.000227025 -0.0053824 -0.000268588 7
2034 222 H 27.3401 4.17666 3.36137 -0.00417243 0.00627908 -0.00564254 7
2035 223 H 25.0626 5.17044 3.07059 0.00633321 -0.0117691 -0.0108694 7
2036 224 H 25.8155 6.83544 2.97411 -0.00902317 -0.00123283 0.00400396 7
2037 225 H 26.5646 4.43248 1.16019 -0.000527258 0.00295873 0.00577214 7
2038 226 H 25.5263 5.74741 0.678566 0.00387135 -0.00697736 -0.00983611 7
2039 227 H 27.2165 6.0955 1.12522 0.00122721 -0.000434709 -0.0021327 7
2040 228 H 18.8517 4.32481 33.0617 0.00563793 -0.00248915 0.00535504 7
2041 229 H 18.8359 2.5664 32.9995 0.000534775 -0.00451653 -0.01125 7
2042 230 H 19.8077 2.28515 35.0959 -0.0164522 -0.00318896 0.00338155 7
2043 231 H 20.492 3.83161 35.111 0.0101729 -0.0104647 0.000881015 7
2044 232 H 18.2923 4.91605 35.3548 -0.0029154 -0.00221992 0.003397 7
2045 233 H 17.4418 3.43137 35.2528 -0.00300656 -0.000853368 -0.00138076 7
2046 234 H 18.6802 2.57931 37.3839 -0.010708 -0.00463299 -0.00915235 7
2047 235 H 19.4567 4.18311 37.4754 -0.00554783 -0.00508235 0.0188807 7
2048 236 H 17.0507 5.16441 37.6768 -0.00609094 0.0037422 -0.00450634 7
2049 237 H 16.52 3.49521 37.8643 -0.0060844 0.014695 0.00217371 7
2050 238 H 18.4013 4.86154 39.8094 -0.00549456 0.0118477 -0.0104957 7
2051 239 H 16.6755 4.80474 40.014 0.00483654 0.00594693 0.00616436 7
2052 240 H 16.6799 2.4725 40.4274 -0.00443159 0.00639344 -0.00248731 7
2053 241 H 18.1863 2.18583 39.5832 0.0111835 -0.00152271 0.00929256 7
2054 242 H 18.8509 1.77358 41.7529 0.0080739 0.00324667 -0.00993451 7
2055 243 H 19.3355 3.45127 41.591 -0.0113453 0.00881612 -0.00354868 7
2056 244 H 17.38 4.31081 42.7083 -0.00656834 -0.00356811 -0.0174036 7
2057 245 H 16.7462 2.62643 42.8877 0.00588233 -0.00694794 -0.00733897 7
2058 246 H 18.7842 1.98977 44.2325 -2.33492e-07 0.00285398 -0.00505059 7
2059 247 H 19.3483 3.62414 44.1866 0.00742843 -0.00703765 -0.000163612 7
2060 248 H 17.2189 4.39688 45.4378 0.0100558 -0.00482279 -0.00654565 7
2061 249 H 16.7302 2.75903 45.4873 0.000664063 -0.000148099 -0.000727099 7
2062 250 H 17.7434 3.39403 47.6133 0.000550701 -0.00015508 0.00347745 7
2063 251 H 18.6299 2.11107 46.7975 0.00186034 0.00287849 -0.00664582 7
2064 252 H 19.3095 3.78829 46.8153 0.00530105 -0.00117794 -0.0105632 7
2065 253 H 26.4271 7.08067 33.1979 0.00041499 -0.0127312 0.0150208 7
2066 254 H 24.9322 8.02824 33.301 0.00134136 0.00944599 0.0177339 7
2067 255 H 24.6075 7.2459 35.6263 -0.000132908 -0.0155755 0.00365852 7
2068 256 H 26.0415 6.18649 35.522 0.00236098 -0.00144914 -0.00964058 7
2069 257 H 27.5172 7.87178 35.5264 -0.00659591 -0.00727573 0.00614952 7
2070 258 H 26.4348 9.13552 34.844 -0.0115243 -0.00248614 -0.00572803 7
2071 259 H 27.0724 9.62517 37.0488 -0.00408271 0.00247495 -0.0131746 7
2072 260 H 25.3394 9.56278 36.9108 -0.00148476 0.00266565 -0.00446293 7
2073 261 H 25.2592 7.28689 38.02 0.00424054 -0.0120761 0.00764148 7
2074 262 H 26.98 7.25908 38.1724 -0.00727353 -0.00094664 0.00649882 7
2075 263 H 26.8315 9.43642 39.4989 -0.00179292 0.00663444 0.00534137 7
2076 264 H 25.0759 9.3808 39.3407 0.00604579 0.00303454 -0.010363 7
2077 265 H 24.8597 7.33431 40.6086 0.0130954 -0.019761 -0.00812442 7
2078 266 H 26.6565 7.16038 40.684 -0.00347281 -0.00641152 0.00305575 7
2079 267 H 26.6975 9.24124 42.0839 -0.00443166 0.00101167 -0.000672954 7
2080 268 H 24.8972 9.32154 41.9575 0.00889965 0.00950938 -0.0129455 7
2081 269 H 24.8662 7.04184 42.9888 -0.00356099 -0.00227556 0.00405216 7
2082 270 H 26.5994 7.23706 43.2979 -0.0102407 -0.0128146 -0.00556479 7
2083 271 H 25.9437 9.44556 44.6338 0.016541 -0.00724047 -0.00551962 7
2084 272 H 24.3171 8.93931 44.5021 -0.000252366 0.00530775 0.00343477 7
2085 273 H 25.017 6.74686 45.6603 -0.00377199 0.000758474 -0.00453979 7
2086 274 H 26.6597 7.40222 45.7234 0.00125871 -0.00617484 0.00516395 7
2087 275 H 25.6789 7.64227 47.8401 0.0138203 -0.00144529 -0.0084503 7
2088 276 H 25.8398 9.2729 47.214 0.00379426 0.0014302 -0.00831588 7
2089 277 H 24.2308 8.4362 47.2407 0.000839301 0.00405386 0.000566304 7
2090 278 H 24.7617 -1.05017 33.248 0.00746035 -0.00321554 -0.00922047 7
2091 279 H 26.3698 -0.269097 33.2922 0.00138868 0.00531217 -0.000394419 7
2092 280 H 24.1934 -0.290334 35.4085 -0.0010397 -0.00736859 -0.0187137 7
2093 281 H 25.647 0.736938 35.5284 0.00878904 0.000368768 -0.00674325 7
2094 282 H 27.0994 -1.28383 35.3919 0.000656555 0.00638556 -0.00448254 7
2095 283 H 25.7663 -2.33107 35.1738 -0.00880163 -0.000113796 0.00850313 7
2096 284 H 26.8223 -2.1587 37.4303 -0.00463365 -0.0116828 -0.00901453 7
2097 285 H 25.0328 -2.15917 37.4572 0.00503337 -0.0061754 -0.00906029 7
2098 286 H 25.0868 0.270507 37.8691 -1.06631e-05 -0.00276176 -0.00265317 7
2099 287 H 26.8296 0.232017 37.9233 0.00499514 -0.00503621 0.00749685 7
2100 288 H 26.9307 -1.32428 39.8412 -0.00622531 -0.00180949 0.0109341 7
2101 289 H 25.2042 -1.64133 39.7083 0.00701003 -0.00245681 0.00297469 7
2102 290 H 24.7301 0.829367 40.1605 0.0116492 0.0188943 0.00931801 7
2103 291 H 26.4446 0.950426 40.63 -0.00226363 0.00747897 0.003979 7
2104 292 H 24.4558 -1.00688 41.8645 0.00862117 -0.0179013 -0.00173325 7
2105 293 H 24.8925 0.601801 42.5634 0.0125705 0.00221675 0.00277544 7
2106 294 H 27.2673 -0.262021 42.923 0.00866476 -0.0184621 0.00319213 7
2107 295 H 26.7387 -1.75324 42.1819 -0.00373048 0.00259936 -0.00521333 7
2108 296 H 26.7293 -1.97796 44.6814 0.00884224 0.00113067 -0.0139193 7
2109 297 H 25.051 -1.97728 44.1195 0.00103979 0.000800449 -0.0131038 7
2110 298 H 24.8653 0.430771 44.7889 0.0119076 0.00893099 -0.0134884 7
2111 299 H 26.5725 0.445889 45.117 -0.00284784 -0.00336921 0.00986449 7
2112 300 H 25.3453 0.235932 47.268 0.0154015 -0.000147752 -0.00507569 7
2113 301 H 26.179 -1.3182 47.0254 -0.00179618 -0.00629973 -0.009481 7
2114 302 H 24.4878 -1.26365 46.6536 0.00164165 -0.00755271 -0.0146837 7
2115 1 C 29.0319 13.8332 30.7834 0.00247062 -0.00210337 -0.000653252 8
2116 2 C 29.1155 13.7393 29.3585 0.000494424 -0.00200893 -0.000566385 8
2117 3 C 28.6592 12.6265 28.6696 -0.000282088 0.000165732 0.00179052 8
2118 4 C 28.185 11.5286 29.3856 0.001854 0.00278064 0.00505286 8
2119 5 C 28.0733 11.5644 30.7869 -0.00186606 0.00204536 0.000637837 8
2120 6 C 28.4461 12.7675 31.5074 0.00461575 -0.000735959 -0.0032531 8
2121 7 C 23.6392 10.3868 30.2186 -0.00169796 -0.0035265 -0.00197144 8
2122 8 C 23.8148 10.3483 28.8341 -0.00190009 -0.00251575 -0.000505757 8
2123 9 C 25.0726 10.2033 28.2817 0.00546383 0.00163438 0.00186796 8
2124 10 C 26.1886 10.2879 29.1411 -0.00153905 3.93942e-05 -0.00320691 8
2125 11 C 26.0135 10.3459 30.5308 0.000974206 0.00404969 0.00110337 8
2126 12 C 24.7296 10.3405 31.0982 -0.000561066 0.00146184 -0.00143731 8
2127 13 C 29.1573 6.9246 30.9869 0.0011583 -0.00223811 -0.00116588 8
2128 14 C 29.3283 6.87428 29.5985 -0.00335683 -0.00114718 0.00359697 8
2129 15 C 28.8461 7.92167 28.8191 -0.00288233 -8.65593e-05 0.00610464 8
2130 16 C 28.2673 9.03226 29.4553 0.00263626 0.00383882 -0.00113429 8
2131 17 C 27.6405 10.2541 28.7402 -0.00415585 0.000424408 0.00416752 8
2132 18 O 28.5055 8.07537 33.0392 -0.000228733 -0.00186155 -9.58833e-05 8
2133 19 O 24.5813 10.2906 32.4733 0.00293408 0.00240217 -0.00389114 8
2134 20 O 28.3686 12.8542 32.9069 0.00435727 -0.00127438 -0.0026064 8
2135 21 C 28.61 8.05056 31.6433 -0.00133838 0.0010419 -0.00203267 8
2136 22 C 27.9332 10.211 27.2943 0.00188041 0.00527536 0.00283301 8
2137 23 C 28.4538 10.2191 26.1967 0.000270419 -0.00221377 -0.00104977 8
2138 24 C 29.3002 10.1935 25.0465 -0.000923044 -0.00129342 0.00344134 8
2139 25 C 30.1919 11.245 24.7829 0.000369689 -0.00206441 0.00161514 8
2140 26 C 31.0185 11.167 23.6687 -0.00286024 -0.00217294 -0.00414792 8
2141 27 C 31.0835 9.98822 22.886 -4.18119e-05 0.00204018 0.00105407 8
2142 28 C 30.2056 8.9075 23.1484 -0.000475917 0.00153662 -0.00180609 8
2143 29 C 29.3123 9.00036 24.2658 0.000892028 0.00229098 -0.00278524 8
2144 30 C 31.817 9.91526 21.6894 -0.00185154 0.00192117 -0.0034193 8
2145 31 C 32.2925 9.96836 20.5717 -0.00444492 0.00207332 0.000164955 8
2146 32 C 30.7536 6.86265 17.9268 -0.00358222 0.00175885 -0.000421869 8
2147 33 C 30.9619 6.99114 16.5648 -0.00210146 0.00311369 0.00220167 8
2148 34 C 31.7707 8.02998 16.0189 -0.00136665 0.00145549 0.000838503 8
2149 35 C 32.314 8.95515 16.9448 0.00163814 -0.000180373 0.00259633 8
2150 36 C 32.0776 8.86956 18.3166 0.00151458 -0.00168326 -0.00360841 8
2151 37 C 31.3135 7.81425 18.8235 -0.000570714 0.000776579 -0.00156425 8
2152 38 C 32.6041 10.0544 19.1465 0.00119082 -9.56662e-05 -0.000917575 8
2153 39 C 36.504 10.1637 19.1923 0.00284913 -0.00183453 0.00341426 8
2154 40 C 36.7249 10.2897 17.802 -0.000126023 -0.000337633 -0.00271695 8
2155 41 C 35.6421 10.2339 16.9085 -0.00354154 0.00194283 0.00209702 8
2156 42 C 34.3336 10.1245 17.3827 0.000934851 -0.00583274 0.00660338 8
2157 43 C 34.0875 10.0914 18.7687 -0.00134017 -0.00313118 -0.000288267 8
2158 44 C 35.2087 10.054 19.6794 -0.00280373 -0.000841118 0.00297245 8
2159 45 C 31.2345 13.6031 18.5603 -0.00175463 -0.00250876 -0.00264997 8
2160 46 C 31.4831 13.6854 17.1598 -0.000716809 -0.00620738 0.0039261 8
2161 47 C 31.9805 12.6161 16.4196 -0.000383729 -0.00111986 0.00234688 8
2162 48 C 32.3121 11.4357 17.1197 -0.00180056 0.000379773 -0.00121479 8
2163 49 C 33.0792 10.2079 16.5414 -0.000484421 0.00142272 0.000942585 8
2164 50 C 32.0622 11.309 18.5075 -0.00586374 -0.00262749 -0.0013135 8
2165 51 C 31.5141 12.4212 19.2257 0.00369966 0.00159509 -0.00351113 8
2166 52 O 35.8623 10.252 15.5646 0.000347462 -0.000524485 -0.00380691 8
2167 53 O 32.0395 8.16617 14.7013 0.00302175 -0.000547795 -0.00290768 8
2168 54 O 32.0394 12.7856 15.0456 -0.00030351 -0.00115258 0.000649197 8
2169 55 C 27.3294 10.3418 31.3635 0.00166557 0.000325286 -0.00228406 8
2170 56 C 28.1074 9.09132 30.8493 -0.00262643 0.00180716 -0.0029371 8
2171 57 C 36.6045 9.12779 15.0129 -0.000142032 -0.00140467 -0.00211934 8
2172 58 C 35.6984 8.49684 13.9524 -4.91008e-05 0.00219962 0.00588938 8
2173 59 C 35.6132 9.2881 12.595 0.00245501 0.00626205 -0.000276158 8
2174 60 C 34.2827 9.08461 11.8454 -0.00176506 0.0020515 0.00288779 8
2175 61 C 34.185 9.8204 10.4981 -0.000162352 0.00258259 0.00159141 8
2176 62 C 34.741 9.01485 9.24587 0.00273218 -0.00202288 0.00143458 8
2177 63 C 34.5871 9.76408 7.93247 0.00204694 0.00293111 0.00137947 8
2178 64 C 34.6764 8.79838 6.70547 -0.00472682 -7.14531e-05 0.00320833 8
2179 65 C 34.4974 9.56755 5.32109 -0.000322363 0.000474106 -0.000928034 8
2180 66 C 34.4609 8.57637 4.1418 -0.00185581 0.0041366 0.00200952 8
2181 67 C 34.4486 9.21653 2.74037 1.37575e-06 -0.00380488 0.00174662 8
2182 68 C 33.2673 10.1872 2.54172 0.00416676 0.000605984 -0.00240185 8
2183 69 F 31.8277 12.1948 23.3903 0.00217404 -0.00177355 -0.000204245 8
2184 70 C 31.0444 8.68726 13.8249 -0.00143702 -0.00104027 -0.00293948 8
2185 71 C 30.156 7.52995 13.2641 0.000575518 -0.00104746 0.00697465 8
2186 72 C 29.7958 7.75947 11.7874 -0.000408101 0.000793595 -0.00259898 8
2187 73 C 30.8885 7.36972 10.7635 0.00559089 -0.000788248 7.60668e-05 8
2188 74 C 30.5379 7.87567 9.35879 -0.000961781 4.13513e-05 -0.0014883 8
2189 75 C 31.2496 7.04577 8.26259 0.00318945 0.000236142 -0.00286316 8
2190 76 C 31.0347 7.48553 6.81231 -0.00114121 0.000663612 0.00070421 8
2191 77 C 29.6001 7.26109 6.28112 -0.00708993 -0.000388619 -0.00119811 8
2192 78 C 29.4087 7.90602 4.84402 0.000966339 0.0018701 0.00123113 8
2193 79 C 30.3123 7.20854 3.78983 -0.000980025 0.00308517 0.00206602 8
2194 80 C 30.038 7.66473 2.33541 -0.003698 -0.00214463 -0.00312695 8
2195 81 C 31.0803 7.05357 1.39899 0.00423165 -0.00517643 0.00215981 8
2196 82 C 33.2576 12.8913 14.3541 0.00198 -0.00646404 0.00132494 8
2197 83 C 33.1842 12.0392 13.1005 0.00187239 0.00485152 -0.00320765 8
2198 84 C 32.9338 12.8218 11.8196 0.00227877 0.00320581 -0.00112087 8
2199 85 C 34.0902 13.6753 11.3506 -0.0012316 0.000547867 0.0008006 8
2200 86 C 33.8228 14.2708 9.94966 -0.00497462 0.00315163 -0.000691585 8
2201 87 C 34.3432 13.3451 8.80208 0.00402836 0.00166465 0.00224178 8
2202 88 C 34.0132 13.9878 7.45104 0.0013438 0.000700755 -0.000811652 8
2203 89 C 34.764 13.264 6.30961 -0.00138998 0.000583964 -0.00280099 8
2204 90 C 34.437 13.8786 4.98915 -0.000233978 -0.0022861 0.000191957 8
2205 91 C 35.2267 13.3858 3.76908 0.000280637 -0.000371068 -0.00106505 8
2206 92 C 34.5873 13.9354 2.46558 -0.00209321 -0.00146072 -0.001021 8
2207 93 C 35.3932 13.5326 1.21951 0.00277778 -0.00777713 0.000175938 8
2208 94 C 23.2756 10.3115 33.0447 0.0029026 -0.00323749 -0.00104206 8
2209 95 C 23.3532 10.0825 34.5222 -0.00335435 -0.00223842 -0.0017884 8
2210 96 C 22.122 10.7532 35.1881 0.000136331 0.00324275 -0.000734506 8
2211 97 C 21.6167 10.1801 36.4754 -0.000686954 -0.00297998 -0.000220712 8
2212 98 C 22.4249 10.3169 37.7848 -0.00551849 -0.00300921 0.0017361 8
2213 99 C 21.5328 10.0893 39.041 -0.00216572 -0.000847397 -0.000657189 8
2214 100 C 22.257 9.93935 40.383 -0.00210471 -0.000195249 -0.000756732 8
2215 101 C 21.2507 9.80276 41.5415 0.00220499 0.000530086 3.70731e-05 8
2216 102 C 21.8958 9.75905 42.9528 -0.00290984 -0.00208496 0.000534089 8
2217 103 C 20.8317 9.69581 44.0557 0.00183484 0.00333044 -0.0040808 8
2218 104 C 21.3741 9.59679 45.5085 -0.00090784 0.00203894 -0.000605858 8
2219 105 C 21.9564 10.936 45.9749 0.00168332 0.000138982 0.000104606 8
2220 106 C 28.5864 14.1041 33.6492 0.00222347 -0.000282881 0.00171158 8
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2224 110 C 29.154 15.3196 38.5581 -0.00430404 0.00363976 -0.00292608 8
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2226 112 C 28.9972 15.2444 41.1266 0.000814789 -0.000909509 0.00362056 8
2227 113 C 29.6119 14.9404 42.4689 0.0012246 0.000213825 -0.00224519 8
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2229 115 C 29.3621 14.8858 44.9784 0.00445985 0.000772825 -0.00563532 8
2230 116 C 28.5224 15.1987 46.2408 -0.00105651 -0.000756514 -0.00142133 8
2231 117 C 29.1326 14.4775 47.4361 -0.00129825 -0.000473608 0.000627173 8
2232 118 C 29.5714 7.53823 33.81 -0.000673641 -0.00156228 0.000688197 8
2233 119 C 29.3037 6.09763 34.2312 0.00221641 0.00432942 0.00419021 8
2234 120 C 29.9923 5.66754 35.5221 -6.47532e-06 -0.00182132 -0.00163264 8
2235 121 C 29.4387 6.29569 36.8104 -0.0005916 0.000848955 -0.00148507 8
2236 122 C 30.2256 5.95951 38.0959 0.000810863 -0.00088703 -0.000107472 8
2237 123 C 29.3567 6.11075 39.3572 0.00243658 0.000865209 0.00254444 8
2238 124 C 30.121 6.02927 40.6692 0.00313069 0.00167778 -0.00118226 8
2239 125 C 29.2516 6.03814 41.9327 0.00112151 0.000781885 0.00101897 8
2240 126 C 30.049 5.97699 43.2539 -0.000107231 -0.00366761 0.00154723 8
2241 127 C 29.1483 5.84096 44.5327 -0.00204289 -0.000624083 0.00320639 8
2242 128 C 29.9695 5.6135 45.8444 0.00294241 0.00110745 -0.00180857 8
2243 129 C 29.0997 5.54558 47.1046 -0.00231973 -0.000308762 0.000774296 8
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2275 161 H 34.5816 10.8398 10.5817 -0.00250549 0.00198166 0.0201115 8
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2298 184 H 31.8584 7.80485 11.0343 0.00835853 -0.000978008 -0.0095029 8
2299 185 H 31.0398 6.28445 10.7116 -0.000730926 -0.00199798 0.00718607 8
2300 186 H 29.4651 7.84012 9.13248 -0.00187696 0.00325369 0.0023693 8
2301 187 H 30.8009 8.93539 9.25283 0.00659738 -0.00160506 0.000922509 8
2302 188 H 32.3086 7.20432 8.501 0.00591245 -0.0050987 -0.0115099 8
2303 189 H 31.0117 5.98054 8.37256 -0.00503423 0.00265917 0.00283645 8
2304 190 H 31.2803 8.5522 6.73939 0.00468201 -0.00152454 -0.0116558 8
2305 191 H 31.7706 7.0149 6.14875 -0.0016767 0.00638022 -0.00396361 8
2306 192 H 29.3764 6.18729 6.29871 -0.0106175 0.000363404 -0.000118249 8
2307 193 H 28.8459 7.74501 6.91386 0.00368097 0.00899114 0.00443665 8
2308 194 H 28.3735 7.83964 4.48693 -0.00232479 -0.00399285 0.011904 8
2309 195 H 29.6615 8.97349 4.84421 0.00171675 0.00167082 0.0179521 8
2310 196 H 31.3572 7.45644 4.01389 0.0030972 -0.014363 0.00226608 8
2311 197 H 30.1805 6.12068 3.84084 0.00732599 0.002153 0.00348488 8
2312 198 H 29.0169 7.36554 2.06852 -0.00165553 -0.0101118 -0.00200033 8
2313 199 H 30.0757 8.75593 2.2292 0.00313311 -0.000861554 0.0126163 8
2314 200 H 31.0308 5.95915 1.45564 0.0188716 -0.0055875 0.00699763 8
2315 201 H 30.9203 7.31843 0.346534 0.000662172 -0.00297013 0.00326186 8
2316 202 H 32.0785 7.347 1.7468 0.00894622 -0.00733654 -0.00960462 8
2317 203 H 33.5041 13.9436 14.1665 -0.00192186 -0.00606516 -0.00157411 8
2318 204 H 34.0358 12.3904 14.9431 0.00737546 0.000328587 -5.27606e-05 8
2319 205 H 34.0946 11.4392 12.98 -0.0140987 -0.0223905 0.0115162 8
2320 206 H 32.4033 11.281 13.2374 0.00821293 -0.00308281 -0.0109229 8
2321 207 H 32.6568 12.1732 10.9794 0.00383636 0.00743977 -0.00491574 8
2322 208 H 32.0463 13.4417 11.997 0.00999845 0.0118415 0.00723414 8
2323 209 H 34.2676 14.4514 12.1054 -0.00898364 0.0130959 -0.0103229 8
2324 210 H 35.0209 13.0956 11.3164 -0.00416925 -0.00436509 0.00425791 8
2325 211 H 32.7339 14.3208 9.82621 -0.00653782 0.0048994 0.0138295 8
2326 212 H 34.2805 15.266 9.89042 -0.00313838 0.00163453 -0.0118965 8
2327 213 H 35.4368 13.2775 8.85475 0.00455172 0.000693299 -0.00964783 8
2328 214 H 33.9349 12.3357 8.93584 0.00943113 0.00112507 0.0148722 8
2329 215 H 32.9314 13.9498 7.27305 -0.000396014 -0.016297 0.0135125 8
2330 216 H 34.2226 15.0643 7.47576 0.00879676 -0.000767415 -0.000650005 8
2331 217 H 35.848 13.3651 6.44381 -0.00410858 0.00817092 0.0134044 8
2332 218 H 34.4092 12.2268 6.3536 -0.0190186 0.00707185 0.00958572 8
2333 219 H 33.3814 13.632 4.82131 -0.00112266 0.00193125 -0.000431231 8
2334 220 H 34.4946 14.9726 5.04638 0.00706949 -0.00328742 0.011648 8
2335 221 H 36.2676 13.7253 3.83789 -0.00185116 0.00532251 0.00302281 8
2336 222 H 35.2983 12.2914 3.7896 0.00818335 0.000267275 0.00644104 8
2337 223 H 33.5771 13.5115 2.40947 -0.000156083 -0.00565157 -0.00425429 8
2338 224 H 34.5175 15.0286 2.52435 -0.00638461 -0.0020534 0.00491682 8
2339 225 H 36.4345 13.8325 1.39066 0.00134381 -0.00706516 0.00768883 8
2340 226 H 35.4018 12.4476 1.058 -0.00482373 -0.00798023 0.00119183 8
2341 227 H 35.0391 14.0438 0.315795 -0.00302792 0.014059 0.0148059 8
2342 228 H 22.8676 11.3147 32.8704 -0.00757058 -0.00711113 0.00122794 8
2343 229 H 22.6267 9.59902 32.5206 0.00170287 -0.00316905 0.000356636 8
2344 230 H 23.4005 9.00242 34.7081 -0.0104309 -0.00153994 0.00405408 8
2345 231 H 24.2767 10.5696 34.8588 -0.000105103 -0.00605577 -0.00518631 8
2346 232 H 22.4288 11.7951 35.3418 -0.00157408 0.00269599 0.00636776 8
2347 233 H 21.2238 10.7156 34.5593 -0.00216454 0.000878985 0.00267554 8
2348 234 H 20.642 10.6501 36.6557 -0.00331523 -0.0045772 -0.0102773 8
2349 235 H 21.3788 9.12228 36.3083 -0.00941855 0.00169057 -0.0172845 8
2350 236 H 23.2446 9.58792 37.7736 0.00244306 0.00601133 -0.00269529 8
2351 237 H 22.8914 11.3096 37.765 -0.00151117 -0.00502154 -0.00577515 8
2352 238 H 20.8573 10.9523 39.0895 -0.00180719 -0.000874759 0.0046845 8
2353 239 H 20.9247 9.21227 38.7871 -0.0147627 0.00809756 -0.00139143 8
2354 240 H 22.9076 9.05677 40.3475 0.00564091 0.00487021 0.0153192 8
2355 241 H 22.92 10.8016 40.5262 -0.00511652 0.00116702 0.00495675 8
2356 242 H 20.6547 10.7187 41.445 0.00189416 -0.00135987 -0.0162768 8
2357 243 H 20.5582 8.96881 41.373 0.000188357 0.00231286 -0.000504932 8
2358 244 H 22.493 8.84 42.9988 -0.00540683 -0.00406602 -0.00654896 8
2359 245 H 22.5816 10.5827 43.1867 0.0134706 -0.016142 0.00210313 8
2360 246 H 20.1205 10.5302 44.0198 -0.00215897 0.000258995 0.00324986 8
2361 247 H 20.266 8.78067 43.8414 0.00292689 0.00163727 0.000274409 8
2362 248 H 20.4915 9.3651 46.1174 0.0016728 -0.00107517 0.00193363 8
2363 249 H 22.1626 8.8436 45.6283 0.000608435 0.00512527 0.0089106 8
2364 250 H 21.1834 11.7127 46.0265 -0.00224719 -0.00464916 0.0132963 8
2365 251 H 22.3788 10.8093 46.9793 0.0106823 0.0031372 -0.0033176 8
2366 252 H 22.7003 11.2456 45.2304 0.0042778 0.00476179 0.00464222 8
2367 253 H 29.4898 14.6372 33.3281 -0.000992712 0.00203877 -0.00347249 8
2368 254 H 27.7446 14.7898 33.4923 0.00771419 0.0052663 -0.0035986 8
2369 255 H 28.0252 13.1169 35.4562 -0.0106814 0.00532845 -0.00054344 8
2370 256 H 29.7611 13.1608 35.1286 -0.00794974 -0.0131557 -0.0137702 8
2371 257 H 29.4821 15.8217 35.5897 -0.00480603 -0.00782094 -0.00904352 8
2372 258 H 27.9839 15.2161 36.3347 -0.00819216 -0.021853 0.00952668 8
2373 259 H 29.6939 13.5318 37.5656 -0.00391101 -0.00161288 0.0061147 8
2374 260 H 30.7782 14.9129 37.2357 -0.00257869 0.0136876 0.0141024 8
2375 261 H 29.2325 16.4028 38.4032 0.000541964 0.00163872 -0.0145494 8
2376 262 H 28.0809 15.099 38.6138 -0.0045259 0.00650281 0.00410362 8
2377 263 H 29.8792 13.7167 39.8788 0.00201916 0.00216943 -0.00152308 8
2378 264 H 30.8377 15.2063 39.9172 -0.00172669 0.000657855 -0.0147661 8
2379 265 H 28.799 16.3219 41.0712 0.0149631 0.00118283 -0.00641455 8
2380 266 H 28.0331 14.7253 41.193 0.00807889 -0.0128374 0.0163276 8
2381 267 H 29.8487 13.8699 42.5048 -0.0160715 -0.00289072 0.0194453 8
2382 268 H 30.577 15.4571 42.54 -0.00638863 0.0136673 0.00313287 8
2383 269 H 28.5633 16.3728 43.6769 -0.000603313 0.000189884 0.0110198 8
2384 270 H 27.729 14.787 43.5815 -0.00524587 0.0088664 -0.00375963 8
2385 271 H 29.5773 13.8115 44.9247 0.00475991 0.000395581 0.00319418 8
2386 272 H 30.3341 15.3835 45.0821 -0.00431584 0.0149423 0.00870026 8
2387 273 H 28.5211 16.2642 46.5019 0.00421419 -0.00273945 0.00678385 8
2388 274 H 27.4928 14.8421 46.114 0.000789297 -0.00519867 -0.00393522 8
2389 275 H 29.101 13.3894 47.2998 0.00275616 -0.00121685 0.00561946 8
2390 276 H 30.1601 14.8144 47.6207 0.00341605 -0.0142035 -0.000612071 8
2391 277 H 28.5963 14.6834 48.3706 -0.00199584 -0.00318717 0.000826398 8
2392 278 H 30.4765 7.53796 33.1903 0.000325534 -0.0109912 0.00213547 8
2393 279 H 29.8168 8.16738 34.6746 -0.0144743 0.00994743 -0.00377189 8
2394 280 H 29.6794 5.44286 33.4353 -0.00234265 0.00210532 0.0038702 8
2395 281 H 28.2276 5.9084 34.3294 -0.000101007 0.0135206 -0.00363639 8
2396 282 H 31.072 5.83033 35.417 -0.00271223 0.0192246 0.00333462 8
2397 283 H 29.9093 4.57864 35.6262 0.00484554 -0.00139076 0.00679954 8
2398 284 H 28.3796 6.03788 36.9341 0.000392401 0.0015083 0.00836296 8
2399 285 H 29.4057 7.3857 36.6912 0.00479698 0.00151129 0.00315611 8
2400 286 H 31.0795 6.64088 38.1963 -0.00167201 0.00349959 -0.00880857 8
2401 287 H 30.5992 4.93161 38.0104 -0.0032545 -0.00247287 0.00120077 8
2402 288 H 28.5346 5.38438 39.3596 0.0057188 -0.00284298 0.000457252 8
2403 289 H 28.8507 7.08399 39.3706 0.0133959 0.00641875 0.0130404 8
2404 290 H 30.863 6.83671 40.7 0.00976346 -0.00415183 -0.00744982 8
2405 291 H 30.7112 5.10469 40.6876 -0.00630294 -0.00418013 0.00714704 8
2406 292 H 28.5422 5.20818 41.8261 -0.00710186 0.00663292 0.0102354 8
2407 293 H 28.6279 6.9406 41.9329 0.013284 0.00918525 -0.00694126 8
2408 294 H 30.7038 6.84792 43.3808 -0.0144621 0.00745206 -0.000790318 8
2409 295 H 30.7061 5.11591 43.0801 0.00661055 0.00358679 -0.00921974 8
2410 296 H 28.4282 5.02235 44.4118 0.00680471 -0.00654146 -0.00923966 8
2411 297 H 28.5705 6.76469 44.6599 -0.00170331 -0.000246488 0.00200217 8
2412 298 H 30.707 6.41254 45.9892 0.0122507 -0.00864626 0.00462794 8
2413 299 H 30.5335 4.68252 45.708 0.00437927 0.00169859 0.000114218 8
2414 300 H 29.7294 5.5829 48.0021 0.00793793 -0.0147379 -0.00581984 8
2415 301 H 28.5471 4.59896 47.1489 -0.00180843 -0.000256404 0.00837223 8
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2417 1 C 32.9641 6.89544 31.041 0.000299599 0.0011463 0.00113173 9
2418 2 C 33.1448 6.85556 29.6716 6.97951e-06 0.0010974 -0.000850387 9
2419 3 C 32.653 5.78849 28.9574 -0.00108945 -0.00106486 0.00297203 9
2420 4 C 32.0923 4.70874 29.6998 0.000609697 -0.00404567 0.00254821 9
2421 5 C 31.9148 4.75806 31.1211 -0.00245455 0.00522439 0.00133138 9
2422 6 C 32.3301 5.89366 31.8097 0.00129762 -0.00454766 0.00276969 9
2423 7 C 27.5069 3.38484 30.3849 -0.0013294 -0.000596353 -0.00107963 9
2424 8 C 27.7691 3.36253 29.0466 -0.0025637 0.00167905 -0.00404064 9
2425 9 C 29.0698 3.31621 28.5502 -0.00485385 0.000230907 -0.00488016 9
2426 10 C 30.1116 3.34699 29.4499 0.00256499 0.00150454 9.66546e-05 9
2427 11 C 29.9098 3.40357 30.8725 0.00279331 0.00188534 -0.00224834 9
2428 12 C 28.5735 3.42477 31.3581 -0.00011277 -0.000350994 -0.00219235 9
2429 13 C 33.204 0.161019 31.4181 -0.00431923 0.00228575 0.00135618 9
2430 14 C 33.4008 0.144824 30.0104 0.000273694 -0.00662397 -0.00093034 9
2431 15 C 32.9019 1.15161 29.2045 0.00200212 -0.00241978 0.00283389 9
2432 16 C 32.2269 2.24975 29.8235 0.00196862 -0.00387567 0.00449381 9
2433 17 C 31.5952 3.41098 29.0229 -0.000864719 0.00266432 0.00671672 9
2434 18 O 32.2354 1.12646 33.428 0.00107891 -0.000437685 0.00338748 9
2435 19 O 28.2416 3.45707 32.7076 -0.00114157 0.00127334 6.97962e-05 9
2436 20 O 32.3014 6.06857 33.2165 -0.00228778 0.000709482 0.00101857 9
2437 21 C 32.5106 1.24052 32.0485 -0.0019406 0.00180435 -0.00100038 9
2438 22 C 31.9379 3.37597 27.5824 -0.00216829 -0.00110685 -0.00114959 9
2439 23 C 32.4826 3.35271 26.4981 0.00342006 0.0016164 -0.00157548 9
2440 24 C 33.2357 3.30949 25.2744 0.00361679 0.000860508 0.000602078 9
2441 25 C 33.9131 2.09953 24.9084 -0.00340375 -0.00206536 -0.00144943 9
2442 26 C 34.727 2.08371 23.77 -0.00363246 0.00516699 -0.000804605 9
2443 27 C 34.9207 3.26833 22.9807 0.00106266 0.000805868 -0.00199136 9
2444 28 C 34.2157 4.44611 23.3645 -0.00254654 -0.000887194 0.00280785 9
2445 29 C 33.4169 4.50539 24.5036 0.000196486 -0.00594508 -0.000800499 9
2446 30 C 35.7163 3.24768 21.7726 -0.0003794 0.00229999 0.00119769 9
2447 31 C 36.2543 3.27024 20.6819 0.00542977 -0.00227619 0.00193625 9
2448 32 C 35.0365 -0.153197 18.2282 -0.000569725 -2.14297e-05 0.00291637 9
2449 33 C 35.3484 -0.185724 16.8916 0.00271018 0.00198727 0.00199599 9
2450 34 C 36.0836 0.836312 16.3074 -0.00352425 -0.00123356 0.00181554 9
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2452 36 C 36.1074 2.00633 18.4802 0.00108329 -0.00431672 0.00131451 9
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2455 39 C 40.4442 3.65379 19.1986 0.00104497 -0.00213679 0.000664641 9
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2457 41 C 39.5429 3.76118 16.9256 0.00138129 0.00042549 -0.000572685 9
2458 42 C 38.2857 3.44547 17.4315 0.00387977 -0.00211684 0.000765756 9
2459 43 C 38.061 3.33199 18.8341 -0.00455818 -0.00273077 -0.00332958 9
2460 44 C 39.1592 3.41102 19.7145 -0.000596966 -0.00232206 0.0018216 9
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2462 46 C 34.9348 6.46937 16.8011 0.00166708 -0.00224507 -0.00159313 9
2463 47 C 35.6338 5.38646 16.2404 -0.00437472 0.00179304 0.00365973 9
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2500 84 C 34.8138 5.56673 12.0377 -0.000709156 -0.00201234 0.00574469 9
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2505 89 C 34.1307 5.16226 5.69974 0.00334839 -0.00324118 0.00131719 9
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2512 96 C 25.3762 3.50254 35.2398 -0.000477083 -0.00378514 -0.000675301 9
2513 97 C 25.328 3.13942 36.7212 0.00508001 -0.00158315 -0.00125476 9
2514 98 C 25.844 4.15533 37.8279 0.00630535 -0.000938688 0.00220481 9
2515 99 C 25.6077 3.48414 39.2393 0.00441801 0.00324923 0.000238604 9
2516 100 C 25.7195 4.30436 40.5111 0.000165175 0.000990487 0.00132961 9
2517 101 C 25.6163 3.39637 41.7513 0.000318243 9.13545e-05 0.00117207 9
2518 102 C 25.744 4.22616 43.0753 -0.00441933 0.0042759 0.000291863 9
2519 103 C 25.7541 3.27825 44.3032 -0.00343263 0.00104543 -0.00597556 9
2520 104 C 25.9224 4.02659 45.6318 -0.00307019 -0.000556021 0.00185686 9
2521 105 C 25.9243 3.03253 46.8026 0.00240114 -0.00232181 -0.00559299 9
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2525 109 C 33.9957 9.15846 37.1047 -0.0037927 0.000341441 0.00074595 9
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2530 114 C 34.2518 8.86231 42.949 0.000763667 0.00332473 -0.00391859 9
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2541 125 C 33.2983 -1.50077 42.2622 0.00186189 -0.000122463 -0.00418634 9
2542 126 C 33.0141 -1.41592 43.7727 -0.00276223 0.000745122 0.000622841 9
2543 127 C 34.1127 -0.586249 44.5192 -0.00561396 0.00209478 0.00101151 9
2544 128 C 34.2046 -0.956535 45.9965 -0.0011896 -0.00102153 0.0019178 9
2545 129 C 33.09 -0.375317 46.891 -0.00326903 -0.00294114 -0.00254994 9
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2675 259 H 34.8684 9.8094 37.2392 -0.00967596 0.00861182 -0.00120379 9
2676 260 H 33.0859 9.76023 37.221 0.00618797 0.0143792 0.00593093 9
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2679 263 H 35.0018 9.22397 39.7856 -0.00262271 0.0130156 -0.00606667 9
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2682 266 H 34.4645 6.95223 40.8472 -0.00183537 -0.00917775 0.00447904 9
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2685 269 H 35.0868 8.15617 43.0358 0.0019176 0.00532523 0.00120116 9
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2720 2 C 37.2751 13.4888 29.7115 0.00388066 0.000799261 -0.000911043 10
2721 3 C 36.7222 12.3944 29.0784 -0.00437061 -0.00299906 -0.00125397 10
2722 4 C 36.0544 11.3753 29.8177 0.00404259 0.00430753 -0.00575608 10
2723 5 C 35.9478 11.4423 31.24 0.00231938 0.0043489 0.00209159 10
2724 6 C 36.4542 12.5718 31.9106 0.000458563 0.00161446 -0.00265467 10
2725 7 C 31.3823 10.3689 30.7374 0.000690814 -0.0043805 0.00146708 10
2726 8 C 31.5962 10.2541 29.3326 -0.00236326 0.00375114 0.000558847 10
2727 9 C 32.8718 10.1518 28.8102 -0.000953532 0.00356115 -0.000820545 10
2728 10 C 33.9811 10.2064 29.6504 -0.00175821 0.00267701 0.000949987 10
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2730 12 C 32.4649 10.4354 31.6204 -0.00122628 -0.0017517 0.00178273 10
2731 13 C 37.0544 6.81768 31.3687 -0.00304394 0.002658 0.00144994 10
2732 14 C 37.2922 6.85745 29.9941 0.0010682 -0.00050374 0.000509 10
2733 15 C 36.7855 7.93434 29.2483 0.00108988 -0.00212008 0.00162202 10
2734 16 C 36.015 8.94315 29.9021 -0.00313106 -0.00140304 0.000206177 10
2735 17 C 35.4298 10.1495 29.1751 -0.00156304 0.0046366 -0.00460738 10
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2739 21 C 36.3958 7.88938 32.0495 -0.00127928 0.00197054 -0.00115622 10
2740 22 C 35.7252 10.0743 27.7278 -0.00335739 -0.00103135 -0.00200086 10
2741 23 C 36.1875 10.0283 26.5956 -0.00368325 -0.00169717 -0.00348285 10
2742 24 C 37.0628 10.0208 25.4299 0.00189829 0.00320513 -0.005523 10
2743 25 C 36.7352 9.21409 24.3495 -0.00318635 0.00446277 -0.00128688 10
2744 26 C 37.5756 9.25213 23.2323 -0.00026267 -0.00175154 -0.00366602 10
2745 27 C 38.7671 10.0124 23.2372 -0.00268257 0.0038095 0.00181301 10
2746 28 C 39.1264 10.7873 24.3651 0.00104063 0.0013825 0.002775 10
2747 29 C 38.23 10.8002 25.443 -0.00175616 -0.00120822 0.000800862 10
2748 30 C 39.5527 10.0884 22.0727 -0.00017231 -0.00188461 0.00424957 10
2749 31 C 40.0258 10.1173 20.9483 0.00260508 -0.00244891 0.00344255 10
2750 32 C 38.5526 6.83371 18.5615 -0.00482585 -0.00327539 0.000760962 10
2751 33 C 38.7457 6.91123 17.1544 0.0024179 0.000588192 0.00210784 10
2752 34 C 39.5291 7.91647 16.5771 0.00181198 -0.000200763 -0.00349904 10
2753 35 C 40.0682 8.89988 17.3986 -0.00239396 0.00285756 -0.0001192 10
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2755 37 C 39.1373 7.81304 19.3701 -1.87363e-06 0.00033874 -0.00240786 10
2756 38 C 40.4064 10.086 19.5447 -0.00198363 -0.00095532 0.00209749 10
2757 39 C 44.2858 10.1485 19.633 0.000280523 0.00150226 0.00107844 10
2758 40 C 44.5597 10.088 18.2847 -0.000239355 -0.00219761 0.00130518 10
2759 41 C 43.4962 10.0531 17.3433 -0.0050966 0.00406855 -0.00170518 10
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2761 43 C 41.9146 10.0593 19.2034 0.00192303 0.00205067 0.00256408 10
2762 44 C 42.9675 10.1181 20.1139 0.000548349 0.000209502 0.000165224 10
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2764 46 C 39.4644 13.5726 17.2115 0.00515684 0.00320033 -0.000669309 10
2765 47 C 40.0012 12.4446 16.5979 0.00265387 -0.00366915 -4.14947e-05 10
2766 48 C 40.2443 11.3501 17.4281 -0.00372316 0.00269032 0.000608353 10
2767 49 C 40.9312 10.0438 16.9452 0.00322448 -0.00254785 0.00015602 10
2768 50 C 39.9209 11.3544 18.7948 -0.00223995 0.0015517 -0.000953676 10
2769 51 C 39.3711 12.4848 19.3924 -0.00536952 0.000838268 0.00456797 10
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2774 56 C 35.8925 8.96317 31.3132 0.00550448 -0.00203915 0.00295479 10
2775 57 C 44.8394 9.50384 15.3416 -0.00165423 -0.000957548 -0.0014435 10
2776 58 C 44.7538 9.67668 13.7922 -0.0029775 -0.000971899 -0.00145302 10
2777 59 C 44.142 8.51513 12.9974 -0.00193646 -0.000135494 -0.00225044 10
2778 60 C 42.6062 8.57912 12.7992 0.00372141 0.00139516 0.00275452 10
2779 61 C 42.1806 9.55493 11.6632 0.00126694 0.00504021 0.000586243 10
2780 62 C 42.7567 9.20625 10.27 -0.00395269 0.000448167 -0.000421573 10
2781 63 C 41.9566 9.91843 9.18345 0.00469812 0.000937993 -0.000267601 10
2782 64 C 42.6356 9.98231 7.80013 0.000758004 0.00183618 -0.0014633 10
2783 65 C 41.604 10.4139 6.73153 -0.0061444 -0.00233992 -0.00498737 10
2784 66 C 42.2216 10.7799 5.36677 0.0036827 0.00466455 -0.00313018 10
2785 67 C 42.3851 9.55604 4.45223 0.000886179 0.00349913 0.000133001 10
2786 68 C 42.762 9.95445 3.02644 0.00069489 -0.00287439 -0.00133013 10
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2788 70 C 39.1519 7.02803 14.3513 -0.00454649 0.00162019 0.00509349 10
2789 71 C 39.0289 7.69812 12.952 0.00293619 -0.0028604 -0.00392241 10
2790 72 C 38.7326 6.79129 11.7652 0.000427233 0.00199885 -0.00357996 10
2791 73 C 38.6986 7.5595 10.4559 -0.00384932 0.00492361 0.00186085 10
2792 74 C 38.3241 6.70707 9.25523 0.00130966 0.00177669 -0.000753702 10
2793 75 C 38.3051 7.51041 7.94939 -0.00127751 0.00206644 0.00182601 10
2794 76 C 37.9592 6.65636 6.71148 -0.000869098 -0.000169859 0.00351585 10
2795 77 C 38.2013 7.48654 5.41785 -0.000120581 -5.00608e-05 4.39013e-05 10
2796 78 C 38.3345 6.54047 4.2105 3.55805e-05 0.00135405 -0.000725497 10
2797 79 C 38.855 7.22191 2.95857 0.00345999 0.000682506 -0.00507727 10
2798 80 C 37.8445 8.00707 2.12428 -0.00308157 -0.00227878 -0.00392262 10
2799 81 C 36.9094 7.08613 1.39185 0.000991441 0.000689412 0.00184315 10
2800 82 C 40.6981 13.3847 14.4925 0.00101775 0.000178407 -0.00119666 10
2801 83 C 41.1511 12.9139 13.1137 0.00268161 -0.00184685 0.00176191 10
2802 84 C 41.3831 14.1714 12.2119 0.00277283 -0.00219568 -0.00119532 10
2803 85 C 41.7191 13.8694 10.7072 0.00129903 -0.00381087 0.000516455 10
2804 86 C 42.065 15.1686 9.93829 -0.000359232 -0.00102926 0.000633115 10
2805 87 C 42.4019 15.0062 8.43949 -0.00472922 -0.00154277 -0.00191466 10
2806 88 C 41.3006 14.3709 7.57442 0.00165911 0.0019581 -0.000412556 10
2807 89 C 41.3443 14.6869 6.04206 -0.00132487 0.000276915 -0.0010096 10
2808 90 C 42.6864 14.3994 5.33591 0.00177538 -0.00303649 -0.00149338 10
2809 91 C 42.5751 14.0404 3.80729 -0.000765104 -0.00163724 0.00365951 10
2810 92 C 41.4321 14.7747 3.02454 0.00365301 0.00334949 0.00129993 10
2811 93 C 41.471 14.3036 1.54891 0.000536486 -0.00203885 -0.000489636 10
2812 94 C 30.8777 10.7106 33.5213 -0.00164785 0.00216256 -0.000801909 10
2813 95 C 31.0217 10.7218 35.0683 -5.18854e-05 0.00858211 -0.0015252 10
2814 96 C 29.8376 10.4752 36.0704 -0.000195404 0.000271032 -0.00470111 10
2815 97 C 30.513 10.126 37.3928 0.00225255 -0.00311821 0.00306313 10
2816 98 C 29.5649 10.0809 38.5942 -1.67091e-05 0.00160007 -0.00120811 10
2817 99 C 30.387 9.66739 39.8281 0.00472474 -0.000897433 -8.40062e-05 10
2818 100 C 29.6107 9.5896 41.1319 0.0027092 0.000281343 0.000820436 10
2819 101 C 29.335 10.9722 41.7824 0.00320555 0.000555076 0.00144932 10
2820 102 C 29.6733 11.0336 43.2703 0.000337988 0.00384557 -0.00337545 10
2821 103 C 28.7307 10.1487 44.0541 0.00106048 -0.000160702 0.00349498 10
2822 104 C 28.8965 10.3129 45.5882 0.000313661 0.00427563 -0.00426741 10
2823 105 C 30.2487 9.75958 46.058 -0.00272907 0.00218482 0.00497811 10
2824 106 C 37.0896 13.9815 33.8393 0.000396994 0.0013739 0.00350338 10
2825 107 C 37.0114 14.1865 35.3642 0.000515539 -1.02197e-05 -0.00640874 10
2826 108 C 37.7663 15.4166 35.8502 -0.00355083 0.000575665 -0.00178719 10
2827 109 C 37.4181 15.8355 37.3161 -0.00362434 -0.000516449 3.21014e-05 10
2828 110 C 37.2814 14.6597 38.32 -0.000875955 -0.00352639 -0.001367 10
2829 111 C 36.6736 14.9985 39.6869 0.000809888 -0.000676619 -0.00424898 10
2830 112 C 37.573 15.8087 40.6095 -0.00342053 -0.000881585 0.000260746 10
2831 113 C 36.9274 15.9696 42.0035 -7.03412e-05 0.00247795 0.000111653 10
2832 114 C 36.9311 14.66 42.8082 0.00331569 -0.000494673 0.00165572 10
2833 115 C 36.4653 14.8217 44.2936 0.00118707 0.000275786 -0.00108497 10
2834 116 C 37.5298 15.4189 45.1979 -0.00447621 0.000579361 -0.00119792 10
2835 117 C 37.0914 15.736 46.6493 -0.000852527 -0.00555453 -0.00232354 10
2836 118 C 37.0641 6.73245 34.2027 0.00431216 0.000966106 0.0032685 10
2837 119 C 36.7932 6.69529 35.7384 -0.00124886 -0.00197743 -0.00523454 10
2838 120 C 37.6315 5.65771 36.4702 0.00149324 0.00130425 -0.00241877 10
2839 121 C 37.3685 5.67709 38.011 -0.000182055 0.00285992 0.00284931 10
2840 122 C 38.1314 6.82295 38.7117 -0.00119921 -0.0014634 0.000721687 10
2841 123 C 37.7565 6.93055 40.2339 0.00154052 0.00143765 0.00258483 10
2842 124 C 38.0343 5.72537 41.1744 -0.00229268 -0.000112265 0.00120619 10
2843 125 C 37.1305 5.6529 42.4106 -0.00362158 -0.00370681 -5.52762e-05 10
2844 126 C 37.6769 6.39722 43.6665 0.00122185 0.000365447 -0.000878602 10
2845 127 C 36.8469 6.06288 44.9189 -0.00106499 -0.00383269 -0.00013237 10
2846 128 C 36.9966 7.05505 46.0652 0.000233506 0.00546667 -0.00432589 10
2847 129 C 38.3885 7.0992 46.6175 0.0058131 -0.000318269 0.000501607 10
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2850 132 H 37.7132 14.3 29.1375 0.0146377 -0.00239042 0.0028209 10
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2853 135 H 30.7398 10.2617 28.6649 -0.00531762 -0.00969637 0.00419795 10
2854 136 H 32.9888 10.0304 27.7373 0.000350227 0.011475 -0.0015705 10
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2856 138 H 37.7756 6.04473 29.46 0.0148673 0.00200853 0.00922275 10
2857 139 H 36.9003 7.86658 28.1706 0.00727541 -0.00438322 0.00242356 10
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2860 142 H 37.9854 6.01338 18.9913 0.0189907 -0.0182399 0.00359749 10
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2865 147 H 42.8101 10.2263 21.183 0.00704425 -0.00211386 0.00136386 10
2866 148 H 38.7039 14.5079 19.0753 0.000601471 0.000218573 -0.00307795 10
2867 149 H 39.3254 14.4587 16.5992 -0.00964105 -0.00408632 -0.00785641 10
2868 150 H 41.1574 10.0654 15.872 -0.00445714 0.0112365 -0.00120659 10
2869 151 H 39.2067 12.5319 20.4649 0.0120286 -0.0080343 0.00763804 10
2870 152 H 34.983 10.2936 32.9028 0.00621359 -0.0047272 0.000799269 10
2871 153 H 45.7376 10.0625 15.6324 0.00682003 -0.00993674 -0.0102851 10
2872 154 H 45.0013 8.46399 15.6513 0.00265761 -0.00101158 -0.00386956 10
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2876 158 H 44.6914 8.43556 12.0512 0.000525011 -0.00900911 -7.67829e-05 10
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2886 168 H 43.4846 10.6768 7.81302 -0.00720627 0.0112968 0.0119926 10
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2899 181 H 40.033 8.11154 12.7968 -0.00337669 0.0114781 -0.00640815 10
2900 182 H 39.4695 5.98048 11.7102 -0.0101443 -0.00755514 -0.00484132 10
2901 183 H 37.7802 6.28072 11.954 -0.00457644 0.00868717 -0.0108067 10
2902 184 H 37.9959 8.39603 10.5548 -0.00535518 0.00429071 -0.00353092 10
2903 185 H 39.6716 8.04228 10.3022 -0.00383108 0.00876531 0.0139763 10
2904 186 H 39.0164 5.86176 9.1578 0.00243943 0.00278489 -0.00144362 10
2905 187 H 37.3543 6.23259 9.44968 0.00206653 0.0051229 0.0112023 10
2906 188 H 37.6178 8.36199 8.02581 -0.00700086 -0.00099102 -0.0156959 10
2907 189 H 39.3143 7.90581 7.78012 -0.00392924 0.00418089 -0.00910167 10
2908 190 H 38.5785 5.75086 6.7037 0.0114663 0.00828898 0.00271298 10
2909 191 H 36.9251 6.29115 6.73458 0.000532924 -0.00448008 -0.00155647 10
2910 192 H 37.3876 8.20694 5.26839 -0.0118416 -0.012624 0.0032235 10
2911 193 H 39.1172 8.07828 5.53767 0.00310855 -0.00632291 0.00637059 10
2912 194 H 39.1353 5.83558 4.46606 0.00101338 -0.0015792 -0.0118623 10
2913 195 H 37.4231 5.94975 4.05647 0.00671964 -0.00480735 -0.0166118 10
2914 196 H 39.6223 7.9434 3.26552 0.00464255 -0.00560837 0.00674543 10
2915 197 H 39.3296 6.4828 2.30137 0.0065823 0.01016 -0.0134937 10
2916 198 H 37.3001 8.72626 2.7487 0.00369881 -0.000153524 -0.000457129 10
2917 199 H 38.428 8.57972 1.3929 0.010834 -0.0211751 -0.00764495 10
2918 200 H 37.4878 6.45381 0.70698 -0.0043193 -0.00180597 -0.000341668 10
2919 201 H 36.4102 6.41184 2.09866 0.0188856 0.000667361 0.0144797 10
2920 202 H 36.1575 7.59005 0.772039 -0.000621064 0.0060323 0.00816344 10
2921 203 H 39.8279 14.0446 14.3887 -0.00969585 -0.0160422 -0.0145626 10
2922 204 H 41.4852 13.9323 15.0254 -0.00551781 0.00814165 0.000284205 10
2923 205 H 41.9818 12.1987 13.1586 0.00575393 0.00172955 0.00163113 10
2924 206 H 40.4815 12.248 12.5554 0.00672203 -0.00469563 0.00027839 10
2925 207 H 40.4459 14.7415 12.2001 0.0047415 0.000927824 -0.00731438 10
2926 208 H 42.1636 14.8255 12.6198 0.0111321 -0.0112382 -0.00268579 10
2927 209 H 42.5172 13.1169 10.6883 0.0055998 0.000509558 0.00912794 10
2928 210 H 40.8564 13.4654 10.1633 0.00225692 0.00510254 -0.00766905 10
2929 211 H 41.2432 15.8926 10.0004 0.00410646 0.00412338 -0.000321941 10
2930 212 H 42.9351 15.6142 10.436 -0.00490698 0.00860134 -5.4146e-05 10
2931 213 H 42.6574 16.0024 8.0576 0.00427475 -0.00128251 0.00477531 10
2932 214 H 43.2834 14.3689 8.29695 -0.00285071 0.00274655 -0.00950867 10
2933 215 H 41.3985 13.2877 7.71746 -0.00136026 0.001734 -5.59601e-05 10
2934 216 H 40.2967 14.6375 7.92722 0.00324521 0.0114671 -0.00307743 10
2935 217 H 40.5468 14.0536 5.63406 -0.00449604 0.00285132 0.00118175 10
2936 218 H 41.0334 15.7231 5.86054 0.0078858 0.00182126 -0.00793233 10
2937 219 H 43.3009 15.2855 5.5377 -0.000541163 0.00159943 -0.0149188 10
2938 220 H 43.2021 13.5595 5.81753 0.0108659 0.00133014 -0.00361 10
2939 221 H 43.543 14.2965 3.35907 -0.0123286 0.0103926 -0.0143715 10
2940 222 H 42.5152 12.9556 3.65575 0.0151659 -0.00277413 0.0053845 10
2941 223 H 40.4607 14.5418 3.47801 0.00252834 0.00321849 -0.00118372 10
2942 224 H 41.5537 15.8613 3.1138 -0.00933102 0.00629507 -0.0173703 10
2943 225 H 42.4173 14.5521 1.05265 -0.00964872 0.0049923 -0.0164473 10
2944 226 H 41.3344 13.2162 1.50144 0.0195028 -0.00454792 0.00243515 10
2945 227 H 40.6665 14.8005 0.992821 -0.00714205 -0.0126914 0.00111307 10
2946 228 H 30.4033 11.6218 33.1365 -0.00183817 0.00377014 0.00325572 10
2947 229 H 30.2132 9.91781 33.1562 0.000609218 0.00287723 -0.00648042 10
2948 230 H 31.8057 9.98998 35.2989 -0.00451399 0.00353977 -0.0023453 10
2949 231 H 31.3624 11.7231 35.3596 0.0111542 0.000980858 0.0114251 10
2950 232 H 29.2079 11.3664 36.1827 -0.0129929 -0.00957653 0.00156894 10
2951 233 H 29.1985 9.6836 35.6602 -0.000922635 -0.000334339 -0.00237896 10
2952 234 H 30.9832 9.13878 37.3048 -0.0056284 -0.00803612 0.0160401 10
2953 235 H 31.3083 10.86 37.5722 0.00285146 -0.00275718 -0.00104063 10
2954 236 H 29.0554 11.0323 38.7906 0.00735354 0.00727188 -0.00967211 10
2955 237 H 28.7722 9.35969 38.3602 -0.0115795 0.0113395 0.00791997 10
2956 238 H 30.8248 8.67479 39.6653 0.00450957 -0.00242442 0.00856453 10
2957 239 H 31.2113 10.3689 40.0066 0.00604451 -8.39859e-05 -0.0094519 10
2958 240 H 28.7196 8.97327 40.9601 0.00651286 -0.00722082 0.00795816 10
2959 241 H 30.2073 9.05065 41.8782 0.00415539 -0.00294552 -0.00268104 10
2960 242 H 29.9017 11.752 41.2588 -0.00106711 -0.00224175 -0.00734522 10
2961 243 H 28.2787 11.2164 41.615 0.00208514 -0.000256296 0.0073729 10
2962 244 H 30.7223 10.7658 43.4475 -0.00521627 -0.00921255 0.00974816 10
2963 245 H 29.5688 12.0512 43.6667 -0.0125604 0.00576223 -0.0117571 10
2964 246 H 27.6953 10.3864 43.7803 0.000238668 0.0022697 0.00873458 10
2965 247 H 28.8211 9.10541 43.7273 -0.00873893 0.000414296 -0.00111802 10
2966 248 H 28.8358 11.3757 45.8533 -0.0141734 0.00369246 -0.00522004 10
2967 249 H 28.0665 9.86849 46.1513 -0.00103726 -0.00422795 -0.0130158 10
2968 250 H 30.2887 9.77828 47.1541 0.0165872 0.00754445 0.00415149 10
2969 251 H 30.4054 8.73452 45.7001 -0.0158032 0.00105126 0.00253436 10
2970 252 H 31.0541 10.3523 45.6069 -0.0133173 0.0204958 0.0101602 10
2971 253 H 38.1453 13.8333 33.5807 -0.00283539 -0.00581064 -0.00562545 10
2972 254 H 36.7274 14.8976 33.3565 0.000781494 -0.0010258 -0.00134296 10
2973 255 H 35.9667 14.2962 35.6804 -0.00235079 -0.010702 -0.012141 10
2974 256 H 37.4583 13.3189 35.865 -0.00862679 -0.00682984 -0.010079 10
2975 257 H 38.8435 15.3304 35.6613 -0.0022226 0.000783642 0.0057409 10
2976 258 H 37.4874 16.3158 35.2873 0.00265894 -0.00197724 -0.00890532 10
2977 259 H 38.164 16.5316 37.7193 -0.00492565 0.00844838 -0.0130993 10
2978 260 H 36.4441 16.3401 37.3143 0.000776816 0.00791702 -0.0103834 10
2979 261 H 36.6188 13.9187 37.8558 0.00552007 0.000997125 -0.0177665 10
2980 262 H 38.2734 14.2154 38.4681 -0.00329504 -0.00582683 0.00791796 10
2981 263 H 35.7271 15.5276 39.5207 -0.001778 -0.00469032 -0.00229407 10
2982 264 H 36.414 14.0396 40.1523 -0.00468131 0.000776984 -0.00431386 10
2983 265 H 38.5376 15.3194 40.7924 -0.00197598 0.00151469 -0.000951015 10
2984 266 H 37.7778 16.7646 40.1119 -0.000645191 -0.0003919 0.00234697 10
2985 267 H 37.3558 16.8036 42.5729 0.0144075 0.00178497 -0.00980351 10
2986 268 H 35.8698 16.2376 41.8894 -0.00217801 -0.00749833 -0.00380647 10
2987 269 H 36.3292 13.896 42.3008 -0.0121382 0.012322 0.000725453 10
2988 270 H 37.9619 14.285 42.7983 0.00548885 0.00547087 0.0017928 10
2989 271 H 35.591 15.4841 44.2805 -0.0116271 -0.0165339 0.00487453 10
2990 272 H 36.1447 13.8651 44.7244 0.00203711 0.00186436 0.00307881 10
2991 273 H 38.3564 14.7053 45.3028 -0.00904938 -0.00542734 -0.00611477 10
2992 274 H 38.0032 16.2818 44.7135 -0.000238567 -0.0127874 -0.0209311 10
2993 275 H 36.8919 14.8233 47.2243 0.0111973 -0.00747142 -0.00119773 10
2994 276 H 37.9346 16.2757 47.0977 -0.00101576 0.00704539 -0.0171081 10
2995 277 H 36.2227 16.3924 46.7832 0.00884256 0.00832576 -0.00750015 10
2996 278 H 36.793 5.73454 33.8365 0.0104961 -1.01019e-05 0.00135458 10
2997 279 H 38.1426 6.87825 34.0654 0.00551806 -0.00284675 0.00867195 10
2998 280 H 35.7323 6.45615 35.8825 0.000730422 -0.00834913 -0.0013103 10
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3001 283 H 37.4207 4.65008 36.0911 -0.00432621 -0.000129341 0.00460632 10
3002 284 H 37.733 4.74392 38.4579 -0.000930174 -0.00151436 -0.00570012 10
3003 285 H 36.3008 5.7986 38.2313 -0.00266399 0.00223397 -0.00883866 10
3004 286 H 37.9583 7.78785 38.2193 1.92026e-05 -0.00170885 -0.000189315 10
3005 287 H 39.221 6.71336 38.6472 -0.00173674 -0.0189296 0.0213112 10
3006 288 H 36.6914 7.1859 40.296 0.0033518 0.00659013 0.0125247 10
3007 289 H 38.2768 7.83106 40.5828 0.00859383 -0.00283583 0.00307649 10
3008 290 H 39.0647 5.83716 41.5341 -0.00233821 -0.00338595 0.00233674 10
3009 291 H 37.8976 4.7903 40.6173 -0.00424926 -0.00103856 0.00324003 10
3010 292 H 37.1062 4.59517 42.7005 -0.015031 -0.0023794 0.00382385 10
3011 293 H 36.0874 5.89758 42.175 -0.0063538 -0.0112 0.0042035 10
3012 294 H 37.5906 7.47884 43.5051 -0.00958584 -4.23633e-05 0.00208137 10
3013 295 H 38.723 6.17163 43.908 0.00239778 -0.000261981 -0.00660955 10
3014 296 H 37.0426 5.03766 45.2566 -0.0197098 -0.00120452 0.0186534 10
3015 297 H 35.8102 6.09372 44.5616 0.000697388 -0.000447496 -0.00498498 10
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3017 299 H 36.832 8.06406 45.6675 -0.00332854 5.07106e-05 -0.0165812 10
3018 300 H 39.0478 7.57078 45.8783 0.00209077 -0.00324501 -0.00468246 10
3019 301 H 38.8304 6.14148 46.9189 0.0115737 0.00217085 3.3482e-06 10
3020 302 H 38.3262 7.80125 47.4581 0.00741439 -0.00100684 0.00118973 10
3021 1 C 41.0734 6.77497 31.1131 -0.000413802 0.00385916 -0.00244074 11
3022 2 C 41.2769 6.70787 29.7567 0.00165785 0.0013741 0.00842431 11
3023 3 C 40.7554 5.62998 29.0713 0.000311653 -0.00370166 0.000119034 11
3024 4 C 40.0805 4.57804 29.7238 -0.0033005 0.00508126 0.000283022 11
3025 5 C 39.8747 4.66021 31.138 0.000801805 -0.000586627 -0.00411921 11
3026 6 C 40.365 5.79781 31.8489 0.00091285 0.00084421 -0.000922975 11
3027 7 C 35.4374 3.49975 30.4513 -0.000972183 -0.00100247 0.00271798 11
3028 8 C 35.6746 3.41306 29.063 -0.000184104 0.000949342 -0.00181491 11
3029 9 C 36.9614 3.432 28.5562 -0.00336847 0.00380446 -0.00484026 11
3030 10 C 38.0121 3.33222 29.478 0.00342473 -0.00274529 -0.00133165 11
3031 11 C 37.8015 3.42001 30.8911 -0.0025671 -0.00376484 0.0025396 11
3032 12 C 36.4888 3.5296 31.3948 0.0028073 0.0020758 0.000195307 11
3033 13 C 41.0257 0.052522 31.4104 -0.00204929 -0.00229085 0.00570659 11
3034 14 C 41.2695 0.0447445 30.0428 -0.00283774 0.00129106 -0.00277163 11
3035 15 C 40.7599 1.06737 29.236 -0.00269226 -0.00297816 -0.00167823 11
3036 16 C 40.0247 2.10656 29.8335 0.00062591 -0.00234649 -0.000337899 11
3037 17 C 39.4685 3.31235 29.0481 0.000311446 0.00213541 -0.00244577 11
3038 18 O 40.082 0.999827 33.4107 -0.00363646 0.00212349 0.00227081 11
3039 19 O 36.1981 3.69485 32.7265 0.000620781 0.00102039 0.00182853 11
3040 20 O 40.2155 6.02827 33.2142 0.000491647 0.00174625 0.00208853 11
3041 21 C 40.3177 1.0842 32.0441 0.000298082 -0.00324931 0.00454592 11
3042 22 C 39.7837 3.25465 27.6064 0.00228848 -0.00223872 0.00229439 11
3043 23 C 40.2802 3.34858 26.5036 -0.00347877 -0.000353762 0.00228859 11
3044 24 C 41.0796 3.47498 25.3194 -9.46928e-05 0.000505701 -0.00321463 11
3045 25 C 40.7999 4.48363 24.3593 -0.000355285 0.000163541 0.00358517 11
3046 26 C 41.6281 4.63335 23.242 0.00303605 0.00535802 0.001139 11
3047 27 C 42.748 3.77216 23.092 0.00199652 -0.00190322 -0.00427721 11
3048 28 C 43.0124 2.77575 24.0666 -0.00182155 0.00262597 0.00360709 11
3049 29 C 42.1624 2.58798 25.1667 -0.0075745 0.00470422 -0.00200308 11
3050 30 C 43.4921 3.78585 21.8277 -0.000679066 -0.00378778 0.000766614 11
3051 31 C 44.0272 3.71753 20.7582 0.0025665 0.00219122 0.00248839 11
3052 32 C 43.0563 0.0186296 18.9424 -0.00482883 -0.00199826 -0.00385569 11
3053 33 C 43.3166 -0.216395 17.5804 -4.32546e-05 0.00330909 -0.0013501 11
3054 34 C 43.8382 0.856979 16.8033 0.00370643 0.00608341 -0.00239703 11
3055 35 C 44.1189 2.08942 17.407 -6.86299e-05 -0.0048357 0.00157201 11
3056 36 C 43.9138 2.21472 18.8102 -0.00180265 0.00281532 0.00320269 11
3057 37 C 43.3343 1.22028 19.5618 0.000928917 0.00185606 -0.000208493 11
3058 38 C 44.3908 3.56159 19.3414 -0.000475588 0.000872324 0.000478238 11
3059 39 C 48.265 3.66539 19.2104 0.00539824 -0.00216989 -0.00206567 11
3060 40 C 48.4661 3.61091 17.8218 0.00170282 0.00731182 -0.00148975 11
3061 41 C 47.3823 3.48594 16.9678 0.00574657 -0.00296469 0.00321197 11
3062 42 C 46.0911 3.3882 17.5125 -0.000299637 -0.00560221 0.000665526 11
3063 43 C 45.8897 3.52648 18.9337 0.000204091 -0.00323864 -0.00273055 11
3064 44 C 46.9923 3.64672 19.7823 -0.00294955 -0.000307192 -0.000438557 11
3065 45 C 42.6104 6.72993 18.0243 -0.00285574 0.000728901 0.00027657 11
3066 46 C 42.8024 6.55038 16.6215 -0.00241913 0.000936085 -0.000554471 11
3067 47 C 43.5107 5.44531 16.1255 0.00519594 -0.00218712 0.00162309 11
3068 48 C 44.0183 4.52323 17.0406 -0.00245243 -0.00142798 -0.000715448 11
3069 49 C 44.8146 3.27232 16.725 0.00136319 0.00131494 0.00342616 11
3070 50 C 43.8214 4.67115 18.4326 -0.00181922 -0.000867634 -0.000289782 11
3071 51 C 43.0887 5.79337 18.9276 -0.0047108 -0.000940072 -0.00218714 11
3072 52 O 47.6106 3.64816 15.6032 0.00411741 0.00022368 0.00165418 11
3073 53 O 44.2233 0.640369 15.495 0.00190887 -0.000508023 -1.24908e-05 11
3074 54 O 43.8103 5.34682 14.7711 0.00402664 0.000196861 -0.00298572 11
3075 55 C 39.0955 3.42122 31.7014 0.000462188 -0.00226851 1.989e-05 11
3076 56 C 39.8368 2.1643 31.2478 0.000850085 -0.00171813 -0.000936831 11
3077 57 C 47.4163 2.59886 14.6324 -0.000128085 0.00413541 0.0013026 11
3078 58 C 46.5211 3.03443 13.4643 -0.000627773 0.000760841 0.000900021 11
3079 59 C 47.0545 2.50936 12.1103 0.000919747 0.00146514 0.00263135 11
3080 60 C 46.2931 3.03016 10.8276 -0.000603496 0.00259352 0.00019552 11
3081 61 C 46.9328 2.48799 9.53988 -0.00603059 0.000627212 -0.00614611 11
3082 62 C 46.4849 3.24307 8.29415 -0.00346915 -0.000485239 -2.83239e-05 11
3083 63 C 47.2771 2.69471 7.07219 -0.00428455 0.00498837 -0.00252874 11
3084 64 C 47.0494 3.38834 5.72179 -0.00233409 -0.00467538 -0.0029945 11
3085 65 C 45.6883 3.10769 5.01488 0.0054257 0.00255413 0.00327499 11
3086 66 C 45.9236 2.7565 3.52373 -0.000545627 0.00390358 -0.00152696 11
3087 67 C 46.4218 3.94308 2.70596 -0.000233672 0.00266145 -0.000635143 11
3088 68 C 46.5967 3.63476 1.19223 -0.00316844 0.00204719 -0.000996433 11
3089 69 F 41.3247 5.56842 22.3018 -0.00608573 -0.0056972 -0.00406665 11
3090 70 C 44.5082 -0.67831 14.9872 0.000965445 -0.000539295 0.00225779 11
3091 71 C 45.2036 -0.50252 13.6477 0.000152863 -0.00264154 0.00111549 11
3092 72 C 45.5419 -1.89038 13.0908 0.00172867 0.00112059 0.00166323 11
3093 73 C 46.2443 -2.11033 11.7348 0.000450497 -0.00176502 -0.000720715 11
3094 74 C 45.6297 -1.33361 10.5416 -0.000752095 -0.00266343 0.00770075 11
3095 75 C 46.3436 -1.7189 9.20736 -0.00301586 0.00454336 -0.00184826 11
3096 76 C 45.5994 -1.13374 8.03099 0.00317609 -0.00316564 0.00217433 11
3097 77 C 46.2749 -1.35522 6.65056 -0.00131018 0.00228432 -0.00227152 11
3098 78 C 45.3137 -0.911551 5.5731 -0.00333751 0.00223011 0.00109957 11
3099 79 C 45.9117 -0.684902 4.17669 -0.00140895 -0.00127028 -0.00205189 11
3100 80 C 46.255 -1.973 3.42783 0.00125825 0.000130545 -0.00181809 11
3101 81 C 46.2282 -1.70664 1.90771 -0.0021834 0.00286839 -0.00126629 11
3102 82 C 42.7507 5.01274 13.8472 -0.00112536 -0.000803698 -0.00094095 11
3103 83 C 43.3672 4.94812 12.4636 0.00117027 0.00349531 -0.0043459 11
3104 84 C 42.3801 4.81455 11.2404 0.00376364 -0.000491212 0.000538813 11
3105 85 C 43.2504 5.00551 9.98438 -0.00178502 -0.0011445 -0.00235518 11
3106 86 C 42.4645 4.92854 8.67992 -0.00380863 0.00280168 0.00163268 11
3107 87 C 42.0243 6.27484 8.1327 -0.00216263 -0.00119729 0.0018253 11
3108 88 C 41.525 6.13482 6.69159 0.00312705 0.00237574 -0.00218183 11
3109 89 C 42.6296 5.97653 5.64681 -0.00305957 0.00147508 -0.000275827 11
3110 90 C 42.1124 5.93023 4.18428 -0.0032562 -0.00129167 0.00397742 11
3111 91 C 43.2222 5.71896 3.18027 -0.00245691 0.000694284 0.0040543 11
3112 92 C 42.8891 5.93587 1.69921 0.000129886 0.00129485 0.000493758 11
3113 93 C 41.9977 4.83664 1.14343 -0.00251141 -0.00314517 -0.00322366 11
3114 94 C 34.8403 3.8345 33.1732 -0.00271693 -0.00389358 -0.000652683 11
3115 95 C 34.6088 4.20921 34.6749 0.000914074 0.00531675 -0.00640657 11
3116 96 C 33.4985 3.37594 35.3404 0.00066463 0.00228405 0.000194717 11
3117 97 C 32.9047 3.81427 36.7036 -0.000376074 -0.00551956 -0.00103268 11
3118 98 C 33.8807 3.76194 37.8741 0.000445099 0.00039812 0.00530836 11
3119 99 C 33.1514 4.14681 39.1865 -0.00452456 -0.000728716 -0.00197261 11
3120 100 C 34.0497 4.05849 40.4159 0.00214879 0.00254202 -0.0024986 11
3121 101 C 33.2104 4.18358 41.7109 0.00484339 -0.002829 -0.000825203 11
3122 102 C 33.9286 3.75162 42.9826 0.00105065 -0.00124053 0.00210226 11
3123 103 C 33.1733 4.22024 44.2434 0.00211252 0.00275566 0.000399261 11
3124 104 C 33.8679 3.70697 45.5319 -0.00754783 -0.003399 0.000515272 11
3125 105 C 33.0653 4.06102 46.7779 0.00186751 0.000602642 0.000715188 11
3126 106 C 40.7671 7.2564 33.8018 -6.60951e-05 0.00317742 -0.0045276 11
3127 107 C 40.6808 7.39497 35.3275 3.7226e-05 0.003099 -0.00341558 11
3128 108 C 41.2984 8.69202 35.8258 -0.000217671 -0.00235471 -0.00185507 11
3129 109 C 41.3111 8.87753 37.3689 -0.00415604 -0.000890659 -0.00509777 11
3130 110 C 42.3332 8.03344 38.134 0.000588295 0.00367816 0.00127123 11
3131 111 C 42.4079 8.39431 39.6667 -0.00209263 0.000865267 0.00315342 11
3132 112 C 41.0839 8.24794 40.4525 0.00291206 -0.00272098 -0.000563489 11
3133 113 C 41.1355 8.10681 41.9565 -0.000341035 -0.00271153 0.00289357 11
3134 114 C 41.9191 9.24642 42.6005 0.000971375 0.00083156 -0.000510234 11
3135 115 C 41.709 9.33501 44.1362 -0.00214005 0.000437009 0.00264007 11
3136 116 C 42.0178 8.06106 44.927 0.0013009 0.000678589 0.00487449 11
3137 117 C 41.9334 8.19154 46.4558 -0.00184379 -0.00572579 0.00563646 11
3138 118 C 40.2579 -0.198995 34.1761 -0.000436602 0.00346649 -0.00131308 11
3139 119 C 40.455 0.196564 35.6277 0.00211285 -0.000755504 0.000787781 11
3140 120 C 40.9524 -0.894854 36.6058 -0.00361539 0.00407368 0.000591592 11
3141 121 C 41.0622 -0.278079 38.0383 0.00122708 0.00490013 -0.00291633 11
3142 122 C 41.5413 -1.25211 39.1183 -0.00145744 -0.00130567 0.00213716 11
3143 123 C 41.3888 -0.560948 40.5115 0.0013783 -0.00118959 -0.00220735 11
3144 124 C 41.9014 -1.31762 41.7711 0.000797571 -0.00383546 0.00100266 11
3145 125 C 41.5606 -0.495024 42.9988 -0.00156554 0.00090955 0.00308831 11
3146 126 C 41.919 -1.17551 44.3452 0.00211173 -0.000331503 0.00205327 11
3147 127 C 41.0433 -0.624401 45.504 -0.000494271 -0.00104418 -0.000911095 11
3148 128 C 41.5321 -1.15986 46.875 0.00091635 -0.000579868 -0.00224674 11
3149 129 C 40.8695 -0.342275 48.0214 -0.000718014 -0.000189735 0.000564366 11
3150 130 F 39.7901 5.3971 24.5058 0.000358803 -0.000675232 -0.00256797 11
3151 131 H 41.438 7.68379 31.5826 -0.000599095 0.0031416 -0.00090331 11
3152 132 H 41.8241 7.45783 29.1931 0.00493084 0.00361353 0.0145992 11
3153 133 H 40.8984 5.60533 27.995 -0.00141029 0.00176547 -0.000234032 11
3154 134 H 34.3987 3.56539 30.7613 -0.00703434 -0.00561522 -0.0166372 11
3155 135 H 34.8478 3.44776 28.3597 -0.0105103 0.00220308 0.0104002 11
3156 136 H 37.1401 3.49856 27.4871 0.001096 -0.0128387 -0.00512029 11
3157 137 H 41.4203 -0.800834 31.9539 0.00532078 -0.00254283 -4.12097e-05 11
3158 138 H 41.8325 -0.755797 29.5721 -0.00218881 0.00465181 -0.00771858 11
3159 139 H 40.9528 1.05335 28.1673 -0.000321143 0.00544281 -0.00136605 11
3160 140 H 43.9239 2.18889 24.001 -0.00419701 -0.000523479 -0.00104448 11
3161 141 H 42.3775 1.8287 25.9128 -0.0124855 0.00362246 -0.00168883 11
3162 142 H 42.7348 -0.788098 19.5946 0.00751901 -0.0140871 -0.0127235 11
3163 143 H 43.1319 -1.16822 17.0912 -0.0128786 0.00819005 -0.00602517 11
3164 144 H 43.1872 1.2829 20.6359 0.00919869 -0.00487429 0.00132556 11
3165 145 H 49.1321 3.75627 19.858 0.00345714 0.00246448 -0.000119461 11
3166 146 H 49.4737 3.66117 17.4198 0.00113895 -0.00163667 -0.00402266 11
3167 147 H 46.8468 3.74575 20.854 -0.00518135 0.00203298 -0.000955463 11
3168 148 H 42.1249 7.62034 18.4127 0.00927395 0.00281205 0.0106662 11
3169 149 H 42.3834 7.3185 15.9782 0.0192311 -0.00548843 -0.0221999 11
3170 150 H 44.9713 3.12663 15.6491 -0.00134851 -0.00110265 0.00335936 11
3171 151 H 43.0446 6.06773 19.9774 0.006344 0.00136337 -0.00230211 11
3172 152 H 38.9892 3.46567 32.7923 -0.00920561 -0.00163671 -0.000965221 11
3173 153 H 48.4091 2.34283 14.2423 -0.000816668 0.0101099 -0.00437266 11
3174 154 H 47.0217 1.68568 15.0948 0.00663963 -0.0025095 -0.00603579 11
3175 155 H 46.4927 4.13098 13.4782 0.0010248 0.000761181 0.00457143 11
3176 156 H 45.4909 2.66669 13.5471 -0.00520085 0.0134266 0.000284249 11
3177 157 H 47.0401 1.41256 12.0948 -0.00275444 0.001683 -0.00944626 11
3178 158 H 48.1281 2.72867 12.0596 0.00205502 -0.00495954 -0.00131002 11
3179 159 H 46.3018 4.12712 10.8305 0.0101139 0.0025091 0.00140668 11
3180 160 H 45.2509 2.70623 10.9386 0.00307437 -0.00924383 0.000184631 11
3181 161 H 46.6166 1.43993 9.46934 0.00887355 -0.0051545 0.0128686 11
3182 162 H 48.0245 2.49084 9.64734 -0.00741838 0.012321 0.00767136 11
3183 163 H 46.7741 4.29758 8.38225 0.00358694 -0.0025657 0.00175267 11
3184 164 H 45.4093 3.20092 8.08274 -0.00220583 -0.000900977 -0.00643815 11
3185 165 H 47.077 1.6322 6.88665 0.0110456 0.000171462 0.00872143 11
3186 166 H 48.3089 2.85435 7.40882 -0.00699587 0.00470871 0.00600447 11
3187 167 H 47.8635 3.03216 5.07857 0.00418554 0.00371741 0.000604985 11
3188 168 H 47.2342 4.46303 5.84134 -0.0073178 -0.00453122 0.00337684 11
3189 169 H 44.9924 3.94478 5.15084 0.00548075 0.00296457 0.00102047 11
3190 170 H 45.2189 2.21887 5.4543 -0.00337814 0.00791546 0.00469598 11
3191 171 H 44.981 2.42725 3.06918 -0.00284292 0.00101556 0.00533948 11
3192 172 H 46.6185 1.92494 3.35331 -0.00464114 -0.00064968 0.00404465 11
3193 173 H 47.3776 4.33978 3.0699 0.00459458 -0.00188168 -0.00833761 11
3194 174 H 45.6792 4.74612 2.78955 0.00138362 0.00277069 0.0125889 11
3195 175 H 45.6264 3.3878 0.743989 0.0011013 -0.0056797 -0.00596495 11
3196 176 H 47.2944 2.80587 1.02038 0.00308887 0.00436068 0.0132765 11
3197 177 H 46.9435 4.51053 0.629954 -0.00602489 0.00249252 -0.00207166 11
3198 178 H 45.1764 -1.24963 15.6434 0.00522985 0.00457363 0.00236128 11
3199 179 H 43.6001 -1.27556 14.8387 -0.00296371 0.0028661 0.0126651 11
3200 180 H 44.5227 -0.0252467 12.9322 -0.00240402 0.00592051 0.00927575 11
3201 181 H 46.0284 0.207089 13.7878 -0.00597223 0.0042671 0.00232776 11
3202 182 H 46.0867 -2.46079 13.8532 -0.00721877 -0.00898486 0.000503081 11
3203 183 H 44.5672 -2.38432 12.9937 0.00249243 -0.000205361 0.00075347 11
3204 184 H 47.3142 -1.86895 11.7577 0.00186626 -0.00809699 -0.000549003 11
3205 185 H 46.1599 -3.18026 11.5077 0.00279703 -0.00204533 -0.000264608 11
3206 186 H 44.5498 -1.51397 10.4742 -0.000680491 0.00480929 -0.0135491 11
3207 187 H 45.8197 -0.268612 10.7235 9.13114e-05 -0.00178077 0.00165896 11
3208 188 H 47.3533 -1.29021 9.20592 -0.000693371 -0.000931927 -0.00394223 11
3209 189 H 46.4937 -2.799 9.08796 0.0076941 0.00734561 -0.0139313 11
3210 190 H 44.5876 -1.5571 8.00942 0.000141031 0.00426008 -0.0011244 11
3211 191 H 45.4976 -0.0549024 8.20173 0.0119206 -0.00179747 -0.00127668 11
3212 192 H 47.2104 -0.783573 6.61219 -4.12559e-05 0.000531017 0.002411 11
3213 193 H 46.5557 -2.40508 6.50117 0.000680116 0.00164952 0.00591638 11
3214 194 H 44.4629 -1.60215 5.52234 -0.00330239 0.000988852 0.0174209 11
3215 195 H 44.9923 0.0932036 5.87407 -0.00797996 7.23361e-05 0.00329827 11
3216 196 H 45.2181 -0.0869934 3.57268 -0.00898687 -0.00702322 0.000978665 11
3217 197 H 46.7976 -0.0460709 4.27916 0.00224307 -0.00534273 -0.00830042 11
3218 198 H 47.2291 -2.34291 3.77095 -0.000603121 -0.00632222 -0.00349958 11
3219 199 H 45.5079 -2.74637 3.64494 -0.00831407 0.008503 -0.00492656 11
3220 200 H 47.0012 -1.01345 1.55375 0.00946489 -0.00681697 0.00522633 11
3221 201 H 46.333 -2.62676 1.31966 -0.00941318 0.00578399 -0.00713555 11
3222 202 H 45.2471 -1.29807 1.6358 -0.00735155 -0.00435111 0.00649363 11
3223 203 H 42.2614 4.06802 14.1145 0.00350535 -0.00468284 -0.00621041 11
3224 204 H 41.9796 5.79226 13.8814 0.00299189 0.00333427 -0.00251151 11
3225 205 H 43.8742 5.91459 12.3527 0.00880947 0.000278814 0.00263521 11
3226 206 H 44.1198 4.15015 12.4511 -0.00367409 -0.000917993 -0.0142102 11
3227 207 H 41.8236 3.86943 11.2198 0.00653701 -0.00212001 0.000485936 11
3228 208 H 41.6672 5.64806 11.2626 0.00649818 0.00189853 -0.00112168 11
3229 209 H 43.7364 5.98329 10.0903 -0.0238162 0.0110858 -0.0141644 11
3230 210 H 44.0445 4.24884 9.96613 -0.0047262 -0.00423686 -0.00217111 11
3231 211 H 43.0547 4.41431 7.91143 0.00461382 0.0011816 0.00920601 11
3232 212 H 41.5656 4.32683 8.86293 -0.00381632 0.00188576 -0.00142255 11
3233 213 H 41.2734 6.74644 8.77863 -0.0116524 -0.01288 -0.000703177 11
3234 214 H 42.884 6.95592 8.11403 -0.00427403 0.00170159 0.010526 11
3235 215 H 40.8377 5.28077 6.6514 0.00508278 0.000918663 -0.0046095 11
3236 216 H 40.9412 7.02196 6.41676 0.0055105 0.00815855 0.0114634 11
3237 217 H 43.2465 6.87206 5.79118 0.00567875 -0.00367767 -0.00583852 11
3238 218 H 43.2401 5.08698 5.8454 0.00286487 0.00699006 0.00620134 11
3239 219 H 41.3733 5.13141 4.04652 0.00236928 -0.00955056 0.0218722 11
3240 220 H 41.5602 6.85064 3.95769 0.00605917 0.00464774 0.00545757 11
3241 221 H 44.0867 6.34378 3.43632 0.0013394 -0.0031269 0.000602026 11
3242 222 H 43.6078 4.69522 3.26169 0.00598687 0.00387263 0.00417903 11
3243 223 H 42.3808 6.89867 1.56482 7.70711e-05 -6.70138e-05 -0.00901989 11
3244 224 H 43.8662 5.92744 1.20056 -0.0007913 0.000444832 -0.00129236 11
3245 225 H 41.7753 5.07378 0.0957032 -0.00514372 -0.00437643 -0.0029416 11
3246 226 H 42.448 3.83695 1.17776 -0.0130012 -0.00730361 0.0134186 11
3247 227 H 41.0507 4.8271 1.69719 0.00287715 0.0155096 0.00632217 11
3248 228 H 34.3596 4.59208 32.542 -0.00258406 -0.00251958 0.000899269 11
3249 229 H 34.3315 2.88082 32.9861 -0.0067802 -0.00263702 0.00398047 11
3250 230 H 35.4953 4.09656 35.3112 0.000637759 -0.00665647 -0.00811608 11
3251 231 H 34.2747 5.25249 34.7328 -0.00636508 0.0023453 0.00560082 11
3252 232 H 32.6538 3.33354 34.6417 -0.00575719 -0.00182431 0.00821434 11
3253 233 H 34.0165 2.41302 35.4288 0.00698232 0.0058144 0.00187599 11
3254 234 H 32.4665 4.81703 36.627 -0.00157126 -0.00636414 -0.00528196 11
3255 235 H 32.0388 3.19698 36.9731 0.00144071 -0.000179668 0.0171014 11
3256 236 H 34.32 2.7622 37.9785 0.00458678 0.00116119 -0.00477375 11
3257 237 H 34.71 4.47249 37.7705 -0.000550243 -0.000267206 -0.00690009 11
3258 238 H 32.7433 5.15558 39.0478 0.0126304 0.00315332 -0.0245119 11
3259 239 H 32.3024 3.45893 39.283 -0.00599065 0.00320088 0.0128711 11
3260 240 H 34.6174 3.12085 40.4605 -0.00365308 -0.00073981 0.00232855 11
3261 241 H 34.8334 4.82566 40.3884 0.00192023 0.00287266 0.000148315 11
3262 242 H 32.6604 5.13237 41.7378 0.00233874 -0.00495506 0.0214074 11
3263 243 H 32.4242 3.42038 41.658 0.0147433 -0.0134191 0.00434871 11
3264 244 H 34.001 2.66052 42.8951 -0.00633164 -0.00124153 -0.00419496 11
3265 245 H 34.9435 4.15863 43.0705 -0.00050521 0.00341729 -0.00155707 11
3266 246 H 33.0439 5.30931 44.2675 -0.00914221 0.00164426 -0.00926959 11
3267 247 H 32.1533 3.82316 44.1696 0.005942 -0.0086827 0.00920804 11
3268 248 H 33.9394 2.6174 45.4264 -0.00406991 -0.0048804 0.0185308 11
3269 249 H 34.9023 4.06974 45.5729 -0.00866487 -0.000694049 0.00455837 11
3270 250 H 33.6436 3.73647 47.6517 0.00652044 0.00932486 0.000886012 11
3271 251 H 32.9359 5.14858 46.84 0.00620107 0.000359646 0.0140405 11
3272 252 H 32.0857 3.56753 46.7656 0.00163115 0.00151189 -0.0182481 11
3273 253 H 41.8247 7.2434 33.5105 0.00895607 0.0038518 0.0284866 11
3274 254 H 40.2813 8.10084 33.2976 -0.00430816 0.00771059 0.00719031 11
3275 255 H 39.6367 7.37769 35.6637 -3.51719e-05 -0.000412705 -0.00380096 11
3276 256 H 41.1832 6.58709 35.8736 -0.0100522 -0.000450366 0.00064051 11
3277 257 H 42.3524 8.6934 35.5217 -9.07813e-05 -0.0129603 -0.00147189 11
3278 258 H 40.8648 9.568 35.3278 -0.00800705 -0.00194141 0.00568576 11
3279 259 H 41.5284 9.92261 37.6219 0.00716619 -0.00199859 -0.0102545 11
3280 260 H 40.3072 8.65473 37.7508 -0.00166408 -1.58169e-05 0.00195641 11
3281 261 H 42.0316 6.98599 38.0104 -0.000348924 0.00450884 -0.00351655 11
3282 262 H 43.2949 8.15401 37.6203 -0.00268902 -0.0165096 -0.00964187 11
3283 263 H 43.1911 7.81087 40.1664 -0.00041212 -0.00387881 -0.00502415 11
3284 264 H 42.6451 9.46535 39.6745 -0.00594599 0.00171557 0.00423426 11
3285 265 H 40.4367 9.07159 40.1266 0.00193179 -0.000286875 0.00758921 11
3286 266 H 40.6162 7.29894 40.1625 -0.00631531 -0.00275384 0.0143554 11
3287 267 H 40.1043 8.16564 42.3261 -0.00297091 0.000284921 -0.00493142 11
3288 268 H 41.5095 7.14203 42.3208 -0.0022789 -0.00207388 0.00660503 11
3289 269 H 42.992 9.14198 42.3969 0.00166461 0.000278987 0.0033926 11
3290 270 H 41.5675 10.1609 42.1071 0.00561623 0.00234991 -0.000994783 11
3291 271 H 42.2699 10.2039 44.5019 0.000543337 0.00154419 -0.00409301 11
3292 272 H 40.6523 9.58175 44.2975 -0.00575235 -0.00613624 -0.010934 11
3293 273 H 41.2569 7.32424 44.6415 -0.0072142 0.0107677 0.00144749 11
3294 274 H 43.0265 7.73739 44.642 -0.00321868 -0.0169294 0.00894179 11
3295 275 H 40.9869 8.63062 46.7946 -0.0009327 0.00128001 -0.000912098 11
3296 276 H 42.0488 7.25236 47.0108 -0.0108312 -0.00190807 0.0139909 11
3297 277 H 42.7146 8.83943 46.8721 -0.00908798 0.00292858 0.00577772 11
3298 278 H 39.3218 -0.753255 34.0345 -0.0020367 0.00295825 0.0113196 11
3299 279 H 41.0952 -0.816735 33.8287 -0.00111349 -0.00490476 0.0120178 11
3300 280 H 39.495 0.598095 35.9748 0.00271828 -0.000612092 0.00229264 11
3301 281 H 41.1622 1.02774 35.7396 0.00420927 -0.00287685 0.00334653 11
3302 282 H 41.9372 -1.23215 36.2596 -0.00464763 -0.00474959 0.00629465 11
3303 283 H 40.2506 -1.73756 36.6315 0.00495191 -0.00323175 -0.00529097 11
3304 284 H 40.1131 0.161841 38.3686 0.00249874 0.0204262 -0.019992 11
3305 285 H 41.8289 0.505967 38.0652 -0.000768872 0.00684086 -0.00279157 11
3306 286 H 42.5684 -1.59184 38.9366 -0.00558813 -0.00660496 -0.0112918 11
3307 287 H 40.937 -2.1667 39.161 -0.00941459 0.00328576 -0.0129698 11
3308 288 H 40.3443 -0.292817 40.7125 0.000247012 -0.00681594 -0.000608184 11
3309 289 H 41.9078 0.403683 40.4518 -0.0084482 0.00496507 0.0118707 11
3310 290 H 42.9843 -1.4905 41.7404 0.00073483 -0.00336546 -0.00375923 11
3311 291 H 41.4445 -2.31361 41.8225 -0.00177051 -0.00306886 -0.00696137 11
3312 292 H 40.4726 -0.355381 42.9855 -0.000170397 0.0112318 -0.000687334 11
3313 293 H 42.1092 0.454533 42.9702 0.0149649 -0.0082901 0.0128982 11
3314 294 H 42.9783 -0.926206 44.4836 0.000657633 0.00174764 0.00933479 11
3315 295 H 41.8045 -2.26627 44.3221 -0.00423407 0.000444197 -0.00297249 11
3316 296 H 39.9932 -0.921456 45.3923 9.32968e-05 -0.00684723 0.0088702 11
3317 297 H 41.111 0.47038 45.4873 -0.00810983 -0.000827257 -0.0173464 11
3318 298 H 42.6196 -1.03428 46.9456 8.5482e-05 0.0108078 -0.00969929 11
3319 299 H 41.3238 -2.22963 47 -0.0143867 0.00574073 0.0264854 11
3320 300 H 41.3145 -0.635403 48.9803 -0.0116181 0.00493607 0.00717499 11
3321 301 H 39.7822 -0.480708 48.0669 0.00018882 -0.0016781 0.017911 11
3322 302 H 41.1021 0.724448 47.9147 0.0107338 -0.00167002 0.0105728 11
3323 1 C 44.8458 13.6493 31.0977 -8.39801e-05 0.000358466 0.000883954 12
3324 2 C 44.9553 13.5731 29.7019 -0.000365959 0.00208183 0.00135929 12
3325 3 C 44.4675 12.4301 29.04 -0.0018836 0.0011409 -0.00108105 12
3326 4 C 43.8785 11.381 29.7828 0.000527372 0.0046863 0.00322679 12
3327 5 C 43.7828 11.4415 31.1938 0.0019096 0.0034894 -0.00143093 12
3328 6 C 44.281 12.5943 31.8636 0.00173805 0.00241849 -0.00274998 12
3329 7 C 39.292 10.2174 30.7806 -0.00518225 0.000905205 0.00234425 12
3330 8 C 39.4532 10.1877 29.3784 0.00162613 0.00306783 0.00285926 12
3331 9 C 40.7006 10.1436 28.7535 -0.000437964 -0.000609943 0.00087066 12
3332 10 C 41.8365 10.1106 29.6085 0.00213274 0.00301103 -0.00498399 12
3333 11 C 41.6935 10.1941 31.0107 0.00187729 0.00308662 -0.00525394 12
3334 12 C 40.4288 10.3218 31.6037 -0.00387768 0.00160031 -0.00226408 12
3335 13 C 44.8843 6.79694 31.2562 0.00180449 -0.00368121 -0.00321034 12
3336 14 C 45.062 6.83479 29.8853 0.00136707 -0.00103075 0.0030395 12
3337 15 C 44.6138 7.91403 29.1743 -0.00162883 0.00366559 -0.00142465 12
3338 16 C 43.9742 8.96757 29.8459 8.84205e-06 -0.00370887 -0.00336482 12
3339 17 C 43.2731 10.1425 29.1268 -0.000960758 -0.00256756 -8.74682e-05 12
3340 18 O 44.1673 7.75856 33.3722 0.000281211 2.03928e-06 0.00332221 12
3341 19 O 40.3676 10.4339 32.9606 -0.00173466 -0.00115945 8.84378e-05 12
3342 20 O 44.1365 12.7747 33.2529 -0.000206394 0.00225884 0.00249753 12
3343 21 C 44.253 7.84262 31.9758 -0.000565683 0.00129666 0.000275002 12
3344 22 C 43.5584 10.0975 27.6606 0.00199647 0.00218668 0.000178123 12
3345 23 C 44.0384 10.1067 26.5461 -0.00191543 0.00521323 -0.00141759 12
3346 24 C 44.8715 10.1881 25.428 -0.000674709 0.00183439 -0.000650948 12
3347 25 C 45.1956 11.4306 24.8286 -0.00532511 0.00141314 0.00254626 12
3348 26 C 46.1448 11.4686 23.7817 -0.00127817 0.000397271 0.002513 12
3349 27 C 46.7139 10.2754 23.3416 0.000857831 0.000897276 0.000824945 12
3350 28 C 46.4294 9.07916 23.9935 -0.000282524 0.00244702 -0.00273556 12
3351 29 C 45.5356 9.03208 25.0424 -0.000286005 0.00268751 -0.000848191 12
3352 30 C 47.5024 10.2119 22.169 -0.00279146 -0.00020708 -0.00238577 12
3353 31 C 47.9832 10.1993 21.0618 -0.000765487 -0.00110329 0.00210038 12
3354 32 C 46.3984 6.89627 18.7111 0.000170611 -0.00284347 0.00310457 12
3355 33 C 46.7274 6.83195 17.3637 0.00109483 0.00120317 0.00422613 12
3356 34 C 47.4611 7.84358 16.7402 0.000982647 0.000910552 0.00373591 12
3357 35 C 47.9073 8.9097 17.5489 0.00219503 -0.00460279 -0.00134001 12
3358 36 C 47.6691 8.95071 18.928 -0.00127057 -0.000156713 -0.000410386 12
3359 37 C 46.9331 7.90053 19.5149 0.00257014 5.557e-05 -0.00373019 12
3360 38 C 48.2945 10.1822 19.6173 -8.44243e-06 -0.00248899 -0.000747132 12
3361 39 C 52.1622 10.1191 19.5227 0.00466788 0.00141366 -0.000281306 12
3362 40 C 52.3417 10.1822 18.1259 -0.00232901 -0.000943094 -0.00305652 12
3363 41 C 51.2278 10.2634 17.2901 0.000491483 -0.00105479 -0.000609202 12
3364 42 C 49.9539 10.2347 17.825 0.00119024 0.00432987 0.000975375 12
3365 43 C 49.7696 10.184 19.2302 -0.00149981 -0.00155662 0.00309561 12
3366 44 C 50.8959 10.1355 20.0832 0.000776741 0.00333408 0.000584579 12
3367 45 C 46.5503 13.5559 18.7198 -0.00512245 0.00146329 -0.000649652 12
3368 46 C 46.7869 13.5745 17.3467 -0.000270499 0.00216004 -0.00257704 12
3369 47 C 47.5088 12.5323 16.7331 -0.000488614 0.000785952 0.00439452 12
3370 48 C 47.9284 11.416 17.5008 -0.00185929 -0.00313959 -0.0040143 12
3371 49 C 48.6769 10.1784 17.038 0.00236734 -0.00200384 0.00507954 12
3372 50 C 47.751 11.4255 18.887 -0.00382821 0.00159169 0.00352838 12
3373 51 C 47.02 12.4986 19.5091 -0.00187776 0.00429185 -0.00237578 12
3374 52 O 51.3488 10.3051 15.9128 0.00166762 0.000434774 -0.0039634 12
3375 53 O 47.8037 7.82261 15.3993 0.00104918 0.00115063 -0.00457163 12
3376 54 O 47.6081 12.4839 15.3367 -0.00454075 0.00333651 -0.00249151 12
3377 55 C 43.0192 10.2153 31.7602 -0.000701756 -0.00134694 -0.0019122 12
3378 56 C 43.7801 8.95847 31.2468 -0.000398982 0.000950591 -0.00335235 12
3379 57 C 52.4634 9.68388 15.2181 -0.00412453 -0.00287357 -0.00336944 12
3380 58 C 52.0005 9.38043 13.7647 0.0020648 -0.00292923 -0.0030847 12
3381 59 C 50.5572 9.78139 13.3847 -0.000450649 -0.00404208 0.00426844 12
3382 60 C 50.075 9.26548 12.0014 0.00556319 0.00222938 -0.000710988 12
3383 61 C 50.7385 9.8826 10.751 0.00165298 0.000855718 0.000328674 12
3384 62 C 50.0712 9.30649 9.48572 -0.00586302 0.00305191 -0.00122863 12
3385 63 C 50.7057 9.75221 8.19335 -0.00292786 0.00165877 -0.00372919 12
3386 64 C 49.9704 9.22096 6.95673 0.00152231 0.0014053 -0.000961759 12
3387 65 C 50.7013 9.56255 5.64055 -0.00201159 -0.001079 -0.0041287 12
3388 66 C 49.8569 9.28429 4.40601 -0.00174225 -0.00312975 -0.00240806 12
3389 67 C 50.7394 9.48614 3.12155 0.00206745 0.00173101 -0.00560611 12
3390 68 C 49.9326 9.45643 1.81433 -0.00302815 0.000843298 -0.000244801 12
3391 69 F 46.4978 12.6316 23.1691 -0.00175715 0.000928806 -0.00283387 12
3392 70 C 47.2222 6.88992 14.5031 0.00101861 0.00246246 0.000128281 12
3393 71 C 47.6895 7.36888 13.1434 0.00383355 0.00125126 -0.000704513 12
3394 72 C 46.986 6.70215 11.9765 4.64724e-05 0.000256965 -0.00153805 12
3395 73 C 47.3615 7.38966 10.6537 8.01223e-05 -0.00236004 0.00267576 12
3396 74 C 46.3743 7.10762 9.53313 0.00193637 0.000722443 0.000699608 12
3397 75 C 46.8789 7.45771 8.11974 0.000576524 -0.00350854 -0.0025355 12
3398 76 C 45.8541 7.0861 7.03237 0.000430129 0.000599442 0.00025283 12
3399 77 C 46.3025 7.09761 5.56287 -0.000366262 -0.00222089 0.00203942 12
3400 78 C 46.3047 8.55488 5.01419 0.00589274 0.00173146 0.000711576 12
3401 79 C 46.0755 8.69757 3.48614 -0.000260649 -0.00707707 0.000122218 12
3402 80 C 46.901 7.788 2.55798 -0.0012828 0.0019347 -0.00146123 12
3403 81 C 46.7124 8.10723 1.03981 -0.00058502 -0.00232997 -0.000537511 12
3404 82 C 48.8032 12.8312 14.5737 -0.00185962 -0.00335101 0.00409404 12
3405 83 C 48.5699 12.8305 13.0287 -0.000128605 0.00280383 -0.00379959 12
3406 84 C 49.6475 13.2853 12.0391 0.00161346 0.00431623 0.00711191 12
3407 85 C 49.2381 13.2756 10.5178 -0.00117768 -0.000438156 0.000770375 12
3408 86 C 50.4046 13.6783 9.60262 -0.00361147 0.00306428 0.00219527 12
3409 87 C 50.0015 14.3318 8.23455 -0.00081396 0.000565381 -0.00561115 12
3410 88 C 50.1499 13.3556 7.03637 0.00104132 -0.00552491 0.00360363 12
3411 89 C 50.0069 14.0444 5.69135 0.000344669 -0.0033736 0.000652644 12
3412 90 C 50.2534 13.1368 4.47586 0.00117443 -0.000446447 -0.00224579 12
3413 91 C 50.2299 13.9384 3.22093 -0.00058442 0.00391671 0.00445988 12
3414 92 C 50.4602 13.1435 1.92122 -0.000598508 0.0012196 -0.00282917 12
3415 93 C 50.4232 14.1074 0.715756 0.0010206 0.0010869 0.00201876 12
3416 94 C 39.233 11.0695 33.6208 -0.00171054 0.00149124 -0.00123268 12
3417 95 C 38.1541 10.0444 34.0117 0.0021899 -0.00345132 0.00380427 12
3418 96 C 37.3749 10.4298 35.2949 0.00105659 -0.00569357 -0.00142804 12
3419 97 C 38.1244 10.3768 36.6043 0.000947974 0.000616204 -0.000172817 12
3420 98 C 37.4482 11.1683 37.7669 0.00484947 -0.00249654 0.00391499 12
3421 99 C 37.6517 10.4329 39.1347 0.00316512 -0.00130354 -0.00200386 12
3422 100 C 37.2425 11.235 40.3686 -0.00250093 -0.00236629 0.00333939 12
3423 101 C 37.4458 10.4043 41.6562 0.00218848 -0.00547404 0.00460086 12
3424 102 C 37.1115 11.2341 42.9172 0.00183605 0.00144166 0.000983492 12
3425 103 C 37.3669 10.4328 44.2418 0.00319481 -0.00350538 -0.0003086 12
3426 104 C 37.1979 11.3345 45.4612 -0.00165006 0.00187871 -0.00123383 12
3427 105 C 37.6098 10.6057 46.7876 -0.000103678 -0.00260745 -0.00176861 12
3428 106 C 45.0269 13.696 33.9386 0.00323463 -0.00285349 -0.000828664 12
3429 107 C 44.6855 13.9176 35.4256 0.00163437 -0.00765925 -0.00222402 12
3430 108 C 45.7848 14.8065 36.0823 -0.00012768 -0.00431054 -0.00217926 12
3431 109 C 46.1207 14.5054 37.5448 -0.00476384 -0.00122551 0.00132735 12
3432 110 C 45.1384 15.0716 38.6171 0.000785931 0.00342593 -0.00333991 12
3433 111 C 45.6774 14.7337 40.0389 -0.00178859 0.000743326 0.000267936 12
3434 112 C 44.7532 15.2801 41.1545 0.000435248 0.00103436 -0.00348581 12
3435 113 C 45.2865 15.4218 42.5665 -0.00109328 -0.00679929 0.000800812 12
3436 114 C 45.4421 14.0794 43.2637 -0.000804517 -0.00450086 -0.0033794 12
3437 115 C 44.8696 14.0425 44.6748 0.00315709 -0.000273328 -0.00273596 12
3438 116 C 45.7452 14.6907 45.7894 -0.00282781 0.00127138 -0.00366148 12
3439 117 C 45.8974 16.1873 45.7323 -0.000651352 0.000306268 0.00511222 12
3440 118 C 45.094 6.88056 34.0752 -0.00281108 0.00166204 -0.00181637 12
3441 119 C 44.7649 6.72007 35.5763 0.00331302 -0.00457485 0.00212698 12
3442 120 C 45.2433 5.46564 36.3158 0.00136893 -0.000277834 0.000481518 12
3443 121 C 45.3083 5.80222 37.8242 -0.0011553 -0.00185257 0.00155252 12
3444 122 C 45.6768 4.63276 38.7561 0.00217512 -0.00212769 0.00435244 12
3445 123 C 46.5209 5.0214 39.9588 0.00061459 0.00240093 -0.00349572 12
3446 124 C 45.8146 5.95209 40.9323 0.00115373 -0.00488973 0.000286945 12
3447 125 C 44.637 5.31271 41.7547 0.0016863 -0.00232396 -0.00253266 12
3448 126 C 44.2757 6.1675 42.9694 0.00126737 -0.00434985 0.000332333 12
3449 127 C 45.3693 6.25808 44.1087 -0.00103262 0.000744127 -0.00136737 12
3450 128 C 45.304 5.14565 45.205 0.00301872 0.00127018 0.004192 12
3451 129 C 44.5413 5.62769 46.4884 -0.00733885 0.000324694 0.0013824 12
3452 130 F 44.5772 12.5473 25.2489 -0.00024954 -0.00231494 0.000924367 12
3453 131 H 45.1292 14.5867 31.5671 0.0154409 -0.00438105 0.000921629 12
3454 132 H 45.4266 14.336 29.0892 0.00892196 0.00343963 0.0102183 12
3455 133 H 44.6243 12.3631 27.9674 -0.00694907 0.00575673 -0.00210163 12
3456 134 H 38.2808 10.2657 31.1738 -0.00284793 0.0117176 0.00701991 12
3457 135 H 38.5646 10.2061 28.7544 -0.00407378 -0.0034324 0.0107865 12
3458 136 H 40.7922 10.1046 27.6721 -0.00958197 -0.00224249 0.000157958 12
3459 137 H 45.2831 5.91015 31.7398 0.00101512 -0.0107066 -0.0154424 12
3460 138 H 45.49 5.93313 29.4573 0.00652997 0.00364627 -0.00157796 12
3461 139 H 44.708 7.89411 28.0925 -0.0110276 0.00674393 -0.00230592 12
3462 140 H 46.835 8.14104 23.6264 0.00650014 0.00254559 0.00452371 12
3463 141 H 45.2804 8.07472 25.487 0.00605216 -0.00081522 -0.00475405 12
3464 142 H 45.8293 6.10378 19.1881 0.00550098 -0.00391719 0.00768724 12
3465 143 H 46.4454 5.96783 16.7694 0.0028885 -0.000934941 0.00648322 12
3466 144 H 46.7017 7.83831 20.5742 -0.00959223 0.00970002 -0.00582256 12
3467 145 H 53.0566 10.1112 20.1388 -0.00876271 0.00594666 0.019204 12
3468 146 H 53.3427 10.171 17.7047 -0.00259023 -0.00515389 -0.00357011 12
3469 147 H 50.8117 10.1281 21.1659 0.00992642 -0.0108295 0.00120227 12
3470 148 H 46.0485 14.4009 19.1819 -0.0166029 -0.00665413 0.00168636 12
3471 149 H 46.4319 14.4168 16.7602 -0.0078868 -0.00371351 -0.00639297 12
3472 150 H 48.8129 10.2456 15.9515 -0.000902668 -0.00486306 0.00449702 12
3473 151 H 46.813 12.4605 20.5745 -0.00213039 -0.00245263 -0.00265226 12
3474 152 H 42.9252 10.2371 32.853 0.00169324 -0.00101437 -0.00171132 12
3475 153 H 53.3579 10.3185 15.2425 -0.00423068 -0.00266954 -0.00481414 12
3476 154 H 52.7284 8.73757 15.7056 -0.00159688 1.65225e-05 0.000868014 12
3477 155 H 52.0152 8.28454 13.7175 -0.00912119 -0.00319318 -0.000448872 12
3478 156 H 52.72 9.77995 13.0393 -0.00224234 -0.00166989 -0.00666543 12
3479 157 H 50.5625 10.8784 13.391 0.0130023 -0.00404224 -0.0018565 12
3480 158 H 49.8146 9.39341 14.0929 0.00252772 -0.00441382 0.00717694 12
3481 159 H 49.0072 9.51675 11.9899 0.00419501 -0.00387403 -0.00540597 12
3482 160 H 50.2558 8.186 11.9278 -0.00568601 0.0010095 -0.0102641 12
3483 161 H 51.8019 9.61305 10.7547 -0.00483524 -0.0245287 0.0201683 12
3484 162 H 50.6761 10.9778 10.7432 -0.00196273 0.00073328 0.0127181 12
3485 163 H 49.0092 9.5777 9.53112 -0.00748428 -0.00298583 -0.00303201 12
3486 164 H 50.0925 8.20988 9.50577 0.00716139 0.00321882 -0.00632506 12
3487 165 H 51.7238 9.3438 8.18327 -0.00647165 -0.00749402 0.00786549 12
3488 166 H 50.7183 10.8491 8.20562 0.0079311 0.00156307 -0.0076343 12
3489 167 H 48.9644 9.65562 6.90612 -0.00116874 -0.00417366 0.00464711 12
3490 168 H 49.8205 8.13682 7.03152 -0.00588621 0.00306542 0.00826478 12
3491 169 H 51.5907 8.92227 5.59089 -0.00340629 -0.00243941 -0.0115644 12
3492 170 H 51.0794 10.5924 5.64113 -0.00490471 -2.32751e-05 -0.00034364 12
3493 171 H 49.0139 9.98589 4.38501 -0.000465451 -0.00164184 -0.00406556 12
3494 172 H 49.5043 8.24584 4.43225 -0.00633046 -0.00136652 0.0051863 12
3495 173 H 51.575 8.77645 3.08237 -0.0115444 -0.0137758 -0.0149213 12
3496 174 H 51.1425 10.5064 3.12714 0.0140811 -0.00308107 0.000233418 12
3497 175 H 49.0338 10.0797 1.89833 -0.0112958 -0.00996835 -0.00869345 12
3498 176 H 49.6824 8.42909 1.52204 0.00051757 -0.00206453 0.00692708 12
3499 177 H 50.5213 9.91113 1.00808 -0.0111483 -0.00329081 -0.00850297 12
3500 178 H 47.5392 5.86218 14.7191 0.00372527 0.00165238 -0.00772448 12
3501 179 H 46.1257 6.90704 14.5338 0.00102908 -0.0113756 0.00827469 12
3502 180 H 47.4814 8.44586 13.1282 -0.0130774 -0.00219639 -0.0129199 12
3503 181 H 48.7756 7.2177 13.1144 0.00616449 0.0171833 0.0031153 12
3504 182 H 47.3073 5.65374 11.9444 -0.00029223 -0.000205886 0.0101265 12
3505 183 H 45.9032 6.63286 12.1379 -0.00105054 0.00337669 -0.007608 12
3506 184 H 47.3661 8.47615 10.8052 0.000757493 -0.000735359 -0.00902098 12
3507 185 H 48.3545 7.0665 10.3178 0.00474713 3.70336e-05 0.0142156 12
3508 186 H 46.259 6.01684 9.55071 -0.00565745 0.00154631 0.00112379 12
3509 187 H 45.401 7.5626 9.75459 0.00395729 -0.00245107 0.0161417 12
3510 188 H 47.178 8.50532 7.99148 -0.000810347 -0.000783841 0.0167669 12
3511 189 H 47.7903 6.87002 7.95439 0.00103981 -0.00207316 -0.0050782 12
3512 190 H 45.4688 6.07871 7.23253 -0.00458134 0.00296382 0.00251058 12
3513 191 H 44.9816 7.74911 7.08217 -0.00154787 -0.00244072 0.005803 12
3514 192 H 47.2997 6.66805 5.4065 -0.00198825 -0.00428642 -0.00266239 12
3515 193 H 45.6176 6.44078 5.01253 0.00395496 -0.00470592 -0.000378812 12
3516 194 H 45.4766 9.08148 5.50443 -0.00441902 -0.00681514 -0.00752142 12
3517 195 H 47.2 9.10666 5.32622 0.00784413 0.00145913 -0.00440803 12
3518 196 H 45.004 8.50364 3.35278 -0.00364742 0.0184012 -0.00951669 12
3519 197 H 46.3098 9.72478 3.18063 0.00700033 -0.00827044 0.00165461 12
3520 198 H 47.965 7.80774 2.82413 0.000977418 -0.000149464 -0.0103256 12
3521 199 H 46.6081 6.74764 2.74582 0.00559377 0.0019657 0.00946841 12
3522 200 H 47.508 7.66214 0.429676 -0.00189722 -0.00784506 0.00177206 12
3523 201 H 45.8033 7.62434 0.660624 -0.00358883 -0.000302884 0.00410641 12
3524 202 H 46.7289 9.18844 0.855049 0.00328334 -0.000775478 0.0088594 12
3525 203 H 49.1851 13.8125 14.8812 0.0133424 -0.0110141 0.00970406 12
3526 204 H 49.5598 12.0858 14.8483 0.0165384 0.0107057 -0.00850367 12
3527 205 H 48.3193 11.8112 12.7097 -0.0104175 0.00411496 0.000141641 12
3528 206 H 47.7212 13.472 12.7614 -0.0033883 0.00290117 0.00687626 12
3529 207 H 49.986 14.2969 12.2949 0.00690586 0.0054586 -0.00435959 12
3530 208 H 50.509 12.6152 12.1491 0.00496491 0.00657837 -0.00532304 12
3531 209 H 48.8766 12.2929 10.1904 -0.0067954 0.00286477 -0.00294667 12
3532 210 H 48.4042 13.9686 10.3509 0.012104 0.0116532 -0.0153418 12
3533 211 H 50.9935 14.4004 10.1817 -0.00733221 0.00906076 -0.00150665 12
3534 212 H 51.0429 12.804 9.42537 0.00410636 0.00771074 0.00711296 12
3535 213 H 48.9639 14.6794 8.3128 -0.00536289 -0.0120223 -0.0100336 12
3536 214 H 50.6067 15.2419 8.14025 -0.00444838 0.00226507 -0.0123893 12
3537 215 H 51.1185 12.8436 7.09269 0.00760368 0.00608692 -0.00401423 12
3538 216 H 49.3848 12.5807 7.16864 -0.00329447 -0.00201153 -0.00094148 12
3539 217 H 49.0352 14.5242 5.521 0.00174778 -0.000883903 -0.00036257 12
3540 218 H 50.7534 14.8483 5.68501 -0.00572617 0.00235777 0.0128647 12
3541 219 H 51.231 12.6418 4.52899 0.0102959 0.0165748 -0.0112651 12
3542 220 H 49.4547 12.3854 4.44841 0.0077335 -0.00755866 0.00178828 12
3543 221 H 49.2865 14.4957 3.16693 -0.00739307 -0.00930142 -0.0123347 12
3544 222 H 50.9723 14.7316 3.37304 0.0153744 -0.0100336 -0.000913506 12
3545 223 H 51.4297 12.6329 1.86834 -0.00207716 -0.00022019 -0.0166705 12
3546 224 H 49.6863 12.374 1.80945 0.0155247 -0.0153347 -0.000548612 12
3547 225 H 51.1964 14.8741 0.84894 0.00840943 -0.00635872 0.00203387 12
3548 226 H 50.5981 13.5668 -0.222648 -0.00637593 -0.00517365 0.00424051 12
3549 227 H 49.4404 14.5845 0.616181 -0.00070005 -0.0061236 -0.0157657 12
3550 228 H 39.5924 11.5378 34.5454 -0.0121201 -0.0163118 0.0118361 12
3551 229 H 38.8203 11.8413 32.9593 -0.0206968 -0.00459946 0.0035161 12
3552 230 H 37.4388 10.0493 33.18 0.000667164 0.00896992 0.00517389 12
3553 231 H 38.5833 9.0377 34.0875 0.000127137 -0.00382047 0.0105092 12
3554 232 H 36.8302 11.3791 35.2207 0.00347786 -0.0032674 0.0116267 12
3555 233 H 36.5646 9.70788 35.4553 -0.00411047 0.00171374 0.00587732 12
3556 234 H 38.2679 9.32485 36.8805 -0.00701055 -0.00395736 -0.0134826 12
3557 235 H 39.1209 10.8266 36.515 0.000145103 0.00496718 0.012519 12
3558 236 H 37.9634 12.1359 37.8078 -0.0106028 0.00577984 0.00246865 12
3559 237 H 36.3762 11.354 37.6257 0.00464036 -0.0142707 -0.00985974 12
3560 238 H 37.1836 9.44095 39.1518 2.49225e-05 0.000136583 -0.00514614 12
3561 239 H 38.7176 10.1894 39.2243 0.00243026 -0.00211602 0.00451504 12
3562 240 H 37.8299 12.1596 40.4281 0.00262062 -0.00504419 -0.00563949 12
3563 241 H 36.1832 11.4921 40.245 -0.00238512 -0.00432368 -0.00177272 12
3564 242 H 36.8505 9.48657 41.5737 -0.0113558 0.00366919 0.000579631 12
3565 243 H 38.5063 10.1281 41.7072 0.00443208 0.00143342 -0.00440748 12
3566 244 H 37.8055 12.0835 42.9334 0.0127751 -0.0073339 -0.00668307 12
3567 245 H 36.0835 11.6091 42.8399 -0.00106159 -0.0084054 -0.0084121 12
3568 246 H 36.6382 9.61461 44.2963 -0.00128503 -2.55961e-05 -0.0079367 12
3569 247 H 38.3692 9.98754 44.268 0.000797149 -0.0096372 -0.0131353 12
3570 248 H 37.8442 12.2181 45.3905 0.0101831 -0.00646833 0.00242549 12
3571 249 H 36.1586 11.6785 45.5318 -0.00136236 0.00377642 -0.0062848 12
3572 250 H 38.6204 10.1881 46.6994 0.00164297 -0.00017162 0.0066225 12
3573 251 H 37.7017 11.3118 47.6221 0.00102662 0.00273398 -0.00640811 12
3574 252 H 36.8989 9.80863 47.038 0.00960859 -0.00975469 0.00304685 12
3575 253 H 46.0337 13.2869 33.7889 0.00330684 0.000519979 -0.00966461 12
3576 254 H 45.0179 14.6959 33.4876 0.0038155 -0.00574266 -0.00724745 12
3577 255 H 43.688 14.35 35.5725 0.00824239 0.006995 -0.000663608 12
3578 256 H 44.5942 12.9287 35.8915 -0.013553 -0.00311628 0.00449193 12
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3628 4 C 0.536447 18.3171 29.3184 -0.00133361 -0.00405502 0.00235647 13
3629 5 C 0.510574 18.4206 30.7517 0.00218734 0.000921397 0.00397971 13
3630 6 C 0.962456 19.5844 31.4162 0.00164603 0.00432687 -0.00269593 13
3631 7 C -3.98197 17.0366 30.6203 -0.00278205 0.000906716 -0.00227337 13
3632 8 C -3.94361 16.929 29.1996 -0.00116386 -0.00134868 -0.000173631 13
3633 9 C -2.72056 16.8888 28.5372 0.00277003 -0.000111874 0.000739496 13
3634 10 C -1.50931 16.9722 29.2747 0.00380475 0.00466515 -0.00151174 13
3635 11 C -1.53101 17.0762 30.7031 0.000929007 0.00260711 0.000409451 13
3636 12 C -2.79213 17.1358 31.3665 0.000525137 0.00386186 -0.00161325 13
3637 13 C 1.70654 13.6873 30.9172 -0.000366006 0.00447732 -0.00105092 13
3638 14 C 1.85921 13.7501 29.5167 -0.00330455 -0.000546259 -0.00442224 13
3639 15 C 1.28093 14.8091 28.7956 0.000870807 0.00457918 -0.00205133 13
3640 16 C 0.648315 15.8534 29.4578 -0.00211385 -0.000186426 -0.00105189 13
3641 17 C -0.078428 17.0093 28.7284 -0.000169564 -0.000659695 0.000602184 13
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3646 22 C 0.0899096 16.9165 27.2563 -0.000679232 0.00306692 0.00351279 13
3647 23 C 0.596253 16.8475 26.1408 -0.000978193 0.00172445 -0.00314202 13
3648 24 C 1.39085 16.8704 24.9566 -0.00562535 -0.00133745 -0.0064825 13
3649 25 C 2.03092 15.7 24.4862 -7.15174e-05 0.00126721 -0.00261619 13
3650 26 C 2.97858 15.7233 23.4656 -0.000329129 -0.000952789 0.000389542 13
3651 27 C 3.24639 16.9669 22.8355 0.000382753 -0.00462725 -0.000709313 13
3652 28 C 2.63562 18.1405 23.3276 -0.00212746 -0.00646716 0.00256612 13
3653 29 C 1.71193 18.0931 24.3604 -0.0008981 -0.00319547 0.00199199 13
3654 30 C 4.06038 17.0388 21.684 -0.000650088 -0.000922604 0.00279973 13
3655 31 C 4.6046 17.0882 20.6049 0.00201316 0.00107414 -0.00223098 13
3656 32 C 3.5488 13.5767 18.3389 -0.00148636 -0.00159343 0.000192316 13
3657 33 C 3.86506 13.5177 16.9571 0.000822373 0.000905864 -0.000192079 13
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3659 35 C 4.82522 15.7412 17.0914 -0.00369858 0.00352732 0.00237356 13
3660 36 C 4.54351 15.7714 18.4868 -0.00391273 0.000968703 -0.000362466 13
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3662 38 C 5.03679 17.0542 19.2166 -0.00104387 0.000127128 -0.00462526 13
3663 39 C 8.91866 17.1557 19.37 0.000542704 0.000799059 -0.00244177 13
3664 40 C 9.15561 17.2404 17.9569 -0.00314971 0.00249455 0.00140427 13
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3666 42 C 6.80211 17.1224 17.4909 0.00177739 -0.00455449 -5.2524e-05 13
3667 43 C 6.53228 17.0847 18.8731 -0.00334167 0.00271321 -0.0010535 13
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3670 46 C 3.14123 20.0058 16.573 0.00285809 0.000938412 0.00140523 13
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3675 51 C 3.49803 19.1808 18.891 0.00263596 0.0049696 0.000920152 13
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3692 68 C 6.7598 16.2971 1.67221 -0.00533157 0.000166922 0.0015163 13
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3695 71 C 5.93761 13.6774 13.1065 0.0018201 -0.00193884 -0.00119428 13
3696 72 C 6.24903 12.4599 12.2119 -0.00163051 -0.00117564 0.000690949 13
3697 73 C 6.67881 12.9199 10.7886 0.000102201 0.00295332 0.00486079 13
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3701 77 C 7.08637 11.9787 5.78867 -0.00218434 -0.00320716 0.00311801 13
3702 78 C 7.09969 10.905 4.67085 -0.000750512 0.00215706 -0.000627198 13
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3707 83 C 4.33546 18.1397 12.6101 -0.000370489 0.00153238 0.0005472 13
3708 84 C 3.56582 17.5268 11.3983 0.000238635 -0.00133049 -0.0030324 13
3709 85 C 2.52525 18.4925 10.8497 0.00260237 -0.0020868 0.00379556 13
3710 86 C 2.93768 19.1188 9.5024 -0.00440932 -0.00364233 -7.39543e-05 13
3711 87 C 2.97492 18.1922 8.29513 -0.00188362 -0.00140222 0.00480841 13
3712 88 C 2.97856 18.9434 6.93454 0.00306549 0.00253746 -0.000428202 13
3713 89 C 3.20007 17.9585 5.75878 -0.00123082 -0.00183385 -0.00126606 13
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3715 91 C 2.94603 17.5937 3.31904 0.000731874 0.000461561 -0.0017709 13
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3717 93 C 3.63088 19.1016 1.34335 -0.000688031 -0.00323681 -0.000138209 13
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3719 95 C -4.9983 17.4322 33.8705 -0.00235969 -0.00188558 -0.000618186 13
3720 96 C -5.76151 17.211 35.2015 -0.000927709 -0.00153802 -0.000169101 13
3721 97 C -4.99024 17.1821 36.4992 -0.000621627 0.00204755 -0.00825398 13
3722 98 C -5.89823 17.0559 37.7428 0.00232557 0.00118574 0.00232787 13
3723 99 C -5.1424 16.9881 39.0697 3.05833e-05 0.00308514 -0.00113486 13
3724 100 C -6.12241 16.6522 40.2281 0.00293191 0.00138147 -0.00168423 13
3725 101 C -5.57339 16.8975 41.6529 0.00045474 9.52252e-05 -0.0016827 13
3726 102 C -6.63422 16.54 42.7487 0.000377511 -0.000276628 0.000419695 13
3727 103 C -6.4411 17.1885 44.0999 0.000959856 -0.00183565 0.000603647 13
3728 104 C -4.97108 17.17 44.6504 -0.00159093 0.00509507 9.87754e-05 13
3729 105 C -4.93817 17.669 46.1084 -0.00638958 -0.0055581 0.00171533 13
3730 106 C 1.62779 20.8846 33.4034 -0.00156577 0.00315612 0.00257791 13
3731 107 C 1.60793 20.9582 34.9515 -0.00564504 5.92311e-05 -0.00441582 13
3732 108 C 2.20005 22.2226 35.578 0.00186073 0.00373697 0.00152565 13
3733 109 C 1.77407 22.5012 37.0301 0.00606949 0.000511484 -8.77345e-05 13
3734 110 C 2.57317 21.7907 38.157 -0.00293632 0.00109138 -0.00256629 13
3735 111 C 2.09432 22.2981 39.5209 -0.000623402 -0.00565475 0.00159542 13
3736 112 C 2.77191 21.5762 40.6537 -0.0093486 -0.00172473 0.007678 13
3737 113 C 2.2405 22.0721 42.0178 -0.00573265 0.000551798 0.000387876 13
3738 114 C 2.88447 21.3237 43.2177 0.00260495 -0.00144093 0.000486325 13
3739 115 C 2.27378 21.8898 44.5528 -0.0066832 -0.000468284 0.000732316 13
3740 116 C 2.76108 21.1851 45.8596 0.00425001 -0.00364328 -0.00427909 13
3741 117 C 2.18018 21.9235 47.1177 0.00486245 0.000825413 -0.00115994 13
3742 118 C 1.94458 14.1199 33.7891 0.00315707 -0.00298237 -0.000810162 13
3743 119 C 1.92755 12.5516 33.9914 -0.00126838 -0.00152009 -0.00276665 13
3744 120 C 2.42429 11.9809 35.3644 0.000680207 -0.00446537 0.00141001 13
3745 121 C 2.07384 12.7358 36.6881 -0.00097809 -0.0018678 -0.000101551 13
3746 122 C 2.23838 11.8885 38.0126 -0.000288955 -0.00162407 0.00210679 13
3747 123 C 2.07822 12.7594 39.2919 -0.000994918 0.0027602 -0.00399343 13
3748 124 C 2.38372 12.0142 40.6359 0.0038118 0.00149047 -0.00351954 13
3749 125 C 2.2132 12.8654 41.9007 0.00241061 -0.00242722 -0.00262764 13
3750 126 C 2.43639 12.1013 43.2027 0.00272745 0.000239353 0.00140616 13
3751 127 C 2.57822 13.0776 44.403 -0.00365501 0.0044043 -0.00341118 13
3752 128 C 3.03994 12.4222 45.7458 -0.00263869 -0.00162883 -0.000741092 13
3753 129 C 1.80895 11.8099 46.5109 0.00406891 -0.00361916 0.000687162 13
3754 130 F 1.68646 14.4724 25.0445 0.00299274 -0.000193778 -0.00198897 13
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3949 23 C 4.93679 23.6711 26.5176 -0.000550889 0.000899976 -0.00321444 14
3950 24 C 5.72661 23.5818 25.3522 0.00118288 -0.00431939 0.000678584 14
3951 25 C 6.95825 22.9133 25.406 0.000673755 -0.00230169 0.00238593 14
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3955 29 C 5.34465 24.2789 24.1829 -0.00224255 0.00363209 0.00222637 14
3956 30 C 8.18673 23.5388 21.9507 -0.00345399 -0.00199217 -0.00136624 14
3957 31 C 8.63253 23.5601 20.8229 0.00425233 -0.00257392 0.00184997 14
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3959 33 C 7.20789 20.6946 16.8157 0.00163024 -0.00109341 0.000520044 14
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4024 98 C -1.06113 23.8305 38.2756 -2.03472e-05 0.000588604 -0.00154772 14
4025 99 C -1.87727 24.2276 39.5671 0.00192752 -0.000136456 -0.00167523 14
4026 100 C -1.15237 23.7802 40.8647 -0.00207573 0.00401406 -3.5426e-05 14
4027 101 C -1.76318 24.3027 42.1917 -0.00513889 0.00407155 0.000505471 14
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4254 26 C 11.1803 15.6674 23.6345 -0.0013313 0.0042232 -0.00154132 15
4255 27 C 11.5606 16.9174 23.1509 0.00718305 -0.00205283 0.00124462 15
4256 28 C 10.9088 18.0503 23.6441 0.00158257 -0.000830023 -0.000120334 15
4257 29 C 9.94428 17.9632 24.6589 0.000421833 0.00186414 0.000800393 15
4258 30 C 12.3128 17.0271 21.9569 0.000701833 0.000238263 -0.00218934 15
4259 31 C 12.7527 17.0531 20.8291 0.00160156 0.00436834 0.000178879 15
4260 32 C 11.1644 13.7978 18.5307 -0.00335539 0.00310027 0.000941457 15
4261 33 C 11.497 13.7763 17.1723 0.00156954 0.000441645 0.00372102 15
4262 34 C 12.1621 14.7993 16.4982 0.000163718 -0.000490226 0.000501504 15
4263 35 C 12.528 15.9144 17.2789 -0.00396279 -0.00598904 0.00197171 15
4264 36 C 12.3369 15.9164 18.6506 0.00139578 0.0046067 0.00190502 15
4265 37 C 11.6232 14.8864 19.2912 0.0038301 0.00335474 0.000799645 15
4266 38 C 12.9815 17.0842 19.4051 0.000856786 -0.00287866 -0.00262008 15
4267 39 C 16.8565 17.0916 19.0459 -0.00179813 0.000169432 -0.000498857 15
4268 40 C 16.9784 17.219 17.6405 -0.000995573 0.00131731 -0.00452707 15
4269 41 C 15.8024 17.2606 16.8341 0.00525559 0.00201267 0.000687314 15
4270 42 C 14.5495 17.2083 17.4583 -0.00469894 0.000916654 0.000164417 15
4271 43 C 14.4418 17.1145 18.8642 -0.00198329 -0.00171228 0.00261802 15
4272 44 C 15.6146 17.0032 19.6765 0.00247561 -0.0015283 0.0022748 15
4273 45 C 10.942 20.3257 18.6221 -0.00216626 0.00305606 0.00563602 15
4274 46 C 11.129 20.351 17.2333 0.00189241 0.00443124 0.00066342 15
4275 47 C 11.9179 19.401 16.6016 -0.00369057 0.000985599 -0.00123606 15
4276 48 C 12.4427 18.3686 17.342 0.00673335 -0.000368455 -0.002473 15
4277 49 C 13.2079 17.1859 16.7383 0.00105257 0.00306058 0.00176694 15
4278 50 C 12.2814 18.298 18.7488 -0.00292941 -0.00250582 0.00407042 15
4279 51 C 11.5385 19.3319 19.3802 0.00125493 -0.00206585 -0.00343275 15
4280 52 O 15.9232 17.5642 15.496 -0.00175795 0.00225264 0.000640154 15
4281 53 O 12.5062 14.6762 15.2025 -0.00108454 0.000668603 0.00055452 15
4282 54 O 12.24 19.5195 15.2589 0.00321409 -0.00386796 -0.00169188 15
4283 55 C 7.59585 17.0598 31.5801 -0.000569057 -0.000262736 0.0028934 15
4284 56 C 8.42173 15.7653 31.1658 0.000886637 0.00217514 0.00181733 15
4285 57 C 15.6544 16.6226 14.4384 0.00045398 -0.00221851 -0.00107463 15
4286 58 C 15.7888 17.3038 13.0694 -0.00146854 -0.00298199 0.00132973 15
4287 59 C 15.0923 16.5176 11.9706 -0.00185789 -0.00516008 0.00118983 15
4288 60 C 15.4786 16.8968 10.5119 0.00162159 0.00376805 0.00064633 15
4289 61 C 14.6815 16.0045 9.48681 3.09305e-05 0.000885056 -0.000589305 15
4290 62 C 15.3439 15.8031 8.10217 -0.00335474 0.000902777 -0.000679154 15
4291 63 C 15.5513 17.1302 7.32936 0.000382114 0.00128549 0.0035386 15
4292 64 C 15.8032 16.9189 5.81414 -0.00168369 -0.00217995 -0.000885744 15
4293 65 C 14.5505 16.9534 4.97658 -0.00179623 -0.00590311 -0.00244481 15
4294 66 C 14.8286 16.5857 3.49734 -0.00189292 -0.00088898 -0.000297398 15
4295 67 C 15.4765 17.714 2.64718 0.00252062 0.000811652 -0.00191964 15
4296 68 C 15.4818 17.3844 1.1205 -0.000992222 0.00156577 0.00131057 15
4297 69 F 11.6984 14.5325 23.1307 0.00347951 -0.000190106 -0.0042994 15
4298 70 C 12.9728 13.3961 14.7513 0.00261749 0.00138207 -0.00058092 15
4299 71 C 13.7641 13.6856 13.4874 0.0028584 4.21196e-06 0.00198761 15
4300 72 C 14.0745 12.3966 12.6652 -0.000406739 -0.000877208 -0.00119792 15
4301 73 C 14.4033 12.7077 11.203 -0.0026789 -0.00073051 0.00520473 15
4302 74 C 14.9278 11.5416 10.3918 -0.00260867 -0.00525344 -0.00659512 15
4303 75 C 15.5253 11.911 9.04616 -0.000588637 0.00289703 -0.00166607 15
4304 76 C 14.5511 12.23 7.87824 -0.000614584 -0.00180901 -0.00248418 15
4305 77 C 15.3689 12.4271 6.60305 -0.00362232 0.00510055 0.00110084 15
4306 78 C 14.5696 12.732 5.32834 0.000530477 0.000236874 -0.00240266 15
4307 79 C 15.5975 12.9268 4.19844 -0.00190943 0.00112154 -7.1624e-05 15
4308 80 C 14.9084 13.1535 2.84744 -0.0050575 0.0022774 0.00122964 15
4309 81 C 14.3942 11.8815 2.18377 0.00256382 0.000438084 -0.000107338 15
4310 82 C 11.4162 18.9027 14.2762 -0.00808104 -0.00301813 -0.00350201 15
4311 83 C 12.198 18.8727 12.9557 -0.000782999 0.00195079 0.00316319 15
4312 84 C 11.3031 18.3985 11.8073 -0.00164101 -0.000925115 -0.000188779 15
4313 85 C 11.9616 18.704 10.443 -0.000714645 -0.00111855 0.00235698 15
4314 86 C 11.0387 18.3101 9.25524 -0.00188701 -0.0010791 0.00354514 15
4315 87 C 11.6337 18.5274 7.85005 -0.000410628 -0.00200203 0.00101926 15
4316 88 C 10.6354 18.1817 6.73657 0.00604729 0.00210142 -0.0020711 15
4317 89 C 11.2136 18.2378 5.30986 0.00339478 6.8312e-05 0.00120095 15
4318 90 C 10.089 18.4551 4.29063 -0.00136511 0.00174725 -0.00360623 15
4319 91 C 10.4462 18.004 2.8459 -0.0015305 0.000165774 -0.0050202 15
4320 92 C 11.6459 18.7273 2.22007 0.00111911 -0.00331705 0.00282039 15
4321 93 C 11.7819 18.3315 0.738941 0.00354296 0.00111899 0.00438518 15
4322 94 C 3.28955 17.3224 32.9878 0.00515634 0.000786031 -0.000477573 15
4323 95 C 3.10337 17.19 34.4953 0.00259033 0.00347328 0.000592461 15
4324 96 C 1.62218 17.2615 34.9126 -0.000374188 0.00167269 0.00303283 15
4325 97 C 1.40718 16.8811 36.4122 0.000893385 -0.00137139 0.000136895 15
4326 98 C 2.14912 17.6298 37.5025 0.00182967 0.000233838 -0.0028359 15
4327 99 C 1.82855 16.9102 38.8438 0.00150568 0.00193449 0.00011266 15
4328 100 C 2.21174 17.6538 40.0953 0.000985445 -0.00250288 0.0049014 15
4329 101 C 2.18856 16.7502 41.3254 -0.00422685 -0.00114751 0.000339951 15
4330 102 C 2.26715 17.4724 42.6871 0.00266477 -0.010919 -0.00023549 15
4331 103 C 2.48886 16.4664 43.8411 -0.00473074 -0.000284717 0.00127202 15
4332 104 C 2.38105 17.1146 45.2393 0.00155952 -0.000721599 -0.00110244 15
4333 105 C 2.61793 16.1035 46.3698 0.00452961 -0.00416257 -0.00332736 15
4334 106 C 9.55279 20.6824 33.5823 -0.00726479 0.00213599 0.000722786 15
4335 107 C 9.69197 20.6863 35.0997 -0.00264956 -0.00138351 -6.30056e-05 15
4336 108 C 10.1539 22.0644 35.6608 0.00104552 -0.00188606 6.06088e-05 15
4337 109 C 9.75853 22.3894 37.1474 -0.000344865 0.000150859 -0.000307796 15
4338 110 C 10.2993 21.4853 38.2724 0.000600667 -7.68592e-05 -0.00526453 15
4339 111 C 10.4036 22.1616 39.6475 0.00129857 0.00373691 -0.001355 15
4340 112 C 9.07493 22.2798 40.4663 -0.00189412 -0.000499663 0.00355004 15
4341 113 C 8.72581 21.0337 41.3096 0.0031465 -0.000642535 -0.00150295 15
4342 114 C 9.7064 20.6604 42.4809 -0.00129305 0.000737795 0.00101532 15
4343 115 C 9.95182 21.8594 43.4754 0.00552981 -0.00243865 0.00304406 15
4344 116 C 10.5456 21.3968 44.8537 -0.000323441 0.00163742 -0.00289567 15
4345 117 C 9.46986 20.794 45.7957 0.000220431 0.00229603 -0.000519134 15
4346 118 C 9.4846 13.66 34.1319 0.000586888 -0.000881134 0.00164898 15
4347 119 C 8.9357 13.5749 35.5715 0.000232187 0.000285493 0.000915365 15
4348 120 C 9.80887 12.7749 36.6104 -0.00292498 0.000311211 0.00109902 15
4349 121 C 9.23389 12.9336 38.0417 -0.00312228 -0.000651889 -0.00287089 15
4350 122 C 10.2409 12.8082 39.1524 0.000862153 0.0029453 -0.000134516 15
4351 123 C 9.55034 12.717 40.5211 -0.00195108 -0.000960321 0.0018684 15
4352 124 C 10.5532 12.4983 41.6847 0.000371624 0.00202668 -0.00366568 15
4353 125 C 9.80393 12.4615 43.0125 0.00284904 -0.000865781 -0.00119505 15
4354 126 C 10.7138 12.1524 44.1999 0.00333125 -0.00561385 -0.0013215 15
4355 127 C 9.9781 12.3606 45.5491 0.00184747 0.000759635 -0.00156693 15
4356 128 C 10.6614 11.6727 46.731 0.00458601 -0.000901526 -0.00215814 15
4357 129 C 11.968 12.3539 47.106 0.00170895 -0.0014779 -0.000764945 15
4358 130 F 9.87718 14.3178 25.0999 0.00128244 0.000374256 0.00205776 15
4359 131 H 9.87333 21.2821 31.277 0.00612161 0.000667282 0.00140699 15
4360 132 H 9.77906 21.2074 28.8474 -0.00151651 0.0085017 0.00607896 15
4361 133 H 8.94969 19.1794 27.7042 -0.000162326 -0.00296119 -0.000709047 15
4362 134 H 2.84621 17.3618 30.518 -0.00593257 -0.0106222 -0.00488371 15
4363 135 H 3.28738 17.0471 28.2141 -0.00973586 -0.00589825 0.00806897 15
4364 136 H 5.55685 16.7716 27.3676 -0.00456565 -0.00512994 0.00124736 15
4365 137 H 10.0042 12.7964 31.801 -0.0138289 -0.00923098 -0.000824172 15
4366 138 H 10.0969 12.7001 29.3585 -0.00965262 -0.00835898 0.0101162 15
4367 139 H 9.28318 14.5294 28.0547 -0.0057736 -0.000673247 0.00102837 15
4368 140 H 11.136 18.9847 23.1394 -0.00143069 -0.00390126 -0.00719681 15
4369 141 H 9.48023 18.8553 25.069 -0.00181539 9.16477e-05 0.00213319 15
4370 142 H 10.5703 12.9984 18.9637 -0.00438218 0.00170779 -0.00302533 15
4371 143 H 11.1904 12.9248 16.572 -0.00186034 0.00154619 0.00390813 15
4372 144 H 11.4509 14.9211 20.3629 0.0051576 0.00323369 0.00101814 15
4373 145 H 17.761 17.0557 19.6459 -0.00523062 0.00320816 0.00485149 15
4374 146 H 17.958 17.2874 17.1767 -0.00227944 -0.0131223 -0.00936512 15
4375 147 H 15.5857 16.8807 20.7552 0.0015045 -0.0182263 0.000355328 15
4376 148 H 10.3267 21.0628 19.1296 0.00102957 0.00283893 0.00982948 15
4377 149 H 10.6728 21.1563 16.6652 -0.0151778 0.00298294 0.0122944 15
4378 150 H 13.2591 17.2986 15.6483 -0.00802371 0.0107091 0.00211464 15
4379 151 H 11.3941 19.2436 20.4529 0.00585297 -0.00775438 -0.00325726 15
4380 152 H 7.44151 17.1328 32.6637 0.00216161 -0.00240344 0.00342974 15
4381 153 H 16.3512 15.7777 14.5008 0.0042473 0.000823082 -0.00218723 15
4382 154 H 14.6135 16.2906 14.5367 -0.00217142 0.00368749 -0.00882886 15
4383 155 H 16.8686 17.3581 12.8839 -0.00230321 -0.0142432 -0.00674286 15
4384 156 H 15.4207 18.3371 13.08 -0.00169641 -0.00291599 -0.0126142 15
4385 157 H 14.0119 16.5812 12.1504 -0.00174241 0.0110949 -0.00381931 15
4386 158 H 15.4123 15.4786 12.1177 0.00403607 -0.00344907 0.000501027 15
4387 159 H 16.5494 16.7541 10.3211 0.000706422 0.0071089 -0.00706117 15
4388 160 H 15.3133 17.9623 10.3098 -0.00583869 0.00201268 -0.00248306 15
4389 161 H 13.7174 16.5013 9.32188 -0.000115725 0.00185163 0.00316907 15
4390 162 H 14.4983 15.0072 9.9053 -0.0115046 0.00493856 0.00399354 15
4391 163 H 14.6524 15.2464 7.45781 0.0024255 0.00372633 -0.00935433 15
4392 164 H 16.2928 15.2536 8.13541 -0.00158922 0.00485482 0.0136387 15
4393 165 H 16.4402 17.6191 7.74676 0.000736194 0.00365364 1.1146e-05 15
4394 166 H 14.6524 17.7437 7.46691 0.00175152 0.00239514 0.00750231 15
4395 167 H 16.3847 16.0043 5.64437 0.00163031 -0.00151256 0.00683069 15
4396 168 H 16.5067 17.6749 5.44416 0.00643234 -0.00744493 0.00373781 15
4397 169 H 14.089 17.9418 5.09272 0.00603345 -0.00370027 0.0101255 15
4398 170 H 13.8855 16.211 5.43486 0.00276239 -0.0116213 -0.00508593 15
4399 171 H 13.8923 16.3073 2.99809 -0.011364 -0.00463289 0.0196079 15
4400 172 H 15.47 15.6969 3.45036 0.00114866 0.00130353 -0.000221812 15
4401 173 H 16.4896 17.9396 3.00228 0.00215082 -0.00317758 0.0016601 15
4402 174 H 14.9142 18.6536 2.71334 0.00560089 0.00229866 0.00303972 15
4403 175 H 15.8888 16.3802 0.949252 -0.00480783 0.000290804 -0.000260502 15
4404 176 H 16.1087 18.0724 0.539854 -0.0112673 0.0054092 -0.00521419 15
4405 177 H 14.4556 17.3929 0.73284 -0.00479065 0.00612477 0.0114476 15
4406 178 H 13.5441 12.8881 15.538 0.00682801 0.00655346 -0.000300542 15
4407 179 H 12.0993 12.7746 14.5187 0.00826814 -0.00875313 0.00534545 15
4408 180 H 13.3161 14.445 12.8346 0.0189554 -0.000103252 -0.00922365 15
4409 181 H 14.6859 14.1235 13.8897 -0.00264687 0.011997 0.00152458 15
4410 182 H 14.8729 11.7881 13.1076 0.000375445 -0.00189609 -0.00400678 15
4411 183 H 13.2077 11.7286 12.7412 -0.00749565 0.0076952 -0.00689479 15
4412 184 H 13.5381 13.1542 10.6975 -0.00414023 -0.00597334 0.00308227 15
4413 185 H 15.186 13.4758 11.174 -0.00413729 0.000701739 0.00374604 15
4414 186 H 15.6981 10.9914 10.9461 -0.00409595 -0.000444683 0.000222904 15
4415 187 H 14.0914 10.8641 10.1799 -0.00381986 -0.00103195 -0.015345 15
4416 188 H 16.3133 12.6613 9.18592 -0.000573249 0.00242975 0.000776283 15
4417 189 H 16.0479 11.0168 8.68447 -0.00106756 0.000189162 0.00436322 15
4418 190 H 13.835 11.4095 7.74677 0.00181818 -0.00430043 -0.000170355 15
4419 191 H 13.9617 13.1441 8.02181 0.00284225 -0.000639983 0.00416417 15
4420 192 H 16.0334 13.2937 6.70763 -0.00032646 0.00316355 -0.00373446 15
4421 193 H 15.9997 11.54 6.46684 -0.00867139 0.00119679 0.00312614 15
4422 194 H 13.9526 11.8577 5.08686 0.0028621 -0.000909505 -0.00423107 15
4423 195 H 13.9545 13.6307 5.46045 -0.0160023 -0.00962365 -0.0124176 15
4424 196 H 16.2443 13.7838 4.4236 -0.00400707 0.00713756 -0.0169242 15
4425 197 H 16.2004 12.0137 4.1202 0.00210593 0.00293917 0.00979047 15
4426 198 H 14.0609 13.8474 2.9079 -0.000198937 0.00687659 0.0160464 15
4427 199 H 15.6044 13.6305 2.14642 -0.0136245 -0.00272053 -0.0107014 15
4428 200 H 13.6541 11.3955 2.83133 0.00893927 -0.00522875 0.00294305 15
4429 201 H 13.9375 12.1196 1.21523 0.00429286 -0.0111001 -0.00376232 15
4430 202 H 15.2307 11.1798 2.07725 0.000719176 -0.00258655 0.00526042 15
4431 203 H 11.1681 17.871 14.5544 0.0032116 0.000531458 0.0197103 15
4432 204 H 10.5178 19.5168 14.1381 0.00166545 0.0106837 -0.00613307 15
4433 205 H 12.6019 19.8685 12.7351 0.0131983 -0.00458695 -0.00077945 15
4434 206 H 13.0849 18.2347 13.0545 -0.0086791 -0.00957494 -0.000476932 15
4435 207 H 11.0836 17.3255 11.8694 0.00930604 -0.00284351 0.00525449 15
4436 208 H 10.3595 18.9556 11.8599 -0.000930614 -0.00028953 0.00586451 15
4437 209 H 12.1967 19.7737 10.3809 -0.0125812 0.000973949 -0.00648299 15
4438 210 H 12.9205 18.1746 10.382 -0.00172509 -0.00249209 -0.00160138 15
4439 211 H 10.7815 17.2472 9.34092 -0.00509837 9.70666e-05 0.00844545 15
4440 212 H 10.1198 18.9048 9.32741 -0.0011433 0.000584399 -0.000677418 15
4441 213 H 11.9058 19.5838 7.73413 -0.00346068 -0.000335144 0.00906446 15
4442 214 H 12.5557 17.9449 7.73216 0.00129276 0.00485487 -0.0196035 15
4443 215 H 10.2079 17.1771 6.84405 -0.0148769 0.0120267 0.00731522 15
4444 216 H 9.82118 18.9064 6.86073 -0.0039331 -0.0102239 0.00440875 15
4445 217 H 12.0041 18.9924 5.21357 -0.0109517 0.0162827 0.0104882 15
4446 218 H 11.5976 17.2391 5.06792 0.0102461 0.000488515 0.0104538 15
4447 219 H 9.18623 17.9236 4.61608 0.00435734 -0.0104883 -0.00774483 15
4448 220 H 9.8077 19.5155 4.29669 0.00483673 0.00339985 -0.00591822 15
4449 221 H 10.6392 16.9241 2.84735 -0.00266939 -4.7787e-05 -0.0154177 15
4450 222 H 9.56998 18.1731 2.20789 -0.00224773 -0.0050927 -0.00542686 15
4451 223 H 11.442 19.7961 2.3602 0.00278379 -0.00196826 -0.00516686 15
4452 224 H 12.6022 18.5415 2.72441 0.00255106 0.0041664 0.00288888 15
4453 225 H 11.7911 17.2404 0.625878 -0.00145442 0.00146843 0.000618662 15
4454 226 H 10.9601 18.7458 0.141929 0.00157871 -0.00821332 0.000618475 15
4455 227 H 12.7087 18.689 0.273487 0.00492046 -0.000703972 0.0057278 15
4456 228 H 2.86703 18.2898 32.6896 0.0034644 -0.000500063 -0.0022425 15
4457 229 H 2.7404 16.5043 32.5055 -0.0082233 0.00378421 0.00969 15
4458 230 H 3.56285 16.2628 34.8594 0.0045498 0.00551508 0.00332603 15
4459 231 H 3.53791 18.0638 34.9963 0.0102331 -0.00234203 0.00405732 15
4460 232 H 1.23519 18.2775 34.7661 -0.000667982 0.00299958 0.0129372 15
4461 233 H 0.941865 16.6056 34.3555 0.00582377 -0.00169625 -0.00053814 15
4462 234 H 0.350174 16.9429 36.6991 4.43537e-05 -0.0135272 -0.000352557 15
4463 235 H 1.68067 15.8209 36.4795 -0.0151146 -0.00525451 0.00397681 15
4464 236 H 3.23731 17.6238 37.3638 -8.3537e-06 -0.00557599 -0.016864 15
4465 237 H 1.81939 18.6747 37.5553 -0.0024117 -0.00138643 0.00287511 15
4466 238 H 0.755955 16.7102 38.9576 0.00152623 0.000204015 -0.00279177 15
4467 239 H 2.4104 15.9803 38.8441 0.00396296 0.00346442 -0.00445844 15
4468 240 H 3.16304 18.1795 39.9468 -0.000891618 0.000180904 0.0023402 15
4469 241 H 1.43615 18.4035 40.2945 0.00703907 0.00338347 0.00627464 15
4470 242 H 1.33608 16.061 41.2837 -0.000569953 -0.00627024 0.0102956 15
4471 243 H 3.10343 16.1483 41.2611 0.00375131 0.00997772 0.00931808 15
4472 244 H 3.07031 18.2196 42.6903 0.00107056 -0.00924103 0.00793351 15
4473 245 H 1.3238 18.0084 42.849 0.00216868 -0.0100395 -0.00603583 15
4474 246 H 1.83132 15.5935 43.7452 0.00847085 -0.00908168 -0.00967818 15
4475 247 H 3.48827 16.0332 43.7109 -0.00788708 -0.00523622 -0.00655861 15
4476 248 H 3.12437 17.9072 45.3899 -0.000514178 0.00118102 -0.000885757 15
4477 249 H 1.38964 17.5581 45.3937 -0.000114914 -0.000367556 -0.0129409 15
4478 250 H 3.59969 15.6407 46.2107 0.0155993 0.0158786 0.00681863 15
4479 251 H 2.58069 16.5409 47.3751 0.00824742 -0.0151675 0.00161262 15
4480 252 H 1.89105 15.2823 46.346 -0.00178831 0.00134335 -0.00016267 15
4481 253 H 10.5484 20.8701 33.1617 -0.008115 -0.000164435 -0.00232045 15
4482 254 H 8.89199 21.5261 33.3479 0.00121849 0.00727476 -0.00467045 15
4483 255 H 8.77657 20.3614 35.6095 -0.0115675 0.00635432 -0.0111395 15
4484 256 H 10.4904 19.9535 35.2699 -0.00401342 -0.00629915 -0.0146522 15
4485 257 H 11.2427 22.0817 35.5282 0.00262909 0.00167492 0.0137069 15
4486 258 H 9.82018 22.8469 34.9682 0.00309133 -0.00417926 -0.00352929 15
4487 259 H 10.1101 23.4078 37.3537 -0.00369452 0.00258636 -0.00664825 15
4488 260 H 8.66671 22.3457 37.2445 -0.000541603 0.00213925 -0.00163349 15
4489 261 H 9.73722 20.5509 38.3922 0.00328964 -0.00123355 -0.00161572 15
4490 262 H 11.3487 21.3079 38.0063 0.000159953 -0.00649496 -0.00267063 15
4491 263 H 11.1954 21.6646 40.2213 0.0048937 0.00879843 -0.00193367 15
4492 264 H 10.6914 23.1998 39.4406 0.0107869 0.00319697 0.00929857 15
4493 265 H 9.13672 23.1204 41.1684 0.00629785 -0.0146415 0.0197759 15
4494 266 H 8.26869 22.5292 39.7655 0.00130447 -0.00845083 -0.00295513 15
4495 267 H 7.75507 21.2125 41.7882 -0.00879999 -0.0273784 -0.0157339 15
4496 268 H 8.60187 20.163 40.6538 0.0119045 0.00456157 -0.0100542 15
4497 269 H 9.31345 19.8077 43.0483 0.00663872 0.011024 0.0220313 15
4498 270 H 10.6603 20.3242 42.0561 0.000919716 0.00363992 0.00369199 15
4499 271 H 10.6655 22.5777 43.0533 0.00608172 -0.00291913 0.00315879 15
4500 272 H 9.02794 22.4223 43.657 -0.00282379 -0.0181389 0.00918835 15
4501 273 H 11.3792 20.7053 44.6797 -0.0113623 -0.010067 -0.00919106 15
4502 274 H 10.9883 22.2972 45.2973 0.00508628 -0.00272429 0.000534505 15
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4504 276 H 8.87507 20.0588 45.2396 -0.00424238 0.0055309 -1.90382e-05 15
4505 277 H 9.94815 20.3452 46.675 -0.00386557 -0.00194794 -0.000471405 15
4506 278 H 9.40226 12.6416 33.7327 -0.001593 -0.00727272 0.0183932 15
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4508 280 H 7.9369 13.1279 35.4943 -0.00550858 0.0129787 0.00161056 15
4509 281 H 8.77498 14.5736 35.9959 0.00816744 0.00047753 0.00347373 15
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4511 283 H 9.84914 11.7164 36.3251 0.0069892 -0.00219803 0.0118826 15
4512 284 H 8.44023 12.1831 38.1428 -0.00174813 -0.00347555 -0.0129291 15
4513 285 H 8.74594 13.9094 38.1563 -0.0204363 -0.00815972 -0.012541 15
4514 286 H 10.8369 13.7291 39.1644 0.0068113 -0.00108 0.0144698 15
4515 287 H 10.9421 11.9777 39.0034 0.00627205 0.00708787 0.00217369 15
4516 288 H 8.83227 11.8878 40.5331 -0.0112619 0.00706185 -0.000737735 15
4517 289 H 8.92117 13.6065 40.6492 0.0179063 0.0110115 0.0157943 15
4518 290 H 11.3496 13.2469 41.7783 8.20534e-05 0.00246982 -0.00477917 15
4519 291 H 11.0229 11.5148 41.5597 0.00250334 0.00219518 0.00298657 15
4520 292 H 8.97263 11.7511 42.9243 0.00712768 -0.00774429 0.0142385 15
4521 293 H 9.32904 13.4332 43.1957 0.00442637 0.00168608 -0.0106805 15
4522 294 H 11.5549 12.8563 44.1816 0.00614521 -0.00893466 0.000509189 15
4523 295 H 11.1083 11.1351 44.0864 0.0176382 0.000565291 -0.007037 15
4524 296 H 8.97484 11.9203 45.4942 0.00112164 0.00278061 -0.00442499 15
4525 297 H 9.9399 13.4323 45.78 0.0153363 0.000668164 0.00123716 15
4526 298 H 10.8045 10.6269 46.4322 -0.00539502 -0.00438956 0.00525682 15
4527 299 H 9.97516 11.6404 47.5862 0.00491561 -0.00755266 -0.00213427 15
4528 300 H 12.7114 12.1854 46.3172 -0.00168284 -0.000534829 -0.0041593 15
4529 301 H 12.403 11.9466 48.027 0.00219272 -0.0107351 -0.00509279 15
4530 302 H 11.8333 13.4314 47.2623 -0.0135005 -0.00523468 0.0120086 15
4531 1 C 13.4326 27.2114 31.5744 -0.00312528 0.00175906 -0.00115151 16
4532 2 C 13.6639 27.1255 30.2121 -0.000682688 -0.000148633 -0.000152444 16
4533 3 C 13.2938 26.0238 29.4829 0.00222341 0.00332907 -0.000522819 16
4534 4 C 12.6457 24.9872 30.1514 0.00179444 -0.00096473 0.00399189 16
4535 5 C 12.4013 25.012 31.556 -0.000622426 0.00481864 -0.00304663 16
4536 6 C 12.803 26.1821 32.3013 -0.00124156 -0.00643606 0.000894902 16
4537 7 C 7.95669 23.8981 30.7914 -3.73074e-05 -5.6262e-06 -0.0041597 16
4538 8 C 8.14255 23.7912 29.4285 0.00288513 0.00253632 0.000133031 16
4539 9 C 9.47076 23.7498 28.8913 -0.00186059 0.00142241 0.00253367 16
4540 10 C 10.5301 23.7439 29.8002 -0.0021268 -0.000816648 0.00134985 16
4541 11 C 10.3288 23.7913 31.2076 -0.00707388 -0.00193331 0.00171787 16
4542 12 C 9.00109 23.919 31.6914 -0.00177209 -0.00067562 0.00292343 16
4543 13 C 13.4711 20.2972 31.5519 0.0034384 0.000936707 0.00469894 16
4544 14 C 13.598 20.3429 30.1575 0.00087673 -0.00315855 -0.00132337 16
4545 15 C 13.1271 21.4539 29.4539 0.00630068 0.00537326 -0.00118708 16
4546 16 C 12.5535 22.5119 30.1442 0.00314848 -0.00329145 -0.00447689 16
4547 17 C 12.024 23.748 29.433 0.00624596 -0.00325193 -0.000420995 16
4548 18 O 12.8841 21.2683 33.6587 -0.000782144 0.000158547 -0.00168485 16
4549 19 O 8.72931 24.0244 33.0664 0.00122668 -0.00497133 -0.000983777 16
4550 20 O 12.6395 26.3357 33.6776 0.0010902 0.00335897 0.00625785 16
4551 21 C 12.9328 21.3676 32.2833 0.000656092 -6.45989e-05 -0.000492715 16
4552 22 C 12.4119 23.769 28.0041 -0.00501956 -0.00298912 0.00503425 16
4553 23 C 12.9487 23.6902 26.9137 -0.00674627 -0.00452202 0.00153609 16
4554 24 C 13.6497 23.6549 25.6736 0.00149275 -0.00103986 0.00438254 16
4555 25 C 14.6602 22.685 25.4608 -0.000531618 -0.000958317 -0.00125677 16
4556 26 C 15.4418 22.7264 24.3027 0.00194225 0.000840742 0.000159457 16
4557 27 C 15.1889 23.7088 23.3201 -0.00236644 0.00220241 -0.00439604 16
4558 28 C 14.1777 24.645 23.5552 -0.00261407 -0.0029673 -0.000129314 16
4559 29 C 13.4178 24.6167 24.6997 0.00196442 -0.00358883 0.00479377 16
4560 30 C 15.9404 23.7285 22.1135 0.00467095 -0.000388866 -0.00331921 16
4561 31 C 16.4595 23.76 21.0188 0.000578836 -0.00406759 -0.00616779 16
4562 32 C 14.9235 20.4968 18.5692 0.0028192 -0.00597042 0.000540617 16
4563 33 C 15.0132 20.5591 17.1659 -0.00198555 0.00538905 -0.000490186 16
4564 34 C 15.6646 21.6685 16.5706 -0.00517841 -0.00126194 -0.00576636 16
4565 35 C 16.2332 22.6521 17.4103 -0.00149805 -0.00066313 -0.00176997 16
4566 36 C 16.0749 22.6026 18.8125 0.00340684 -0.000277679 -0.000115812 16
4567 37 C 15.4806 21.4804 19.3945 -0.00324528 -0.00250223 0.00266501 16
4568 38 C 16.7642 23.7746 19.5974 0.00334413 -0.00225866 0.00413973 16
4569 39 C 20.6777 24.0093 19.2531 0.000417501 -0.00190552 -0.00153765 16
4570 40 C 20.8023 23.9553 17.8501 0.000341632 0.00435246 0.00187821 16
4571 41 C 19.6668 23.732 17.0637 0.000441769 0.000258781 0.00152713 16
4572 42 C 18.398 23.6896 17.6974 -0.0010238 0.00344075 0.00119455 16
4573 43 C 18.2565 23.7109 19.1337 -0.0040993 0.00120488 0.00174227 16
4574 44 C 19.4234 23.8683 19.8999 0.000191764 0.000650572 0.00309793 16
4575 45 C 15.3823 27.3319 18.8232 -0.00112711 -0.00204898 0.00196405 16
4576 46 C 15.5322 27.3401 17.4541 0.00292553 -0.00324977 -0.00133215 16
4577 47 C 16.0397 26.2288 16.7371 0.00229847 7.60992e-05 -0.00274204 16
4578 48 C 16.3913 25.0692 17.4863 -0.00474981 -0.00398553 0.00230664 16
4579 49 C 17.0765 23.8276 16.9259 -0.00324419 -0.00171414 0.00184448 16
4580 50 C 16.2595 25.0401 18.8808 -0.000993305 -0.00601052 0.000953082 16
4581 51 C 15.7286 26.1682 19.532 -0.00156672 -0.00338197 0.00229711 16
4582 52 O 19.8512 23.7202 15.645 0.00256603 0.000469892 -0.00131895 16
4583 53 O 15.7509 21.8421 15.2225 -0.00241877 0.00300499 0.000884094 16
4584 54 O 16.3621 26.26 15.4171 0.00165949 -0.000903012 -0.00502973 16
4585 55 C 11.6254 23.7334 32.0605 0.00579273 0.000613649 -0.00324761 16
4586 56 C 12.4272 22.4811 31.5546 -0.000837237 -0.00344539 -0.00496701 16
4587 57 C 19.5383 22.536 14.8613 -0.00121962 0.00155661 -0.00268707 16
4588 58 C 18.6443 22.8543 13.6233 0.00308202 -0.000760137 -0.00583271 16
4589 59 C 19.408 23.1265 12.3405 -0.00106801 -0.00184227 0.00247966 16
4590 60 C 18.5007 23.0668 11.1085 0.00283475 -0.00141414 -0.00677248 16
4591 61 C 19.2755 23.3088 9.78131 -0.00060111 -0.00251283 0.00102493 16
4592 62 C 18.3654 23.1132 8.53707 -0.00335819 -0.000327136 0.00106966 16
4593 63 C 19.146 23.5338 7.2541 -0.00272902 0.00281932 0.0019058 16
4594 64 C 18.2399 23.4007 6.00535 -0.0031539 0.0004731 0.000788554 16
4595 65 C 18.9759 23.78 4.72744 0.00140333 0.00014135 -8.04706e-05 16
4596 66 C 18.0568 23.7286 3.48101 0.00162288 0.00193999 0.00339949 16
4597 67 C 18.6649 24.337 2.19024 -0.000390887 -0.00395365 0.000178025 16
4598 68 C 19.6312 23.4041 1.55623 0.00494993 -0.00230401 0.000186486 16
4599 69 F 16.4825 21.8985 24.1967 0.00218852 -0.00251035 6.24529e-05 16
4600 70 C 15.2068 21.0242 14.1737 0.00299897 0.00171171 -0.00044496 16
4601 71 C 15.1455 21.8503 12.8507 -0.00185499 -0.00237559 0.0017729 16
4602 72 C 15.3284 20.9462 11.6476 -0.000450562 -0.0038385 -0.000339571 16
4603 73 C 15.1064 21.6906 10.304 -6.89587e-06 -0.000100043 0.00128442 16
4604 74 C 15.0667 20.7214 9.07142 -0.000207737 0.000826902 -0.00357344 16
4605 75 C 15.0401 21.4073 7.69674 -0.00504842 -0.00555968 0.00224753 16
4606 76 C 15.0907 20.3059 6.58306 0.000364312 -0.00320325 0.000104183 16
4607 77 C 15.4642 20.7336 5.16403 0.000536423 0.000966787 0.000293621 16
4608 78 C 14.629 21.892 4.57095 0.00493538 -0.000371384 0.00272311 16
4609 79 C 14.2391 21.5686 3.11347 0.00184651 -0.00078421 0.000477639 16
4610 80 C 15.3634 21.5797 2.08559 -0.000888776 0.00287327 0.000956075 16
4611 81 C 14.785 21.3165 0.680104 0.00017848 0.00141117 0.00303098 16
4612 82 C 17.757 26.3201 15.0878 0.00125936 0.00152522 0.00014426 16
4613 83 C 18.0349 26.3257 13.598 0.000936353 -0.00247608 -0.00172185 16
4614 84 C 18.0349 27.7489 13.0683 0.000369008 0.000216367 -0.00328296 16
4615 85 C 18.7582 28.0829 11.7458 0.00145491 0.00163639 -0.00154785 16
4616 86 C 18.2258 27.3314 10.5095 -0.000466372 0.00125622 0.00212278 16
4617 87 C 18.7661 27.9803 9.20929 -0.00215134 0.000546272 0.00142469 16
4618 88 C 18.0646 27.3587 8.01837 -0.00115767 -0.00187982 -0.00308514 16
4619 89 C 18.5613 27.9549 6.69954 -0.000169107 0.00285152 -0.000310904 16
4620 90 C 17.7299 27.3418 5.53147 0.00372157 0.00228198 0.00726999 16
4621 91 C 18.2173 27.8333 4.13028 0.0031954 0.00100562 -0.00121447 16
4622 92 C 17.0976 27.4919 3.08843 0.00259355 0.00071023 -0.00440012 16
4623 93 C 17.5575 27.7858 1.64949 0.000619845 0.000747934 0.000458298 16
4624 94 C 7.38054 23.8814 33.545 -0.0022387 -0.00378883 -0.000824596 16
4625 95 C 7.20288 23.9734 35.0914 -0.00276406 0.00244081 0.000916092 16
4626 96 C 5.7149 23.7337 35.4771 0.00254324 0.000183253 -0.00165027 16
4627 97 C 5.25558 24.2624 36.8173 0.000695113 0.00140211 -0.00456606 16
4628 98 C 5.99086 23.8161 38.0728 -0.000598382 0.00100322 -0.000718578 16
4629 99 C 5.38118 24.5798 39.2404 0.00280659 0.00269438 0.00155525 16
4630 100 C 6.26163 24.6169 40.4997 0.00528716 0.000283641 -0.00214448 16
4631 101 C 5.74758 23.7239 41.6419 0.000114864 0.00157387 0.0034384 16
4632 102 C 6.47569 24.1001 42.9753 0.00497995 0.00216899 -8.83802e-05 16
4633 103 C 6.03937 23.2213 44.1832 -0.00034799 0.0017934 0.00441853 16
4634 104 C 6.63515 23.7905 45.46 -0.00188885 0.00140873 -0.00121559 16
4635 105 C 6.14825 22.9802 46.6786 -0.00207306 0.00146516 0.00203632 16
4636 106 C 13.3246 27.4523 34.3544 -0.00372752 0.00187028 -0.00220849 16
4637 107 C 13.3345 27.3818 35.8555 -0.0020718 -0.000561998 -0.000195298 16
4638 108 C 14.0109 28.5881 36.5249 -0.00385994 0.000319797 0.00121774 16
4639 109 C 14.3609 28.3178 38.0182 -0.000843017 -0.00254676 -0.000643705 16
4640 110 C 13.1626 28.2935 38.939 -0.00136828 0.00394392 -0.00244763 16
4641 111 C 13.5534 27.9223 40.4487 -0.00481361 0.000532381 -0.00431001 16
4642 112 C 14.1969 29.0802 41.2432 0.00170581 0.00273999 -0.000449379 16
4643 113 C 14.3568 28.644 42.72 0.00253155 0.000511622 -0.000728927 16
4644 114 C 14.3527 29.8256 43.7191 -0.00295585 0.00111405 -0.00419108 16
4645 115 C 14.2238 29.4425 45.1974 -0.00273072 -0.00514801 0.000224683 16
4646 116 C 13.2778 28.3127 45.4316 -0.00287739 0.00258794 0.000466146 16
4647 117 C 13.0103 28.096 46.9285 0.00155626 -0.00132767 0.00389879 16
4648 118 C 13.4807 20.1167 34.283 0.00299047 0.00462081 0.000788208 16
4649 119 C 13.4855 20.3274 35.7909 0.00262373 0.00292406 -0.00621443 16
4650 120 C 14.1048 19.1801 36.6415 -0.000184013 -0.000525773 -0.00394735 16
4651 121 C 14.0373 19.6253 38.1201 0.00139193 0.000270354 0.00325511 16
4652 122 C 14.2766 18.4772 39.1133 -0.00109924 -0.00170881 -0.00321402 16
4653 123 C 14.5668 18.9592 40.5335 0.00243527 0.00112762 0.00196628 16
4654 124 C 13.4108 19.7755 41.1479 0.000451068 -0.00107234 -0.00162409 16
4655 125 C 13.7522 20.1701 42.6308 0.00115628 -9.72667e-05 -0.00132874 16
4656 126 C 13.7838 19.0655 43.6868 0.00354345 -0.00213535 -0.00398557 16
4657 127 C 14.434 19.6272 44.9647 -0.00220933 0.00238051 0.00036848 16
4658 128 C 13.9937 18.973 46.2863 0.000207159 -0.000831759 -0.00194139 16
4659 129 C 12.5423 19.3482 46.6179 0.00261462 0.00304809 -0.00103722 16
4660 130 F 14.9092 21.7873 26.4636 -0.0017358 0.000584011 -0.00589191 16
4661 131 H 13.7633 28.1302 32.0495 -0.00521275 -0.000297125 0.0042765 16
4662 132 H 14.1664 27.9296 29.6826 -0.0119382 0.00501624 -0.0029769 16
4663 133 H 13.4483 26.0834 28.4096 -0.00449927 0.00349382 -0.00148207 16
4664 134 H 6.92207 23.8626 31.1196 -0.000362352 0.0216387 -0.0029349 16
4665 135 H 7.26717 23.7496 28.7871 -0.00287663 -0.00106851 0.00822542 16
4666 136 H 9.65138 23.711 27.8211 -0.00675224 0.00488722 0.00158177 16
4667 137 H 13.8891 19.4246 32.045 -0.00374024 -8.53074e-05 0.00897192 16
4668 138 H 14.0563 19.5192 29.618 -0.00609899 -0.00609093 -0.00277297 16
4669 139 H 13.2684 21.3964 28.3787 0.00610062 -0.00235433 -0.00081764 16
4670 140 H 13.959 25.3821 22.7883 -0.00131259 -0.00189558 0.000532254 16
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4672 142 H 14.4116 19.6625 19.0398 0.00769943 -0.00395105 0.00941755 16
4673 143 H 14.6128 19.7345 16.5837 0.000213246 -0.00232236 0.00888197 16
4674 144 H 15.3797 21.4628 20.4757 0.00386901 0.0122338 0.0036121 16
4675 145 H 21.5343 24.244 19.8781 0.00211734 -0.00183813 -0.00389836 16
4676 146 H 21.7655 24.1807 17.4019 -0.00473128 0.00999667 -0.00617557 16
4677 147 H 19.3451 23.9419 20.9805 0.00246911 0.00965138 0.00264557 16
4678 148 H 14.9973 28.2076 19.3374 0.00648917 -0.00260704 0.0086142 16
4679 149 H 15.2047 28.2319 16.928 0.0154824 0.00231634 0.000322968 16
4680 150 H 17.185 23.8024 15.8346 -0.00889805 -0.00636303 0.00138738 16
4681 151 H 15.6588 26.1988 20.6154 0.00409871 0.000914156 0.00254554 16
4682 152 H 11.4736 23.7367 33.1469 -0.00323008 -0.00901926 -0.00449124 16
4683 153 H 20.4691 22.0502 14.5436 -0.00787025 -0.0120707 -0.00131251 16
4684 154 H 18.9957 21.828 15.4999 0.00758735 -0.0105003 -0.00856492 16
4685 155 H 17.9971 23.7126 13.8418 -0.000541742 -0.00465838 -0.00124974 16
4686 156 H 17.9402 22.0311 13.4499 -0.00763411 0.00283236 0.0205926 16
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4688 158 H 19.8672 24.1228 12.3457 0.004609 -0.00442224 -0.00396559 16
4689 159 H 17.6827 23.7941 11.181 0.00984042 0.00566082 0.00104531 16
4690 160 H 17.9942 22.0941 11.0808 0.00331498 -0.00218493 0.0114165 16
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4692 162 H 19.732 24.3058 9.74952 -0.00527273 -0.000224755 0.0061161 16
4693 163 H 17.4844 23.7641 8.5976 0.00353675 0.0091291 -0.000174622 16
4694 164 H 17.9882 22.0839 8.49745 -0.00181513 -0.000710356 -0.00355508 16
4695 165 H 20.002 22.8693 7.08384 -0.00496886 -0.00200818 0.00948618 16
4696 166 H 19.4918 24.5666 7.38544 -0.00623681 0.00329156 0.00751503 16
4697 167 H 17.3104 23.9729 6.11522 -0.00350339 -0.00288009 0.0152913 16
4698 168 H 17.9926 22.3358 5.91515 0.00124821 -0.000689478 0.00237857 16
4699 169 H 19.8717 23.168 4.56504 0.00428435 0.00215438 0.0082499 16
4700 170 H 19.3107 24.817 4.85411 0.00884411 -0.00240272 0.00102495 16
4701 171 H 17.1489 24.3121 3.6777 0.00195444 0.00275149 0.00253095 16
4702 172 H 17.7402 22.6938 3.30096 0.00791457 0.00274971 -0.0123303 16
4703 173 H 19.1332 25.3128 2.36885 -0.00550302 -0.000956084 -0.00277331 16
4704 174 H 17.821 24.4817 1.50433 0.0118944 0.00729946 -0.0125105 16
4705 175 H 20.5238 23.1836 2.15463 0.00488217 0.00498907 0.00296219 16
4706 176 H 19.9639 23.8402 0.60622 0.00716101 0.0105404 0.0068657 16
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4709 179 H 14.2511 20.5487 14.4269 0.00142293 0.00902212 0.00727738 16
4710 180 H 14.1541 22.3201 12.8497 6.10116e-05 0.00154956 -0.0170831 16
4711 181 H 15.9242 22.6216 12.8056 -0.00652255 0.00270322 0.00832238 16
4712 182 H 16.3039 20.4446 11.6332 0.00472046 0.00646335 -0.00864948 16
4713 183 H 14.5831 20.142 11.6823 -0.00573756 0.000942155 -0.0029912 16
4714 184 H 14.1624 22.2477 10.3489 -0.000995868 -0.00100287 -0.00847483 16
4715 185 H 15.9252 22.3945 10.1106 0.0060563 -0.00796611 -0.00176263 16
4716 186 H 15.9181 20.0322 9.13042 0.0015243 0.00262908 -0.00760593 16
4717 187 H 14.2113 20.039 9.14859 0.00254102 -0.00158334 0.00566252 16
4718 188 H 14.1073 21.9793 7.61814 0.00684187 0.0126446 -0.00671526 16
4719 189 H 15.8091 22.177 7.55644 -0.00769041 -0.00408067 -0.00422529 16
4720 190 H 15.8786 19.6052 6.88579 -0.00198952 -0.0105174 -0.0107241 16
4721 191 H 14.1396 19.7594 6.56568 0.00686228 -0.0145939 0.00254012 16
4722 192 H 16.5104 21.0617 5.13021 -0.00173717 0.00804422 -0.0016076 16
4723 193 H 15.4121 19.8574 4.50601 0.00466476 0.00773732 -0.00906496 16
4724 194 H 13.7211 22.0496 5.1662 -0.00524038 -0.000833712 -0.0126813 16
4725 195 H 15.2257 22.8119 4.60317 -0.0189986 0.0150602 0.00475224 16
4726 196 H 13.6922 20.6187 3.07128 0.000494024 -0.00055803 0.0128925 16
4727 197 H 13.5327 22.3576 2.82734 -0.00713681 -0.00945896 -0.00123102 16
4728 198 H 15.8307 22.5708 2.03252 0.00530266 -0.000144075 -0.000850298 16
4729 199 H 16.1027 20.8072 2.3306 0.0102953 0.0140248 0.00228561 16
4730 200 H 15.4475 21.6303 -0.136006 -0.0206422 -0.00326039 -0.0157106 16
4731 201 H 14.5177 20.2693 0.492357 -0.0123721 0.00318784 0.0110825 16
4732 202 H 13.8882 21.9456 0.621721 0.00427684 0.00653378 -0.00463052 16
4733 203 H 18.073 27.2812 15.5117 -0.0166405 0.0115996 -0.00921672 16
4734 204 H 18.3231 25.4994 15.5454 -0.00919051 -0.00624009 -0.000850467 16
4735 205 H 18.9968 25.84 13.3922 -0.00473793 -0.0116436 -0.00668435 16
4736 206 H 17.2678 25.7375 13.0794 -0.00557604 -0.00703572 0.0130771 16
4737 207 H 16.9826 28.0564 13.03 0.00114332 0.00340199 0.00106075 16
4738 208 H 18.5578 28.3603 13.8141 0.00614011 0.00884984 -0.0144117 16
4739 209 H 18.5883 29.1558 11.5925 -0.00474774 0.000480406 -0.00280764 16
4740 210 H 19.84 27.9052 11.784 0.00278968 0.0119647 0.00805782 16
4741 211 H 18.4785 26.2646 10.5485 -0.00813778 -0.000565591 0.00216958 16
4742 212 H 17.1318 27.3628 10.5852 -0.000470844 0.00492365 0.000460414 16
4743 213 H 18.543 29.0541 9.18465 -0.0225071 -0.00380813 -0.00602233 16
4744 214 H 19.8489 27.8286 9.12057 -0.000531757 0.00933618 0.0062709 16
4745 215 H 18.2685 26.2811 8.04535 0.00666015 -0.0004053 -0.00294796 16
4746 216 H 16.99 27.5213 8.16739 0.00104257 0.0124288 -0.00277739 16
4747 217 H 18.4117 29.041 6.73694 0.0109022 0.00395529 0.0119424 16
4748 218 H 19.6302 27.7701 6.53597 -0.000255384 -0.00289509 0.005655 16
4749 219 H 17.724 26.2449 5.5466 0.00882154 0.00243289 0.0194243 16
4750 220 H 16.6948 27.6498 5.72418 0.00405289 0.00585712 0.00330784 16
4751 221 H 18.4761 28.8973 4.19653 -0.00703224 0.00321202 0.0030831 16
4752 222 H 19.1744 27.3418 3.91636 0.00293699 -0.00285357 0.00645203 16
4753 223 H 16.8294 26.4289 3.05115 -0.0137565 0.00498716 -0.00941501 16
4754 224 H 16.1858 28.0799 3.25063 0.00848447 0.00903572 -0.00145659 16
4755 225 H 16.7763 27.4701 0.94694 0.00614479 -0.0140563 0.000968159 16
4756 226 H 17.7768 28.8464 1.47518 -0.0134336 0.00231149 -0.00764703 16
4757 227 H 18.4916 27.2464 1.44977 -0.00179567 -0.00187217 -0.00372799 16
4758 228 H 6.72504 24.621 33.0688 0.0101081 0.00431879 -0.00522514 16
4759 229 H 7.07328 22.8646 33.2708 -0.00940215 -0.00129392 -0.00200348 16
4760 230 H 7.82467 23.288 35.6804 0.00224904 0.00876835 0.00300517 16
4761 231 H 7.51463 24.9851 35.379 -0.0125909 0.0050403 0.00239227 16
4762 232 H 5.05963 24.2372 34.7556 0.00622266 0.00878299 0.000994939 16
4763 233 H 5.42092 22.6769 35.4876 -0.0169433 0.00551636 -0.0070098 16
4764 234 H 5.28944 25.3578 36.77 -0.0111992 0.00186841 -0.00231139 16
4765 235 H 4.19375 24.0036 36.9118 0.00318378 -0.00835254 -0.00338329 16
4766 236 H 5.86825 22.7381 38.2347 0.00613484 0.000892891 0.00371444 16
4767 237 H 7.08016 23.8959 37.9704 -0.00228268 0.00795967 -0.0130553 16
4768 238 H 5.19327 25.6198 38.9463 0.00689897 0.00215175 -0.0029665 16
4769 239 H 4.39991 24.17 39.5098 -0.00512904 0.00772937 -0.0198184 16
4770 240 H 7.31665 24.412 40.2797 0.00444965 -0.00945062 0.00292762 16
4771 241 H 6.28066 25.6702 40.8057 -0.00907574 -0.00171593 0.00554737 16
4772 242 H 4.65426 23.8115 41.6613 -0.000360108 -0.00189135 -0.00585332 16
4773 243 H 5.91567 22.6687 41.3933 -0.00476667 0.00225666 -0.0027818 16
4774 244 H 7.56472 24.0869 42.8439 0.00564456 -0.0270042 0.00845565 16
4775 245 H 6.16487 25.1416 43.1238 -0.00597149 -0.00415908 0.0211544 16
4776 246 H 4.95169 23.1971 44.3238 -0.00156593 -0.00432658 -0.00619109 16
4777 247 H 6.42471 22.2006 44.0691 -0.00388754 0.000203592 0.00670048 16
4778 248 H 7.72777 23.7628 45.3661 -0.00104191 -0.00300057 0.0100454 16
4779 249 H 6.33675 24.8359 45.6067 0.0022099 0.00456135 -0.015413 16
4780 250 H 6.34241 21.9137 46.5099 0.000330701 0.00407349 -0.0117178 16
4781 251 H 6.63188 23.3049 47.6081 -0.0167608 -0.000956766 0.0105499 16
4782 252 H 5.07265 23.0752 46.8722 0.00109167 0.0111149 0.0149635 16
4783 253 H 14.3509 27.4896 33.9689 -0.000203725 -0.00595652 0.00649895 16
4784 254 H 12.8994 28.4122 34.0363 0.00847913 0.00912124 0.00331566 16
4785 255 H 12.2947 27.3731 36.205 -0.000477632 -0.0090995 0.00432389 16
4786 256 H 13.8072 26.458 36.2115 0.000612214 0.00180091 0.00237199 16
4787 257 H 14.962 28.8767 36.0607 -0.00825567 -0.00167846 -0.0089578 16
4788 258 H 13.3513 29.4635 36.4784 0.00168794 0.00469221 0.00477345 16
4789 259 H 14.8233 27.3232 38.0368 0.00690844 0.00106835 -0.000884066 16
4790 260 H 15.0863 29.0664 38.3599 -0.00367134 -0.000994599 0.00194902 16
4791 261 H 12.674 29.2714 38.8469 0.0105722 0.0108575 0.00794752 16
4792 262 H 12.412 27.6014 38.5377 0.00282943 0.00149343 -0.00606315 16
4793 263 H 12.6244 27.7101 40.9922 0.00368614 -0.0087632 0.00656227 16
4794 264 H 14.1486 27.0043 40.5299 -0.00899092 -0.00246415 -0.00755709 16
4795 265 H 15.1742 29.2827 40.7881 0.000988279 0.00858965 0.000633345 16
4796 266 H 13.5651 29.9727 41.1557 -0.010787 -0.00702852 -0.00991489 16
4797 267 H 13.5152 27.9731 42.9321 0.00283646 0.000873697 0.00161793 16
4798 268 H 15.2785 28.0597 42.8325 -0.00750037 -0.0143273 0.00435372 16
4799 269 H 15.2967 30.3716 43.6003 -0.00193338 -0.00200542 -0.0104236 16
4800 270 H 13.5502 30.5264 43.4577 0.00758871 0.0106205 -0.0110805 16
4801 271 H 15.2115 29.0957 45.5254 -0.00266699 0.00734048 0.0131388 16
4802 272 H 13.8769 30.2863 45.8066 0.00502523 0.00781351 -0.0133508 16
4803 273 H 12.3393 28.4924 44.8928 -0.00825189 0.0080809 0.0116826 16
4804 274 H 13.6849 27.3841 45.0127 -0.0117788 -0.00384918 0.00607702 16
4805 275 H 12.8239 27.0428 47.1727 -0.00413918 -0.000712177 0.00222333 16
4806 276 H 13.8526 28.5005 47.5034 -0.0070952 0.00831597 0.0098261 16
4807 277 H 12.1419 28.6843 47.2497 -0.00232213 -0.0102707 0.00977505 16
4808 278 H 12.8525 19.2412 34.0774 0.0212998 -0.0103135 0.00844629 16
4809 279 H 14.5007 19.8969 33.9443 0.0008995 -0.0223489 0.0118631 16
4810 280 H 12.4759 20.4131 36.2115 0.0103214 -0.00487172 0.0140492 16
4811 281 H 14.0242 21.2406 36.0724 -0.00309 0.00377643 0.00200549 16
4812 282 H 15.1175 18.9585 36.2825 0.000422922 -0.00860504 0.00278734 16
4813 283 H 13.5588 18.2305 36.5816 -0.00131788 -0.000106284 -0.000337835 16
4814 284 H 13.065 20.0878 38.3302 0.00873152 0.00839156 0.0193458 16
4815 285 H 14.7738 20.4259 38.2618 0.0132041 -0.0109584 0.00524739 16
4816 286 H 15.142 17.8616 38.8384 0.00586776 0.00571581 0.00205322 16
4817 287 H 13.4103 17.8051 39.1486 -0.00182458 -0.00165684 -0.020303 16
4818 288 H 15.4087 19.6525 40.4154 0.00131295 0.00270524 0.00321197 16
4819 289 H 14.8362 18.1557 41.2301 0.0107513 0.00138596 -0.000968679 16
4820 290 H 12.4935 19.1767 41.0895 -0.00731383 0.00824673 0.0247958 16
4821 291 H 13.248 20.6891 40.5629 0.0163813 -0.000640613 -0.00538201 16
4822 292 H 13.1019 20.9751 42.9947 0.0044888 -0.00353175 0.0122571 16
4823 293 H 14.7517 20.6201 42.5867 0.00731328 -0.0140886 -0.00463849 16
4824 294 H 14.3346 18.1698 43.3744 0.00112429 -0.00230731 -0.00775289 16
4825 295 H 12.738 18.7661 43.8292 0.00772776 -0.00592279 0.0185629 16
4826 296 H 14.3368 20.7188 45.0148 -0.00447091 0.00195253 0.00524672 16
4827 297 H 15.503 19.3888 44.9023 -0.00139979 0.00543005 0.00262589 16
4828 298 H 14.68 19.2624 47.0917 -0.00325597 -0.00105326 0.00108661 16
4829 299 H 14.0928 17.8918 46.1292 -0.0150693 -4.79853e-05 -0.0171578 16
4830 300 H 12.2556 18.8424 47.5482 0.00279493 -0.00309012 -0.00430743 16
4831 301 H 11.8469 18.9227 45.8839 -0.00467564 0.00996998 0.00186488 16
4832 302 H 12.3895 20.4272 46.7437 -0.00190382 0.00148666 0.00692726 16
4833 1 C 17.4978 20.2667 31.0771 0.00169745 -0.000576664 -0.00373654 17
4834 2 C 17.6649 20.1917 29.6949 -0.00125116 -0.000462491 -0.00198779 17
4835 3 C 17.1572 19.0829 29.0266 0.00262248 0.000696025 0.000759254 17
4836 4 C 16.4224 18.1082 29.7488 0.000555098 0.00348673 -0.00161666 17
4837 5 C 16.2669 18.1729 31.1489 -0.000321725 0.00095597 -0.00029086 17
4838 6 C 16.8425 19.25 31.8257 -0.00079817 -0.00132308 0.00131483 17
4839 7 C 11.7378 16.9844 30.4236 6.50644e-05 0.000346601 -0.00147599 17
4840 8 C 11.9481 16.9248 29.0626 1.79813e-05 -0.00352059 -0.00187921 17
4841 9 C 13.2504 16.9215 28.5837 -0.00242934 -0.00340902 -0.000742171 17
4842 10 C 14.3135 16.9306 29.5298 -0.00154867 -0.00607633 -0.0027528 17
4843 11 C 14.1239 16.9835 30.9095 -0.00173124 0.0070626 0.00170903 17
4844 12 C 12.8148 17.0436 31.3781 -0.00111426 -0.00218539 0.00320613 17
4845 13 C 17.5611 13.6754 31.4173 0.00032758 -0.00164165 0.00197488 17
4846 14 C 17.6833 13.6356 30.0577 0.00453771 0.00273456 -0.00150202 17
4847 15 C 17.1329 14.6129 29.294 -0.00137689 -0.00197616 0.0022883 17
4848 16 C 16.4148 15.6693 29.8762 -0.0064605 -0.00733484 -0.000257766 17
4849 17 C 15.8156 16.856 29.1127 0.00034087 -0.0032666 -0.000141465 17
4850 18 O 16.5823 14.5464 33.4276 -0.000382346 0.000831079 -0.00181641 17
4851 19 O 12.5898 17.0551 32.7394 -0.000309471 -0.000617456 -0.000323808 17
4852 20 O 16.6831 19.3895 33.1964 0.000576855 0.000783524 -0.000552121 17
4853 21 C 16.7823 14.6724 32.0765 -0.000319833 0.000723129 -0.000470693 17
4854 22 C 16.1414 16.7717 27.6758 0.000412982 -0.0037278 -0.00188353 17
4855 23 C 16.6663 16.6798 26.5674 -0.000233107 0.00402654 -0.00104326 17
4856 24 C 17.4717 16.661 25.3929 0.00278417 0.000597051 0.00300017 17
4857 25 C 17.9898 15.4276 24.9211 -0.00238473 -0.00267687 0.00263358 17
4858 26 C 18.9372 15.4366 23.8885 -0.000220174 -0.0030249 -0.000142951 17
4859 27 C 19.4242 16.6544 23.4472 0.000708177 -0.00341207 0.00399817 17
4860 28 C 18.9303 17.8869 23.9118 0.000110164 0.00373602 0.00116057 17
4861 29 C 17.9329 17.8861 24.8933 -0.000420614 0.0017145 0.00211227 17
4862 30 C 20.2693 16.7232 22.295 -0.00240341 -0.00424871 0.00204898 17
4863 31 C 20.6723 16.8309 21.1544 4.01153e-05 -0.00132182 -0.00424751 17
4864 32 C 19.2766 13.6444 18.6781 -0.000202824 0.00285855 0.00164858 17
4865 33 C 19.4392 13.7765 17.297 -0.00159655 0.00134314 -0.00441216 17
4866 34 C 19.9906 14.9076 16.6994 4.13244e-05 0.000254322 -0.000915669 17
4867 35 C 20.3974 15.944 17.538 -0.00297205 0.00209391 0.00682581 17
4868 36 C 20.3032 15.8273 18.9463 0.00558313 0.00310643 -0.00341038 17
4869 37 C 19.7169 14.6868 19.5173 -0.000980835 0.00179296 -0.00131716 17
4870 38 C 20.9209 16.9771 19.707 -0.00289653 -0.00527891 -0.000678511 17
4871 39 C 24.7109 16.8205 19.1753 -0.00217118 0.00276344 -6.31403e-05 17
4872 40 C 24.7594 16.8622 17.7555 -0.00113478 -0.00267739 -0.000997424 17
4873 41 C 23.5704 17.1098 17.0375 -0.00316429 -0.00152166 0.000375813 17
4874 42 C 22.3828 17.2169 17.7657 -0.000738197 8.01432e-05 0.00240694 17
4875 43 C 22.3262 17.0459 19.1569 -0.00340736 0.0010354 -0.000509995 17
4876 44 C 23.5234 16.8818 19.9081 0.000997486 0.000769914 -4.89605e-05 17
4877 45 C 18.8285 20.2334 19.2989 -0.00194691 -0.00142517 -0.00125493 17
4878 46 C 18.9309 20.3603 17.9021 0.00178005 -0.00348804 -0.002437 17
4879 47 C 19.6432 19.3943 17.1489 -0.00212448 0.00469382 0.0024196 17
4880 48 C 20.3035 18.3692 17.8114 -0.00134691 -0.00158747 0.00138022 17
4881 49 C 21.042 17.2663 17.0862 -0.00687846 -0.00415375 -0.000176828 17
4882 50 C 20.2341 18.229 19.2092 -0.00257276 0.00168214 0.00168072 17
4883 51 C 19.488 19.1671 19.9391 -0.00268687 -0.00546926 0.0013765 17
4884 52 O 23.5569 17.0311 15.664 0.00218545 0.000539327 0.003704 17
4885 53 O 20.0316 14.9493 15.2883 0.00229165 0.00213554 0.00234875 17
4886 54 O 19.7105 19.5027 15.7861 0.00259069 0.00131342 0.00348061 17
4887 55 C 15.4138 16.9812 31.74 0.00203693 0.00378651 0.000526454 17
4888 56 C 16.18 15.7065 31.2908 0.000620622 0.00280632 0.0041169 17
4889 57 C 24.5233 17.6931 14.8589 -0.00450009 -0.000687554 0.001345 17
4890 58 C 24.045 17.7961 13.3848 -0.00390833 -0.000579364 0.000365658 17
4891 59 C 22.9513 16.8339 12.9549 0.0061233 -0.000180458 0.00281847 17
4892 60 C 22.411 17.2228 11.5474 0.00181623 -0.00290132 -0.00240929 17
4893 61 C 23.2105 16.6909 10.3558 0.00282625 0.000937071 -0.000561178 17
4894 62 C 22.7723 17.4057 9.03642 0.00168072 0.0020428 0.00155735 17
4895 63 C 23.3799 16.7476 7.8194 -0.0034381 -0.00354207 -0.000112472 17
4896 64 C 22.9228 17.4696 6.50586 -0.000672042 -0.00121785 0.0023852 17
4897 65 C 23.0877 16.6525 5.22239 0.00124226 0.00599618 0.00122953 17
4898 66 C 23.293 17.5291 3.96265 -0.00154125 -0.00188321 -0.000491751 17
4899 67 C 23.5813 16.7377 2.69643 0.00368118 0.00159978 0.00249779 17
4900 68 C 22.286 16.3949 1.92201 -0.00147646 0.00227042 3.60699e-05 17
4901 69 F 19.4367 14.2744 23.3985 -0.00185737 0.000416911 0.00174433 17
4902 70 C 21.1741 14.4887 14.5796 -0.00158097 -0.000582947 -0.00279292 17
4903 71 C 21.2529 12.9498 14.6195 -0.00275683 -0.00148497 0.000460519 17
4904 72 C 22.282 12.3708 13.6465 0.000673843 -0.00320944 0.00312265 17
4905 73 C 22.0309 12.6257 12.1232 0.00115683 0.00306386 -0.00192389 17
4906 74 C 23.0576 11.8308 11.2749 0.00255043 -0.000723423 0.00127206 17
4907 75 C 22.6583 11.5078 9.8594 -0.00394542 0.00174271 0.000430665 17
4908 76 C 22.9794 12.5741 8.77973 0.000759168 -0.000234321 0.000587002 17
4909 77 C 22.6526 12.016 7.38093 0.000822386 0.0024784 -0.00175159 17
4910 78 C 22.8704 12.9855 6.22302 -0.00135518 0.00140764 -0.00107021 17
4911 79 C 22.4612 12.3689 4.83378 -0.00145654 0.00197451 0.00511142 17
4912 80 C 22.6527 13.2969 3.65995 -0.00232688 -8.84366e-05 -0.000359412 17
4913 81 C 22.4241 12.6332 2.26282 -0.00320056 0.000375616 -0.00160923 17
4914 82 C 18.5464 19.1367 15.029 0.0021232 -0.00310136 -0.00145326 17
4915 83 C 18.746 19.4328 13.5206 -0.000920237 -0.00102924 0.00117113 17
4916 84 C 19.4074 18.3583 12.698 0.00130111 -0.00143573 -0.00132932 17
4917 85 C 18.863 18.254 11.2519 -0.00310656 0.00192597 0.00354248 17
4918 86 C 19.4891 19.236 10.2584 -0.000931497 0.00146755 0.00182991 17
4919 87 C 18.9654 18.9624 8.83151 0.000986041 -0.00506865 -0.00288885 17
4920 88 C 19.7348 19.6788 7.68707 0.00141465 -0.00246909 0.00352276 17
4921 89 C 19.0905 19.4205 6.29998 -0.000873252 0.000737985 -0.0022065 17
4922 90 C 19.9153 20.1013 5.18929 -2.07354e-05 -0.00786332 0.00245346 17
4923 91 C 19.2472 20.1795 3.82394 0.00156542 0.000137653 0.00396453 17
4924 92 C 19.3774 18.9004 2.93647 0.000628472 0.000463004 -0.000518752 17
4925 93 C 19.1253 19.2581 1.43194 0.00288427 0.000300123 -0.0034889 17
4926 94 C 11.2334 17.2317 33.1996 0.000289538 -0.000221603 0.00243093 17
4927 95 C 11.1642 17.0302 34.7397 -0.00323968 0.00555993 0.000306697 17
4928 96 C 9.76294 17.151 35.3484 0.00515287 0.00315614 0.000613639 17
4929 97 C 9.70485 16.979 36.8765 -0.000158126 0.00104709 -0.000272745 17
4930 98 C 10.5214 17.952 37.718 0.00109952 0.00240216 -0.00227962 17
4931 99 C 10.0996 18.0104 39.1863 0.00393468 -0.00233839 -0.00371443 17
4932 100 C 9.82983 16.6253 39.8468 0.00134264 0.0018152 0.00203485 17
4933 101 C 9.74128 16.687 41.4101 0.00392442 -0.00418627 -0.00234785 17
4934 102 C 11.007 17.059 42.1884 0.000302332 -0.00118562 -0.0014976 17
4935 103 C 10.9965 16.5335 43.665 -0.000920666 0.00222483 0.000154171 17
4936 104 C 9.93504 17.2431 44.4834 -0.00121072 0.00259545 0.000979619 17
4937 105 C 9.88482 16.7773 45.9202 0.000588369 0.000955648 0.00255221 17
4938 106 C 17.4067 20.4827 33.871 0.00328379 -0.00189492 0.00183562 17
4939 107 C 16.9736 20.7651 35.3084 -0.00433644 -0.000732739 -0.00245356 17
4940 108 C 17.7669 21.9685 35.9877 0.000869111 0.00191968 -0.0043218 17
4941 109 C 17.4327 22.1112 37.4894 0.00189926 0.00226358 0.00377849 17
4942 110 C 17.9086 20.9184 38.397 0.0010969 -0.00175141 0.00155356 17
4943 111 C 18.3906 21.3693 39.7963 -0.0020541 0.00253052 -0.00333051 17
4944 112 C 17.323 22.1036 40.6445 -0.000465191 0.00128105 0.00179849 17
4945 113 C 17.7242 22.3909 42.114 0.00227997 0.00479794 -0.00298629 17
4946 114 C 18.0726 21.1428 42.9284 -0.00255629 -0.00296393 0.00336002 17
4947 115 C 18.6299 21.3986 44.341 0.00299079 -0.00251379 -0.000386194 17
4948 116 C 17.6109 22.0407 45.3108 0.00406416 -0.00371801 -0.00234509 17
4949 117 C 18.1916 22.0943 46.735 0.00326336 -0.00265996 -2.9714e-05 17
4950 118 C 17.3586 13.6237 34.2305 -0.00153453 -0.00179074 0.00342125 17
4951 119 C 16.7821 13.4961 35.66 0.000648478 0.00218578 -0.00751987 17
4952 120 C 17.7066 12.7007 36.5931 0.00134807 0.00292035 -0.00252992 17
4953 121 C 17.0446 12.5275 37.9942 -0.00244661 -0.00310531 -0.00357961 17
4954 122 C 18.0549 12.4322 39.1771 -0.00175058 -0.00349918 -0.00126076 17
4955 123 C 17.3079 12.2123 40.4968 0.000507189 0.00196017 0.00722932 17
4956 124 C 18.1404 12.5854 41.7371 0.00362393 0.00235799 0.0023532 17
4957 125 C 17.4209 12.1263 43.05 0.00193649 0.00123273 0.00133232 17
4958 126 C 18.1187 12.6793 44.3024 0.00305385 0.00266226 -0.000827356 17
4959 127 C 17.3894 12.1106 45.531 -0.00448977 -0.00205009 -0.00430445 17
4960 128 C 17.9533 12.6855 46.8242 0.00438896 -0.00233801 -0.000379621 17
4961 129 C 17.37 11.9947 48.0419 0.000976083 -0.00184791 0.00145733 17
4962 130 F 17.5269 14.2644 25.4133 0.000482025 0.00109429 0.000826033 17
4963 131 H 17.9673 21.1153 31.5656 0.00596009 -0.00794179 0.00498167 17
4964 132 H 18.2558 20.9311 29.1625 0.00470102 -0.00086623 0.0040477 17
4965 133 H 17.368 19.0155 27.9634 -0.00563265 0.0121164 -0.00160038 17
4966 134 H 10.6928 16.9504 30.7171 -0.000464665 -0.00407374 -0.00385684 17
4967 135 H 11.109 16.847 28.3775 0.00478564 0.00804275 -0.00902701 17
4968 136 H 13.4384 16.841 27.5172 -0.00750018 -0.00182143 -0.00175392 17
4969 137 H 18.1338 12.9101 31.9329 -0.0211063 -0.00833255 0.0157113 17
4970 138 H 18.2603 12.8722 29.5443 -0.00102857 0.0101089 -0.0187663 17
4971 139 H 17.2563 14.5453 28.2172 0.00269259 -0.0044656 0.00291569 17
4972 140 H 19.3415 18.8284 23.5598 -0.0150709 0.00682652 -0.00827715 17
4973 141 H 17.6299 18.8209 25.3557 -0.00815552 0.00623844 -0.0121467 17
4974 142 H 18.7284 12.8086 19.1029 -0.00011941 0.00253569 0.0011204 17
4975 143 H 19.1308 12.9108 16.7184 0.00569771 0.0055293 -0.0145179 17
4976 144 H 19.5554 14.5243 20.5789 -0.00808367 0.00154908 -0.00242393 17
4977 145 H 25.6415 16.6562 19.7104 -0.00370041 -0.0157699 -0.00311492 17
4978 146 H 25.6787 16.6301 17.2261 0.000585033 0.00168629 8.53611e-05 17
4979 147 H 23.5337 16.6374 20.9662 -0.00459208 0.0200247 0.00441188 17
4980 148 H 18.2282 20.9162 19.893 -0.00432914 -0.0111543 0.00754175 17
4981 149 H 18.3805 21.1377 17.3804 -0.0030399 -0.00416018 0.00164793 17
4982 150 H 21.0846 17.3701 15.995 0.00619483 0.0183652 0.00249325 17
4983 151 H 19.4613 19.0928 21.0222 -0.00440408 -0.0138044 0.000763532 17
4984 152 H 15.2613 17.0938 32.8205 0.00351576 0.00562181 0.000547171 17
4985 153 H 24.67 18.7142 15.2321 -0.0102727 0.00178979 -0.00317095 17
4986 154 H 25.4762 17.1849 15.0514 -0.0126107 -0.00994586 0.0173389 17
4987 155 H 24.935 17.6752 12.755 -0.00640525 -0.00495252 -0.0023081 17
4988 156 H 23.7101 18.8261 13.2106 0.011695 0.00217962 -0.0134527 17
4989 157 H 22.1314 16.8693 13.6829 0.000816309 -0.00649885 -0.00285002 17
4990 158 H 23.2944 15.7924 12.9226 0.000664684 -0.00129599 -0.0200723 17
4991 159 H 22.2584 18.3084 11.5059 -0.0146406 -0.00564726 -0.0143931 17
4992 160 H 21.39 16.8483 11.4029 0.00598104 -0.00994027 -0.0136198 17
4993 161 H 23.0828 15.6017 10.3302 -0.00674098 0.00171037 0.0136297 17
4994 162 H 24.2769 16.8829 10.5268 -0.000628145 0.00377389 0.0177953 17
4995 163 H 23.156 18.43 9.11982 0.00484517 0.00160902 -0.00788407 17
4996 164 H 21.681 17.5123 9.00471 0.00250169 0.00806372 -0.00622219 17
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4998 166 H 24.4749 16.7221 7.88132 -0.00366878 0.0174533 0.0118238 17
4999 167 H 23.5222 18.385 6.42665 0.0101749 -0.00766645 0.00996939 17
5000 168 H 21.889 17.8262 6.59267 -0.00737154 -0.0219046 0.00721288 17
5001 169 H 22.2509 15.9471 5.14789 0.00907565 -0.00370953 0.00474977 17
5002 170 H 23.956 15.9847 5.28063 -0.00634796 -0.00392351 0.000950607 17
5003 171 H 24.1218 18.2252 4.1414 -0.00726499 0.00720469 -0.00934011 17
5004 172 H 22.3796 18.1117 3.78995 -0.00483907 -0.00835938 -0.00497256 17
5005 173 H 24.1594 15.8381 2.94128 0.00640959 0.00294076 0.000965388 17
5006 174 H 24.1403 17.4206 2.04488 0.00353547 0.00273707 0.00356015 17
5007 175 H 21.4886 15.9968 2.56156 -0.00712749 0.00816127 -0.0033333 17
5008 176 H 22.492 15.7375 1.06835 -0.00359201 0.0035702 -0.00147947 17
5009 177 H 21.9577 17.3328 1.4573 0.00555156 0.000380195 -0.00879234 17
5010 178 H 21.103 14.8005 13.5303 -0.00245535 -0.00100831 -0.00286059 17
5011 179 H 22.0842 14.8678 15.0607 0.00184413 -0.00655813 -0.00454927 17
5012 180 H 21.5602 12.6099 15.6162 -0.0180272 0.00835136 0.00849797 17
5013 181 H 20.239 12.57 14.4426 -0.00283571 -0.00431902 0.00703409 17
5014 182 H 23.2244 12.8876 13.8658 0.00269447 -0.00149184 -0.00952401 17
5015 183 H 22.4521 11.3017 13.8235 -0.000921244 -0.00406356 -0.000486618 17
5016 184 H 21.0327 12.2804 11.8269 0.0022584 -0.000604775 -0.00134932 17
5017 185 H 22.0813 13.69 11.8619 0.000748956 0.00350643 -0.000196173 17
5018 186 H 24.049 12.2998 11.2524 0.00450342 -0.0048484 0.00117677 17
5019 187 H 23.201 10.8617 11.7685 -0.00404494 -0.00736188 -0.00985235 17
5020 188 H 23.2468 10.6378 9.54261 -0.00304312 -0.000336956 0.00787168 17
5021 189 H 21.5849 11.2815 9.85344 -0.00386988 0.00148964 -0.00304449 17
5022 190 H 22.3455 13.4562 8.93286 0.00850284 0.00474658 0.00385592 17
5023 191 H 24.0367 12.8624 8.82919 0.00373358 -0.00957436 -0.00857628 17
5024 192 H 23.3637 11.1916 7.24664 0.00612448 0.00700289 -0.00157432 17
5025 193 H 21.6313 11.6155 7.37842 -0.00625336 0.0205602 -0.00451018 17
5026 194 H 22.2552 13.8771 6.39642 -0.00101129 0.00101247 0.00216875 17
5027 195 H 23.9037 13.3407 6.12544 0.00178174 -0.00244653 0.0186844 17
5028 196 H 23.0233 11.4525 4.61572 -0.0119904 -0.00268963 -0.00252388 17
5029 197 H 21.4162 12.0376 4.87559 0.000220264 -0.00182566 0.0171611 17
5030 198 H 22.0005 14.1736 3.75754 -0.00384875 -0.00089225 -0.00329772 17
5031 199 H 23.6872 13.6596 3.70081 -0.00365113 0.00155506 0.0186805 17
5032 200 H 22.592 13.3997 1.49617 0.00340596 0.0015759 0.00102719 17
5033 201 H 23.1476 11.8425 2.02871 0.00572245 0.00932949 -0.00432231 17
5034 202 H 21.411 12.2301 2.14245 -0.00425068 -0.000111452 0.00888687 17
5035 203 H 18.3458 18.0743 15.2145 0.00470093 -0.00123506 0.0121696 17
5036 204 H 17.7143 19.6967 15.4732 -0.00567651 0.0030225 -0.0239362 17
5037 205 H 17.7327 19.5992 13.1347 0.000256866 -0.0039525 -0.00316899 17
5038 206 H 19.3269 20.3603 13.4452 0.00504655 -0.00417817 0.00826014 17
5039 207 H 20.4588 18.6652 12.6351 0.00031002 0.0054111 0.0156936 17
5040 208 H 19.3408 17.3837 13.1972 -0.0145472 0.00513543 0.00937366 17
5041 209 H 19.1252 17.2453 10.9094 -0.0161904 0.00460497 -0.0142956 17
5042 210 H 17.7697 18.3425 11.2695 -0.00340652 -0.000850535 -0.00154258 17
5043 211 H 19.235 20.2657 10.5388 0.0109557 0.00574354 -0.00310565 17
5044 212 H 20.5827 19.1536 10.2842 0.000387237 0.0180259 -0.000947266 17
5045 213 H 18.9011 17.8886 8.61642 -0.00988279 -0.00790202 0.0144043 17
5046 214 H 17.9213 19.2982 8.80857 0.00397465 0.00361667 -0.0116708 17
5047 215 H 19.8905 20.7429 7.90345 0.0055757 -0.000639284 -0.00848263 17
5048 216 H 20.7209 19.1981 7.68433 -0.00229621 -0.0100557 -0.00649184 17
5049 217 H 18.9887 18.3399 6.14027 -0.00406609 -0.00165995 0.0159254 17
5050 218 H 18.0946 19.8802 6.31207 -0.0021946 -0.00226621 0.00295264 17
5051 219 H 20.1177 21.1399 5.47891 0.00805982 -0.0105587 0.00642252 17
5052 220 H 20.8579 19.5493 5.08894 0.00899201 0.00841773 -0.00223654 17
5053 221 H 18.1718 20.3862 3.88715 0.00162355 -0.00211221 0.0120978 17
5054 222 H 19.6682 21.023 3.26289 -0.00145801 -0.000413373 0.000854208 17
5055 223 H 20.4153 18.5679 3.06171 -0.00121492 -0.00883391 -0.0101694 17
5056 224 H 18.7267 18.0914 3.29084 0.00252719 -0.00154948 -0.00162391 17
5057 225 H 18.0834 19.567 1.28256 0.00369585 0.000623891 -0.0084869 17
5058 226 H 19.7583 20.09 1.09947 -0.00240316 0.00545566 -0.000668239 17
5059 227 H 19.2992 18.3939 0.778892 0.0184296 0.00689376 -0.00805457 17
5060 228 H 10.878 18.2429 32.9662 -0.00309235 -0.000110114 0.00800708 17
5061 229 H 10.5785 16.4958 32.7169 0.00414067 -0.00854793 0.00990073 17
5062 230 H 11.4531 15.993 34.9497 -0.0036934 0.0062074 0.00411368 17
5063 231 H 11.8627 17.7726 35.145 -0.000654167 0.00238622 0.0016462 17
5064 232 H 9.39536 18.1606 35.127 -0.00162934 0.00251674 0.00897818 17
5065 233 H 9.0336 16.4749 34.8852 0.000320931 0.0101009 -0.00192465 17
5066 234 H 8.63617 17.0712 37.1063 -0.000999753 0.00285868 -0.0048783 17
5067 235 H 9.99064 15.9591 37.1623 -0.0157936 -0.00461072 -0.00479759 17
5068 236 H 11.5856 17.7009 37.629 -0.0023439 -0.0111457 -0.00516183 17
5069 237 H 10.4716 18.9519 37.2695 0.00271046 0.00506492 0.00347653 17
5070 238 H 10.871 18.5821 39.717 -0.00398778 0.000661521 0.00457013 17
5071 239 H 9.18861 18.6116 39.2959 0.00353514 -0.00455937 0.00522663 17
5072 240 H 8.88911 16.2382 39.4361 -0.00261754 0.0181658 -0.00436712 17
5073 241 H 10.6519 15.9465 39.5881 -0.00670797 -0.00546849 -0.00437082 17
5074 242 H 8.90107 17.3183 41.7246 0.0085871 -0.00184777 0.00540217 17
5075 243 H 9.38669 15.694 41.7128 -0.00657874 0.00455457 0.0140568 17
5076 244 H 11.8614 16.6111 41.6661 -0.00767252 -0.011508 -0.00570824 17
5077 245 H 11.1248 18.1485 42.1376 -0.00225579 -0.000282852 0.0124285 17
5078 246 H 10.8007 15.4549 43.7066 -0.00986001 0.00293555 -0.0235996 17
5079 247 H 11.9736 16.7184 44.1282 0.00242966 0.000891014 -0.0063817 17
5080 248 H 10.1733 18.308 44.3702 -0.0137843 0.00721203 0.0185519 17
5081 249 H 8.97153 17.1104 43.976 0.00345351 -0.0107691 -0.0043908 17
5082 250 H 9.06028 17.3015 46.4189 -0.000681706 -0.00188749 0.00344009 17
5083 251 H 9.70102 15.696 45.9388 0.00321474 0.000386419 -0.00445067 17
5084 252 H 10.8501 16.9283 46.419 -0.00125778 -0.00418233 0.00768071 17
5085 253 H 18.4894 20.3101 33.8341 0.00389017 0.000600551 0.00787929 17
5086 254 H 17.1344 21.4054 33.3438 -0.00168555 -0.00628339 -0.00330387 17
5087 255 H 15.9347 21.1079 35.2276 -0.00477904 -0.00267595 -0.00498948 17
5088 256 H 16.982 19.8867 35.9654 0.0206435 0.00321541 0.00248255 17
5089 257 H 18.8515 21.848 35.876 -0.000412703 -0.00350769 -0.0109518 17
5090 258 H 17.5492 22.8736 35.4073 -0.00845961 0.00374545 0.00204041 17
5091 259 H 17.8522 23.0534 37.8632 0.0118241 0.000282064 -0.00240747 17
5092 260 H 16.349 22.2251 37.6163 -0.000348067 -0.00951937 -0.00486752 17
5093 261 H 17.159 20.1228 38.489 0.00322607 -0.00345979 0.00415541 17
5094 262 H 18.8119 20.4997 37.9364 0.00998878 0.00312192 0.0145245 17
5095 263 H 18.8414 20.5132 40.3132 -0.00139314 0.00173162 -0.00522944 17
5096 264 H 19.2687 22.0244 39.7386 -0.000652231 0.00188053 0.0101199 17
5097 265 H 17.1032 23.086 40.2085 0.0154798 -0.00135304 -0.0121297 17
5098 266 H 16.4091 21.4984 40.6001 0.00142993 -0.0010755 -0.00534374 17
5099 267 H 18.575 23.0831 42.1266 0.00104455 0.00632394 -0.00341529 17
5100 268 H 16.8806 22.9065 42.5893 0.000801882 0.00539879 -0.00625822 17
5101 269 H 17.2667 20.3991 42.9582 0.00288904 -0.0089446 0.00190429 17
5102 270 H 18.9196 20.6519 42.4333 -0.00204157 -0.0115377 0.0127244 17
5103 271 H 18.9402 20.4474 44.7908 0.00749045 0.00501116 0.0124417 17
5104 272 H 19.515 22.0373 44.2315 -0.0029736 0.00559906 -0.00133194 17
5105 273 H 17.3377 23.0609 45.0139 -0.00728671 -0.00486335 0.00414523 17
5106 274 H 16.7409 21.3738 45.2691 0.00056618 0.00069493 0.000513154 17
5107 275 H 17.4832 22.644 47.367 0.00231076 0.00315216 -0.00612782 17
5108 276 H 18.3709 21.0839 47.1227 -0.00799699 -0.00427336 0.000976412 17
5109 277 H 19.1142 22.6864 46.7762 0.000693937 0.000821713 0.00779371 17
5110 278 H 17.3245 12.6085 33.8163 -0.000511323 0.00210632 -0.00618385 17
5111 279 H 18.3715 14.0386 34.3032 -0.000583644 -0.00477883 0.00719635 17
5112 280 H 15.7991 13.0093 35.6493 0.000949114 0.00126059 0.00544274 17
5113 281 H 16.5983 14.4817 36.1052 0.0126708 0.00135078 -0.000736127 17
5114 282 H 18.6736 13.1707 36.8107 -0.00272383 0.00935778 0.00163908 17
5115 283 H 17.9026 11.7361 36.1089 -0.00267309 0.000276984 0.00110529 17
5116 284 H 16.3755 11.6591 38.0338 -0.00494782 -0.00138688 -0.00841059 17
5117 285 H 16.499 13.4554 38.2057 0.0054775 0.00290408 -0.00939847 17
5118 286 H 18.638 13.3595 39.2357 -0.00028552 -0.00502888 0.00836971 17
5119 287 H 18.8233 11.6639 39.0265 -0.00466218 -0.00674042 0.000466423 17
5120 288 H 17.037 11.1531 40.5875 -0.0167409 0.00507289 -0.00819913 17
5121 289 H 16.376 12.7898 40.5332 -0.000977599 2.87396e-05 -0.00048011 17
5122 290 H 18.3505 13.6621 41.736 0.0134584 0.000446115 0.00728922 17
5123 291 H 19.0989 12.0519 41.7308 -0.00174589 -0.00722648 -0.00378164 17
5124 292 H 17.417 11.0295 43.0706 0.00140569 0.00128242 0.00373747 17
5125 293 H 16.3852 12.4852 43.0055 0.00613501 0.0133518 0.00110641 17
5126 294 H 18.0212 13.7716 44.2748 0.00758785 0.00338826 0.0123992 17
5127 295 H 19.1817 12.4087 44.289 0.0018573 -0.00237199 0.00622875 17
5128 296 H 17.4128 11.0143 45.5 0.0196888 -0.00174561 0.00478893 17
5129 297 H 16.3326 12.3756 45.4032 -0.00495937 -0.00563016 -0.00791948 17
5130 298 H 17.7658 13.7657 46.862 0.0222489 0.00131786 -0.0159428 17
5131 299 H 19.0399 12.5422 46.777 0.00530153 0.00736355 -0.00896424 17
5132 300 H 17.6173 10.9271 47.9941 -0.00191927 -0.00171029 -0.0163219 17
5133 301 H 16.2856 12.1391 48.1241 0.000497166 0.00427873 -0.0158156 17
5134 302 H 17.7966 12.3394 48.992 0.0109338 0.00383732 -0.00510224 17
5135 1 C 21.4892 27.1373 31.6066 0.000101202 0.00246567 -0.000851174 18
5136 2 C 21.6262 27.0421 30.2395 0.000584313 0.000664772 -0.00063956 18
5137 3 C 21.033 26.0413 29.5021 0.001706 0.00209626 0.000199522 18
5138 4 C 20.2963 25.074 30.2014 0.00324388 -0.00209047 0.000821999 18
5139 5 C 20.1388 25.0797 31.5972 -0.00223434 -0.000395821 -0.00277606 18
5140 6 C 20.7403 26.1891 32.3344 -0.000844344 -0.00279752 -0.0042384 18
5141 7 C 15.6631 23.6749 30.9513 0.00401529 -0.00462005 -0.00199276 18
5142 8 C 15.8612 23.6576 29.5877 -0.000168424 0.00048239 -0.00108077 18
5143 9 C 17.1439 23.6553 29.0456 -0.000552554 -0.00177322 -0.00317041 18
5144 10 C 18.2211 23.7431 29.9477 0.0029198 -0.00187798 -0.00055694 18
5145 11 C 18.0278 23.766 31.3638 0.000201815 0.00297927 -0.00205974 18
5146 12 C 16.6959 23.7524 31.8579 -0.002442 0.000611193 0.000293822 18
5147 13 C 21.354 20.4986 31.719 0.00123218 0.0065508 0.00106349 18
5148 14 C 21.5404 20.5554 30.3459 -0.00256861 0.00262417 -0.000816207 18
5149 15 C 21.0391 21.6119 29.6322 -0.00422842 -0.0026437 0.001916 18
5150 16 C 20.3559 22.6416 30.2992 0.00486789 -0.00120815 0.0084943 18
5151 17 C 19.6981 23.8205 29.5612 -0.000976367 -0.000525306 -0.0034948 18
5152 18 O 20.5621 21.4658 33.8301 0.000353395 -0.00205951 0.000644225 18
5153 19 O 16.3964 23.8389 33.2351 0.00196146 -0.00197634 -0.00308897 18
5154 20 O 20.6138 26.3649 33.6751 0.00276957 0.00114089 -0.000156636 18
5155 21 C 20.686 21.5399 32.435 -0.00259054 -0.00140562 -0.000125576 18
5156 22 C 19.9315 23.7768 28.1143 0.000927965 -0.00551382 -0.000427612 18
5157 23 C 20.362 23.6643 27.0076 -0.00257506 -0.00134377 0.000598374 18
5158 24 C 21.0328 23.5668 25.7368 -0.000220574 -0.00342348 -0.00249098 18
5159 25 C 21.0587 24.6593 24.8705 -0.00226574 -0.000281242 0.00196449 18
5160 26 C 21.8709 24.6768 23.7041 -0.00304541 -0.00317634 -8.67574e-05 18
5161 27 C 22.8107 23.6655 23.544 0.00162423 0.000347962 -4.94092e-05 18
5162 28 C 22.8724 22.5864 24.4271 0.00265197 -0.00052513 0.00191988 18
5163 29 C 22.0109 22.5443 25.5319 -0.00250673 0.000206588 -0.00654212 18
5164 30 C 23.6629 23.7201 22.3964 0.00180609 0.000344873 0.00166185 18
5165 31 C 24.1897 23.7633 21.3151 0.000828985 -0.00178678 0.00458744 18
5166 32 C 22.5697 20.6368 18.7906 0.00246227 -0.00361393 -0.000621294 18
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5172 38 C 24.5151 23.791 19.9097 -0.00193291 -0.00343004 2.83891e-05 18
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5176 42 C 26.1819 23.6671 18.0955 0.0041723 0.000546773 -0.00386325 18
5177 43 C 25.9724 23.5903 19.4812 -0.00302917 -0.00529445 0.00749953 18
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5179 45 C 23.3679 27.479 19.29 -0.00111018 0.00213733 -0.00446224 18
5180 46 C 23.57 27.5359 17.8932 0.00533559 0.00384198 -0.00205952 18
5181 47 C 24.074 26.4123 17.2142 -0.00540162 -0.000313531 -0.0011106 18
5182 48 C 24.3621 25.2244 17.903 -0.000445123 0.00283491 -0.0010515 18
5183 49 C 24.9217 23.9556 17.2942 -0.00265999 -0.000102408 -1.23728e-05 18
5184 50 C 24.1707 25.1656 19.2886 0.00113912 0.000411695 -0.00615326 18
5185 51 C 23.6451 26.2606 19.9783 -0.00230076 0.000688827 -0.00184833 18
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5190 56 C 20.1885 22.6271 31.6951 -0.00196072 0.00151352 0.00155002 18
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5194 60 C 26.3102 23.0919 11.6908 -0.00122593 0.00206843 -0.000904444 18
5195 61 C 27.0111 23.4573 10.3475 -0.00051626 -0.00115872 -0.00226962 18
5196 62 C 26.1641 23.3873 9.03992 0.00216251 -0.00329914 -0.00284002 18
5197 63 C 26.9904 23.8273 7.80222 -0.00397197 -0.00273007 -0.00356685 18
5198 64 C 26.2443 23.5492 6.49915 -0.00373366 0.00137793 -0.00661024 18
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5200 66 C 26.3286 23.4329 3.97272 -0.000283643 -0.00590387 -0.00512702 18
5201 67 C 27.0309 24.0027 2.70966 -0.00106889 0.00207342 0.00286297 18
5202 68 C 26.5185 23.4575 1.3717 -0.00169728 -0.00383973 -0.000261913 18
5203 69 F 21.7877 25.7405 22.8831 -0.00158599 0.000545351 -0.00384954 18
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5205 71 C 23.2171 21.9885 13.263 -0.000168402 6.45767e-05 -0.00246644 18
5206 72 C 23.1993 21.1157 11.9908 0.0019345 0.00199821 -0.00331018 18
5207 73 C 23.0046 21.9565 10.7287 -0.00269129 -0.000399067 -9.87273e-05 18
5208 74 C 23.076 21.1403 9.45057 -0.00443522 -0.000976492 -0.00257449 18
5209 75 C 22.8717 21.9893 8.18838 0.000312961 0.00233064 0.0048477 18
5210 76 C 23.204 21.2198 6.93428 -0.0027012 -0.000173378 -0.000126245 18
5211 77 C 23.0877 22.0614 5.66675 -6.94831e-05 -0.00200491 0.00210143 18
5212 78 C 23.3695 21.2125 4.39721 0.00352181 0.00489035 0.00076195 18
5213 79 C 23.0445 21.9525 3.12063 -0.00129008 0.000934662 0.00213012 18
5214 80 C 22.7687 21.0194 1.88567 -0.00124572 -0.0014464 0.000409009 18
5215 81 C 24.0724 20.2489 1.58364 -0.00133123 0.000517526 0.00488603 18
5216 82 C 25.6735 26.6538 15.51 0.000142614 -0.00120358 -0.00200483 18
5217 83 C 25.8931 26.2823 14.0295 0.00185459 0.00256858 0.000121957 18
5218 84 C 25.9391 27.4754 13.1145 0.0015232 -0.00328451 -0.00185364 18
5219 85 C 26.1813 27.2454 11.5975 0.00264464 0.000348173 0.00303372 18
5220 86 C 25.1783 28.0076 10.7233 -0.00241782 0.00139018 -0.00431843 18
5221 87 C 25.2461 27.762 9.20049 -0.000714828 0.00389572 -0.0038284 18
5222 88 C 26.4334 28.411 8.51293 -0.00431082 -0.000197503 0.00061248 18
5223 89 C 26.2732 28.5528 7.01626 -0.00207007 0.00383482 0.00487682 18
5224 90 C 26.0095 27.223 6.29652 -0.00328136 -0.00111824 -0.00378754 18
5225 91 C 25.6124 27.3751 4.78753 -0.000834124 0.0027423 0.0022541 18
5226 92 C 26.6357 28.1018 3.87242 -0.00327015 -0.00197419 0.00163794 18
5227 93 C 26.1568 28.1024 2.43068 0.00328086 0.000299716 0.000768716 18
5228 94 C 15.0448 23.6279 33.7266 0.00244992 0.00229143 -0.000529782 18
5229 95 C 14.8848 24.0534 35.1676 -0.000735094 -6.90908e-05 0.000605343 18
5230 96 C 13.4536 23.9498 35.7471 -0.00104438 -0.000610152 0.00144388 18
5231 97 C 13.3804 23.7269 37.317 0.00109816 0.000824823 0.000634195 18
5232 98 C 14.0761 24.805 38.1465 -0.00396454 -0.000160031 0.00162581 18
5233 99 C 14.5164 24.3408 39.5532 -0.000609478 0.000108158 -0.000929784 18
5234 100 C 13.311 24.0694 40.4797 -0.00224242 0.00361191 -0.000956366 18
5235 101 C 13.7417 23.7054 41.9168 0.00200309 0.0012034 -0.000156511 18
5236 102 C 14.2284 24.8367 42.8377 -0.00167524 0.000205062 -0.00177272 18
5237 103 C 14.5937 24.3045 44.2151 -0.00240766 0.000357868 0.00106919 18
5238 104 C 13.4119 23.7419 44.9957 0.00273805 -0.000382524 -0.00435917 18
5239 105 C 13.7941 23.3468 46.4206 0.00289535 0.00101299 0.000594089 18
5240 106 C 20.6123 27.6794 34.289 0.0012429 -0.000619859 0.00486516 18
5241 107 C 20.7812 27.6587 35.8299 4.24021e-05 -0.000231501 -0.00198331 18
5242 108 C 21.6615 28.8949 36.302 0.00238032 0.000297156 -0.00240773 18
5243 109 C 21.5461 29.0969 37.8094 -0.000906592 -0.0023052 0.000933246 18
5244 110 C 21.628 27.7849 38.6164 0.00260836 -9.51055e-05 -0.00424922 18
5245 111 C 22.1112 27.9961 40.0689 0.0013791 -0.00368187 0.000629276 18
5246 112 C 21.2001 28.9045 40.8792 -0.000539559 -0.00128392 0.00135202 18
5247 113 C 21.7195 29.2128 42.3011 -0.00197913 0.00483785 -0.0048917 18
5248 114 C 21.9759 27.9335 43.1576 -0.00131619 0.00388926 -0.000606669 18
5249 115 C 22.4969 28.1879 44.5445 -0.00278378 0.000377331 0.000714444 18
5250 116 C 21.4966 28.6819 45.5592 0.00340123 0.00297784 0.00136584 18
5251 117 C 22.0714 28.9065 46.992 0.00332865 -0.00252584 -0.000657646 18
5252 118 C 21.2136 20.3707 34.5081 -0.00302105 -0.00169232 -0.000353547 18
5253 119 C 20.8564 20.299 35.9836 0.000423356 -0.00192033 -0.000783345 18
5254 120 C 21.8722 19.426 36.7658 0.00466544 -0.00160573 -0.000676115 18
5255 121 C 21.4526 19.2679 38.2597 0.00137991 0.000802418 -0.00187144 18
5256 122 C 22.4793 18.4403 39.0134 -0.00526046 -0.00118268 -0.00434137 18
5257 123 C 21.9968 18.0721 40.4028 -0.000414334 0.00238656 -0.000246711 18
5258 124 C 21.9631 19.2787 41.3367 -0.00390787 -0.0017255 -0.00408273 18
5259 125 C 21.54 18.7889 42.7858 -0.00439367 0.0011122 -0.00337544 18
5260 126 C 21.9876 19.6966 43.9356 0.000671574 0.0036143 0.00512996 18
5261 127 C 21.893 18.9282 45.2623 0.000690439 -0.00140989 0.00155905 18
5262 128 C 22.5365 19.7443 46.3697 -0.000119483 -0.00177277 -0.0026848 18
5263 129 C 22.4734 19.0758 47.7296 0.0038341 0.00305297 0.00157774 18
5264 130 F 20.2905 25.7383 25.0961 -0.00128198 -0.00377754 0.00354506 18
5265 131 H 21.9661 27.9863 32.0873 0.0073088 -0.00579711 0.0065954 18
5266 132 H 22.2212 27.8075 29.7501 0.00497977 0.00323611 0.00869239 18
5267 133 H 21.2403 26.0034 28.4368 0.00126478 -0.0064965 0.000422828 18
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5273 139 H 21.2277 21.6151 28.5627 -0.00859578 -0.00320418 0.00114836 18
5274 140 H 23.7089 21.9057 24.2988 0.00438323 0.00417601 -0.0119342 18
5275 141 H 22.0863 21.7307 26.2473 -0.00364564 8.22804e-05 -0.00656172 18
5276 142 H 22.0561 19.7976 19.2504 -0.0120138 0.00256961 -0.00546721 18
5277 143 H 22.268 20.0245 16.7389 0.00789147 0.000205691 0.00116959 18
5278 144 H 22.9744 21.5525 20.7087 0.00235398 -0.00101774 0.00182506 18
5279 145 H 29.208 23.2224 20.39 -0.00814902 -0.0034373 0.0108577 18
5280 146 H 29.5075 23.537 17.8661 -0.00581821 0.00712558 -0.0016443 18
5281 147 H 26.9854 23.3932 21.3758 0.0188619 0.00494764 0.00216879 18
5282 148 H 23.0199 28.3102 19.8962 0.00121217 -0.00329063 0.00436315 18
5283 149 H 23.2698 28.4302 17.3553 -0.0112464 0.00739628 0.0130352 18
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5285 151 H 23.5111 26.2079 21.0547 -0.000553595 0.0052611 -0.00140861 18
5286 152 H 19.2192 23.8552 33.2862 -0.00703655 0.00558892 0.001891 18
5287 153 H 28.8612 22.6309 14.8669 0.00624476 -0.0118098 0.0114895 18
5288 154 H 27.7997 21.6241 15.8404 -0.0046461 0.00770003 0.00730581 18
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5290 156 H 26.2795 21.6368 14.0852 0.00586997 -0.00658742 0.00481841 18
5291 157 H 28.1354 22.3449 12.6432 0.00687707 0.00294734 -0.00156139 18
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5293 159 H 25.5506 23.8463 11.9303 1.92983e-06 -2.09136e-06 0.00953563 18
5294 160 H 25.9112 22.0729 11.6138 0.00262232 0.0010452 -0.00744302 18
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5296 162 H 27.3865 24.472 10.5289 -0.00689166 -0.000370688 0.00668509 18
5297 163 H 25.2657 24.0002 9.1835 0.010273 0.00718453 0.00299398 18
5298 164 H 25.7163 22.3901 8.94767 0.00307837 -0.00439295 0.00443425 18
5299 165 H 27.9714 23.3365 7.81445 -0.000281557 0.0044242 -0.0126996 18
5300 166 H 27.1445 24.9078 7.91292 0.0189023 -0.00518843 -0.0117374 18
5301 167 H 25.3611 24.1998 6.49891 -0.00428269 0.000626347 -0.00925714 18
5302 168 H 25.9612 22.4898 6.46566 0.00420959 -0.00106182 0.00329257 18
5303 169 H 27.9856 23.1351 5.23614 0.00111893 -0.00354002 0.0015862 18
5304 170 H 27.4284 24.8447 5.17962 -0.00799852 -0.00381931 -0.00667013 18
5305 171 H 25.3186 23.8538 4.05031 -0.00385081 -0.016551 0.0062141 18
5306 172 H 26.2252 22.3516 3.8191 0.00559405 -0.00536887 -0.0129734 18
5307 173 H 28.123 23.9117 2.75871 -0.00107725 0.00625565 0.0110272 18
5308 174 H 26.9208 25.0941 2.71969 -0.0116997 0.000958757 0.00600066 18
5309 175 H 25.4264 23.4709 1.26913 -0.00190434 -0.000472699 0.00243665 18
5310 176 H 26.8413 22.4108 1.31045 -0.0113354 -0.00715439 0.0055534 18
5311 177 H 26.9556 23.9894 0.517628 0.0168261 0.00145137 0.0125273 18
5312 178 H 24.2809 20.58 14.4923 0.00328066 0.0104726 -0.00388088 18
5313 179 H 22.482 20.4852 14.5659 -0.00169412 -0.00571701 -0.015545 18
5314 180 H 22.2712 22.5412 13.3196 -0.00305731 -0.00432883 -0.00766416 18
5315 181 H 24.0875 22.6562 13.2637 0.00479061 -0.00636959 0.00460969 18
5316 182 H 24.0902 20.4931 11.8424 -0.00709072 -0.0105223 -0.0051582 18
5317 183 H 22.3542 20.4182 12.0435 -0.00336496 0.00807747 -0.00781797 18
5318 184 H 22.0007 22.3912 10.8102 -0.00136135 0.00307239 -0.00233387 18
5319 185 H 23.7713 22.7353 10.6335 -0.00154981 -0.00100342 0.00420586 18
5320 186 H 24.0568 20.6539 9.38075 -0.011335 -0.0146759 -0.00391279 18
5321 187 H 22.2699 20.3963 9.45553 -0.00965487 0.00468581 -4.67521e-05 18
5322 188 H 21.8394 22.3548 8.12408 7.25875e-05 0.00272673 0.0110347 18
5323 189 H 23.5157 22.8773 8.20039 0.00980958 -0.00461953 0.0089431 18
5324 190 H 24.2277 20.8257 6.94978 -0.00279529 -0.00079937 -0.00875123 18
5325 191 H 22.5327 20.3534 6.88901 0.00870828 -0.00951791 0.00923526 18
5326 192 H 22.0872 22.5106 5.63906 0.00344454 0.0061994 0.00799332 18
5327 193 H 23.8142 22.8828 5.69571 -0.0072338 0.00447681 -0.00226837 18
5328 194 H 24.4245 20.912 4.39506 -0.00235986 -0.0156603 6.90751e-05 18
5329 195 H 22.7144 20.333 4.37291 0.00239215 0.00579124 -0.00165615 18
5330 196 H 22.1417 22.5503 3.29632 -0.00215474 -8.53624e-05 0.00116749 18
5331 197 H 23.891 22.6111 2.88987 0.0112081 -0.0114337 0.0125532 18
5332 198 H 21.9448 20.319 2.07017 -0.00288888 -0.0001287 -0.00193194 18
5333 199 H 22.5211 21.651 1.0236 0.00469807 -0.0131008 -0.00983023 18
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5335 201 H 24.0065 19.5195 0.766888 -0.00309421 0.00603119 0.00011819 18
5336 202 H 24.8168 21.0278 1.37742 -0.00732328 0.00260497 -0.00880061 18
5337 203 H 26.0438 27.6729 15.6765 0.00483264 -0.00341391 0.00106632 18
5338 204 H 26.2094 25.9464 16.155 0.00163803 -0.00757421 -0.010251 18
5339 205 H 26.8841 25.8134 13.9897 -0.00857324 -0.0197113 0.00359676 18
5340 206 H 25.1488 25.508 13.8061 -0.00224738 0.0018126 0.0161921 18
5341 207 H 24.9453 27.9276 13.2208 0.00186582 -0.00454363 0.0066633 18
5342 208 H 26.6772 28.2093 13.4611 -9.76185e-05 0.00304639 -0.0117577 18
5343 209 H 27.2171 27.5007 11.3419 0.00474604 -0.00140447 0.00978093 18
5344 210 H 26.0575 26.175 11.3915 -8.54426e-05 0.00248515 -0.00641027 18
5345 211 H 24.1631 27.7374 11.0389 0.00398845 -0.00827119 0.00795461 18
5346 212 H 25.2154 29.0917 10.8874 0.00695646 0.00150685 -0.00726091 18
5347 213 H 25.235 26.6927 8.95586 0.0103366 0.00454575 -0.00715532 18
5348 214 H 24.3036 28.1248 8.77224 0.00254317 0.0122193 -0.00391184 18
5349 215 H 26.5982 29.4029 8.95163 -0.00553624 0.00385767 -0.00810252 18
5350 216 H 27.2911 27.7657 8.73936 -0.0061993 -0.00713591 -0.0119838 18
5351 217 H 25.4616 29.2588 6.80088 -0.00164451 0.00638244 0.0116378 18
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5353 219 H 26.9115 26.6084 6.4066 -0.00320335 -0.00183579 -0.00844525 18
5354 220 H 25.1905 26.6957 6.80098 0.00418461 -7.92022e-05 0.0094328 18
5355 221 H 25.4728 26.3744 4.36035 0.0150964 -0.00195921 0.00803619 18
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5358 224 H 27.5886 27.5583 3.88601 -0.00354638 -0.00236497 0.00518905 18
5359 225 H 26.8966 28.6394 1.82424 0.00474537 -0.00765054 -0.00446889 18
5360 226 H 25.9782 27.1032 2.01458 -0.00798559 0.00529883 -0.00643402 18
5361 227 H 25.2123 28.6583 2.38251 0.00227064 -0.00204509 -0.00637776 18
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5363 229 H 14.8194 22.5558 33.6701 0.0186299 -0.000715796 -0.00785111 18
5364 230 H 15.4937 23.4142 35.8188 -0.00519768 -0.00527723 -0.000332222 18
5365 231 H 15.2193 25.084 35.3394 -0.00216004 -3.30766e-05 0.00319964 18
5366 232 H 12.7863 24.7625 35.4349 -0.0058375 -0.00149041 0.00939264 18
5367 233 H 12.9803 23.0636 35.3066 0.00322284 0.00021384 -0.00477241 18
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5375 241 H 12.7969 23.1921 40.068 0.00479597 -0.00786223 0.01468 18
5376 242 H 12.8093 23.337 42.3621 0.00740498 0.000200325 0.0102992 18
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5378 244 H 15.0563 25.3708 42.3553 -0.0017403 -0.00248341 -0.00485751 18
5379 245 H 13.4994 25.6503 42.9383 -0.0138521 -0.00971043 -0.0101551 18
5380 246 H 15.4086 23.5727 44.1543 -0.00328348 0.000706795 -0.0147695 18
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5383 249 H 13.0678 22.801 44.5487 -0.0027801 0.00176147 -0.00462198 18
5384 250 H 14.0232 24.2845 46.9418 0.0105492 -0.00235612 0.00326582 18
5385 251 H 12.9616 22.8246 46.9081 0.00143911 0.00652338 0.00399756 18
5386 252 H 14.6411 22.6549 46.5055 -0.0018508 -0.00500397 -0.00101693 18
5387 253 H 21.4003 28.3195 33.8734 0.00380768 -0.00795403 -0.00157593 18
5388 254 H 19.6952 28.2135 34.0115 0.0118406 0.019524 0.00843078 18
5389 255 H 19.811 27.7422 36.3349 -0.00327867 -0.0131789 -0.00625036 18
5390 256 H 21.2385 26.7117 36.142 -0.00632876 0.00406432 0.0203949 18
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5392 258 H 21.3963 29.8431 35.8182 0.00993425 0.00403325 0.000773944 18
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5394 260 H 20.6238 29.6572 38.0063 -0.0122419 -0.0236954 0.00848655 18
5395 261 H 20.6378 27.3175 38.5503 -0.00356858 0.0121847 0.001206 18
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5397 263 H 22.1825 27.0248 40.5738 0.0200154 -0.00386546 -0.00238113 18
5398 264 H 23.1141 28.4393 40.035 -0.00743145 0.0160335 -0.0020543 18
5399 265 H 21.0509 29.8599 40.3612 0.00632958 -0.0042696 -0.00613185 18
5400 266 H 20.2292 28.3949 40.9102 -9.87464e-05 -0.00215586 0.000872851 18
5401 267 H 22.6674 29.7613 42.2377 -0.00127301 0.00162582 -0.0217274 18
5402 268 H 21.0497 29.8998 42.833 -0.0165457 -0.00198539 -0.0144764 18
5403 269 H 21.039 27.3687 43.2379 0.00409803 -0.00494945 0.000380141 18
5404 270 H 22.6591 27.2564 42.63 -0.00132001 0.00436742 -0.0012263 18
5405 271 H 22.9885 27.2719 44.8948 -0.00159908 -0.007149 -0.0205634 18
5406 272 H 23.3114 28.9188 44.4686 -0.00338017 -0.000221552 -0.0115376 18
5407 273 H 21.0365 29.6031 45.1808 0.00049474 -0.00283436 -0.00926328 18
5408 274 H 20.6998 27.928 45.5517 0.00290534 0.00351709 -0.000833163 18
5409 275 H 22.2583 27.972 47.5351 0.00324796 0.000957631 0.00537282 18
5410 276 H 22.9963 29.4965 46.9984 0.00537855 -0.00583613 0.00896835 18
5411 277 H 21.36 29.5184 47.5602 0.0067069 -0.0128998 0.0147056 18
5412 278 H 20.9307 19.4217 34.0362 0.00801184 -0.0156432 0.0211347 18
5413 279 H 22.2949 20.5108 34.3871 -0.00154408 -0.00804816 0.00554943 18
5414 280 H 19.8219 19.9558 36.1076 0.000710941 -0.00373547 -0.00343852 18
5415 281 H 20.806 21.2837 36.4645 -0.00582027 -0.00544541 0.00580927 18
5416 282 H 22.8893 19.8241 36.6636 0.00520501 -0.001836 0.00384754 18
5417 283 H 21.9186 18.4427 36.2816 -0.00186761 0.00393491 -0.0125712 18
5418 284 H 20.4617 18.7997 38.3079 0.00383437 -0.00451374 -0.00313468 18
5419 285 H 21.3612 20.2472 38.7456 0.000724669 0.00652701 -0.0135392 18
5420 286 H 23.4534 18.9419 39.0673 -0.00140916 -0.00927979 0.00146008 18
5421 287 H 22.5973 17.517 38.4329 0.00883819 -0.00512636 0.00482511 18
5422 288 H 22.6299 17.3127 40.8782 0.0087768 0.00619422 -0.00646196 18
5423 289 H 21.0129 17.5939 40.3206 -0.000523281 0.000818139 0.0101105 18
5424 290 H 21.2686 20.0396 40.9598 -0.00595353 0.00337699 0.0100031 18
5425 291 H 22.9646 19.7228 41.3921 -0.0031093 -0.00442607 0.00333714 18
5426 292 H 21.8213 17.7447 42.9701 0.00990327 0.00524334 -0.00193763 18
5427 293 H 20.4438 18.7612 42.8161 -0.0048818 0.00332284 -0.0185506 18
5428 294 H 21.4175 20.6259 44.0577 -0.000135531 0.00429144 -0.00397462 18
5429 295 H 23.0131 20.0382 43.7484 0.00876257 -0.0105908 0.0235871 18
5430 296 H 22.3778 17.9463 45.1982 0.01025 0.00320954 0.00326816 18
5431 297 H 20.8411 18.7155 45.4899 0.00158042 0.00762625 0.0140657 18
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5433 299 H 23.5842 19.9371 46.1079 -0.00231448 0.000680382 -0.00967387 18
5434 300 H 23.061 18.1529 47.8086 -0.00163109 -0.00119404 -0.00759017 18
5435 301 H 21.4495 18.8194 48.0284 0.0072881 -0.00340747 0.00792362 18
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5438 2 C 25.1987 20.4467 29.4261 0.000805432 -0.00215803 0.00127381 19
5439 3 C 24.7733 19.303 28.7646 -0.000967589 -0.000916503 -0.00399558 19
5440 4 C 24.1885 18.2945 29.5084 0.00295132 -0.00179153 0.00208071 19
5441 5 C 24.0742 18.3821 30.9182 -0.00168981 0.00283851 0.00189726 19
5442 6 C 24.5463 19.547 31.6068 0.000600247 -0.00133936 -0.00299003 19
5443 7 C 19.6682 16.8354 30.5146 0.00481452 -0.00106919 -0.00205192 19
5444 8 C 19.7747 16.7582 29.1136 0.00166932 -0.000437085 -6.17551e-05 19
5445 9 C 21.0369 16.8672 28.5304 0.00329633 0.00453756 -0.000866242 19
5446 10 C 22.1574 17.0289 29.4039 -0.00177832 0.00245586 0.00149889 19
5447 11 C 22.0159 17.0626 30.8099 0.00163712 -0.00555621 -0.000880935 19
5448 12 C 20.7266 17.0371 31.398 -0.00118334 0.00221149 0.00263324 19
5449 13 C 25.233 13.6463 30.9424 -0.00254166 0.000193678 -0.00241417 19
5450 14 C 25.3563 13.6587 29.5705 -0.00249889 -0.00287044 0.00169561 19
5451 15 C 24.815 14.7572 28.8876 0.00204044 0.00134271 -0.000493558 19
5452 16 C 24.2011 15.8473 29.5592 -0.000562959 -0.0015328 0.00351117 19
5453 17 C 23.5665 17.034 28.8664 0.00187062 -0.00252966 0.00413688 19
5454 18 O 24.5209 14.6033 33.0369 0.00189558 0.00158703 0.0037747 19
5455 19 O 20.5567 17.1817 32.7499 0.000123927 0.00190954 0.00167451 19
5456 20 O 24.5347 19.7556 32.9748 0.000807742 0.00173063 -0.00158529 19
5457 21 C 24.6686 14.7178 31.6677 -0.000227299 -0.000152254 0.00327678 19
5458 22 C 23.8141 17.0331 27.3808 -0.00209308 -0.00160669 0.00113687 19
5459 23 C 24.2854 17.0444 26.2657 0.0064603 0.00413669 -0.000943227 19
5460 24 C 25.0862 17.0905 25.0825 0.00173249 -0.00186891 0.00183879 19
5461 25 C 25.1022 18.2205 24.2646 -0.00178997 0.0023653 -0.00142703 19
5462 26 C 26.0001 18.2864 23.165 0.00153185 0.00227656 0.00360329 19
5463 27 C 26.8889 17.2089 22.9348 0.00469081 -0.00100565 0.00385205 19
5464 28 C 26.8529 16.0806 23.7616 0.0010148 -0.00053153 0.00501065 19
5465 29 C 26.0019 16.0439 24.8614 -0.000871821 -0.00103602 -0.00161859 19
5466 30 C 27.7225 17.1878 21.7475 -0.00223984 0.000676912 -0.000831561 19
5467 31 C 28.2829 17.1685 20.6691 0.00116063 0.00117914 -4.82018e-05 19
5468 32 C 27.7807 13.3692 18.6476 0.00393284 0.00135497 0.000856067 19
5469 33 C 28.1302 13.2644 17.2935 -0.00299348 0.00320732 -0.000310449 19
5470 34 C 28.3424 14.4273 16.538 -0.00504685 -0.000222464 -0.00206562 19
5471 35 C 28.3299 15.7007 17.1787 -0.00429488 -0.000114066 0.000692258 19
5472 36 C 28.1468 15.7449 18.5929 0.00159346 -0.00274761 0.00292813 19
5473 37 C 27.8821 14.5805 19.3162 -0.0013321 0.000907503 0.00216699 19
5474 38 C 28.575 17.0865 19.2216 -0.00043411 0.00699437 -0.00102116 19
5475 39 C 32.4274 17.1089 18.8407 0.00257397 0.00284972 -0.00397772 19
5476 40 C 32.5167 17.1398 17.4447 -0.00365415 0.00274554 0.00518572 19
5477 41 C 31.3373 17.233 16.6491 0.000536058 -0.00438387 0.0023024 19
5478 42 C 30.1114 17.1544 17.279 -0.00146783 -0.00263676 0.00450558 19
5479 43 C 30.0191 17.1498 18.7004 0.000322502 -0.000632212 0.00277117 19
5480 44 C 31.1899 17.1857 19.464 -0.00188423 -0.00107727 -0.00697909 19
5481 45 C 26.3563 20.171 18.3431 0.00273406 -0.00104112 -0.00436863 19
5482 46 C 26.3215 20.034 16.9718 0.00205412 -0.00575357 9.12356e-05 19
5483 47 C 27.1635 19.1054 16.2972 -0.00274977 0.00193123 0.000670592 19
5484 48 C 27.8615 18.1375 17.0541 0.00145647 -0.000730958 -0.00494167 19
5485 49 C 28.8064 17.0202 16.5171 0.00490118 -0.005126 -0.00171925 19
5486 50 C 27.8151 18.2138 18.4843 0.00124587 -0.002107 -0.00323397 19
5487 51 C 27.0982 19.2528 19.0934 0.000147732 -0.00555453 -0.00136803 19
5488 52 O 31.4178 17.3216 15.2887 0.000411035 -0.00397034 0.00220032 19
5489 53 O 28.6501 14.3293 15.2069 0.00164897 0.000751497 0.000196427 19
5490 54 O 27.1583 19.2894 14.943 0.00271537 0.00334882 -0.00116634 19
5491 55 C 23.4259 17.1048 31.5467 0.000458933 -0.000793421 0.00223042 19
5492 56 C 24.1565 15.8482 30.9721 -0.000756257 -0.00423836 -5.07238e-05 19
5493 57 C 31.3848 16.251 14.3198 0.000449851 0.00144149 0.000196868 19
5494 58 C 30.589 16.7425 13.0492 0.000502612 0.00165895 -0.00355999 19
5495 59 C 31.1582 16.2344 11.7146 -0.00144265 0.000687429 0.00125547 19
5496 60 C 30.4167 16.8009 10.4855 0.00151511 -0.0038248 0.00369561 19
5497 61 C 30.9631 16.2939 9.14793 0.00208483 0.00407509 0.00556928 19
5498 62 C 30.1202 16.8947 8.00873 0.00391785 -0.00592139 -0.00231347 19
5499 63 C 30.4682 16.2939 6.65571 -0.000620779 -0.000382984 0.000302185 19
5500 64 C 31.7792 16.8282 6.03797 -0.000100907 0.00106385 -0.00231914 19
5501 65 C 32.0893 16.2425 4.62797 -0.00145253 -0.00234826 -0.000104256 19
5502 66 C 31.1894 16.7592 3.52437 0.000232924 -0.000262813 -0.00215604 19
5503 67 C 31.6352 16.2885 2.11565 -0.00165541 0.000134096 -0.000939227 19
5504 68 C 30.6297 16.5623 0.989787 -0.00127553 -0.000929548 0.00213926 19
5505 69 F 25.956 19.2934 22.2734 -0.002422 0.00270822 0.0020742 19
5506 70 C 28.9368 13.0768 14.5728 -0.00022482 -0.00251661 0.000754933 19
5507 71 C 29.4077 13.3858 13.1594 0.000778806 -0.000802357 0.000347712 19
5508 72 C 29.3775 12.1794 12.1711 -0.000618657 0.000897028 -0.00269057 19
5509 73 C 29.6037 12.6364 10.7115 0.0025575 -0.00103805 -0.00302365 19
5510 74 C 30.0544 11.5231 9.75815 0.00133818 0.000153474 0.00632118 19
5511 75 C 30.1096 12.0667 8.33038 3.82209e-05 -0.00307543 0.0007959 19
5512 76 C 30.6305 11.0052 7.39753 -0.00389947 0.00392021 -0.00170823 19
5513 77 C 30.9184 11.4633 5.99307 -0.00307111 -0.00541695 -0.00400814 19
5514 78 C 29.6205 11.8106 5.2331 -0.000879398 -5.36923e-05 -0.00245232 19
5515 79 C 29.724 11.7035 3.71398 0.00186721 0.000386953 -0.00237283 19
5516 80 C 30.581 12.7954 3.09239 -0.00150863 0.00169371 -0.00477661 19
5517 81 C 30.6331 12.7056 1.58083 -0.00203358 -0.000452276 -0.00300325 19
5518 82 C 27.6135 18.5119 13.8126 0.00166904 0.00100769 0.00192937 19
5519 83 C 27.1071 19.2669 12.5749 -0.00196837 -0.00125641 0.00054703 19
5520 84 C 27.2287 18.5445 11.1903 0.0025139 0.000221847 0.00284732 19
5521 85 C 26.3439 19.3289 10.1795 -0.00113634 -0.00113444 -0.000976292 19
5522 86 C 26.4613 18.8795 8.72698 0.00220386 -0.00385119 0.00336445 19
5523 87 C 27.6799 19.4793 7.96088 -0.000636127 0.000924456 -0.00226059 19
5524 88 C 27.799 18.9514 6.52314 0.00082101 -0.00189842 0.00389779 19
5525 89 C 26.6956 19.5139 5.59581 0.000515802 -0.00305966 0.0041269 19
5526 90 C 27.2963 19.8663 4.22579 0.00237124 0.000188182 -0.00119208 19
5527 91 C 28.1399 18.8124 3.43903 -0.00208054 0.00138734 -0.00100038 19
5528 92 C 27.3771 18.0477 2.3365 0.00174069 0.00148319 0.00196603 19
5529 93 C 27.0714 18.8894 1.08355 -0.00210565 0.00446033 0.000902409 19
5530 94 C 19.2772 16.9382 33.3492 -0.00049694 0.00163735 -0.0033388 19
5531 95 C 19.2408 17.326 34.8256 0.000939213 0.00080509 0.00156606 19
5532 96 C 17.8528 17.1504 35.436 0.00258263 0.00202012 0.00308065 19
5533 97 C 17.7399 17.4075 36.9333 -0.000922482 -0.0016264 0.00124994 19
5534 98 C 18.5016 16.3479 37.8069 0.00260543 -0.000436951 -0.00231992 19
5535 99 C 18.1945 16.2596 39.3305 0.000916284 0.0020447 -4.12268e-05 19
5536 100 C 18.0568 17.6134 40.0253 0.000934917 -0.00342578 -0.000615706 19
5537 101 C 18.4247 17.6226 41.526 0.0018406 0.000111074 0.00104036 19
5538 102 C 17.4976 16.9299 42.5317 0.000249745 -0.00144615 0.0036719 19
5539 103 C 17.9095 17.3666 43.9709 0.00022314 -0.00325589 0.00114191 19
5540 104 C 17.0068 16.7662 45.076 0.000182575 -0.00461109 -0.000495984 19
5541 105 C 17.2499 17.4579 46.427 0.000947666 -0.00120404 0.00217249 19
5542 106 C 25.4974 20.6882 33.618 7.33957e-05 0.00158321 -0.00334029 19
5543 107 C 25.2574 20.7915 35.1265 -0.00165262 -0.00477591 0.00438775 19
5544 108 C 25.9114 21.9991 35.8112 -6.81321e-05 0.000161353 -3.11402e-05 19
5545 109 C 26.0209 21.9556 37.3605 -0.000990499 0.000264023 0.00337713 19
5546 110 C 24.7956 21.3704 38.062 0.00210512 0.000513519 0.00265941 19
5547 111 C 24.4932 21.8661 39.4732 -0.001399 -0.00400063 0.000906172 19
5548 112 C 25.4522 21.402 40.5879 -0.00127357 0.00103949 -0.00248772 19
5549 113 C 24.9246 22.0301 41.9123 0.00232355 -0.00373511 -0.00310589 19
5550 114 C 25.7036 21.5455 43.1499 -0.00296913 5.99484e-06 0.00205302 19
5551 115 C 25.0767 22.0575 44.4256 -0.000495444 -0.000798669 -0.00488943 19
5552 116 C 25.7786 21.5847 45.6954 0.000725786 -0.00270151 0.00184025 19
5553 117 C 25.1135 22.1436 46.9788 0.000178842 0.000768914 -0.000391869 19
5554 118 C 24.95 13.4321 33.7876 -0.00293301 -0.000415588 0.00318453 19
5555 119 C 25.1967 13.8627 35.2521 -0.00242939 -0.00146139 -0.00219375 19
5556 120 C 25.3496 12.6882 36.2355 -0.000406172 -0.000980347 0.0028383 19
5557 121 C 25.79 13.2451 37.6052 -0.00243087 -0.00280384 -0.00342915 19
5558 122 C 26.0191 12.1597 38.6759 0.00325143 0.00254984 0.000687084 19
5559 123 C 26.4882 12.7742 40.0046 -0.00372733 0.00070401 -0.000120014 19
5560 124 C 25.7139 12.1834 41.1863 -0.00391116 0.00247401 -0.000473999 19
5561 125 C 26.0215 12.9099 42.4819 -0.00597594 -0.000665039 -0.00282835 19
5562 126 C 25.2063 12.3761 43.6809 -0.00163857 0.000256676 0.000247062 19
5563 127 C 25.7902 12.8351 45.042 -0.000907083 -0.00345781 -0.001334 19
5564 128 C 25.0904 12.181 46.2352 -0.00295564 -0.00079207 0.00109039 19
5565 129 C 26.0087 12.2612 47.4728 0.000234804 -0.00460603 -0.00136209 19
5566 130 F 24.2871 19.2568 24.5184 0.00125487 0.00262438 -0.000202054 19
5567 131 H 25.4678 21.5319 31.1893 -0.00979146 -0.00226885 0.0103468 19
5568 132 H 25.6276 21.249 28.833 0.00278271 -0.00445053 -0.000401545 19
5569 133 H 24.8065 19.3301 27.6795 0.00943198 -0.0112821 -0.00391251 19
5570 134 H 18.6742 16.6892 30.9269 0.00534074 0.00556802 0.00156665 19
5571 135 H 18.9287 16.5008 28.4831 0.00574055 0.00349605 -0.00713231 19
5572 136 H 21.1849 16.8041 27.4564 0.00790251 -0.00230299 0.000167776 19
5573 137 H 25.7296 12.799 31.406 -0.0103241 -0.00380697 -0.00143527 19
5574 138 H 25.7896 12.813 29.0446 -0.00367292 0.00468315 -0.0113951 19
5575 139 H 24.8465 14.7041 27.8033 0.000976537 0.00141376 -0.000527929 19
5576 140 H 27.5825 15.2955 23.5862 -0.00150862 -0.00158168 -0.000780987 19
5577 141 H 26.1078 15.2698 25.6157 -0.000970989 0.00513729 0.00475527 19
5578 142 H 27.6127 12.4781 19.2452 -0.00347371 0.00491687 0.00407895 19
5579 143 H 28.2083 12.3111 16.7792 0.00605143 -0.000908911 0.00874607 19
5580 144 H 27.6721 14.648 20.3795 -0.0043965 -0.00326352 0.00182374 19
5581 145 H 33.3434 17.0792 19.4233 0.00716501 0.00399447 -0.0111174 19
5582 146 H 33.4652 17.024 16.9286 -0.00265779 0.00911571 0.00560581 19
5583 147 H 31.1567 17.1391 20.5485 -0.0125182 -0.00182526 -0.00734349 19
5584 148 H 25.8311 20.9569 18.8777 0.0126174 -0.00283372 0.008031 19
5585 149 H 25.7889 20.7761 16.3844 -0.00633132 -0.00333165 0.0107834 19
5586 150 H 28.9613 16.9916 15.4315 -0.00228379 -0.0013627 -0.00283578 19
5587 151 H 27.0578 19.4033 20.1681 -0.0024625 -0.00637741 -0.00134826 19
5588 152 H 23.3768 17.1287 32.6423 -0.0104534 0.00606316 0.00159477 19
5589 153 H 32.4129 16.0042 14.0275 -0.00225004 -0.0113251 0.00147917 19
5590 154 H 30.9487 15.3405 14.7491 0.00764737 0.00561706 0.0163915 19
5591 155 H 30.6691 17.8365 13.0339 -0.0004613 0.00185126 0.00498692 19
5592 156 H 29.5284 16.4763 13.1366 -0.00341552 0.0149468 -0.0106488 19
5593 157 H 30.9659 15.1553 11.671 -0.0157283 0.00347166 -0.00496673 19
5594 158 H 32.2471 16.3577 11.6652 -0.00213582 0.00348263 -0.00689557 19
5595 159 H 30.5435 17.8904 10.506 -0.00558209 -0.00283779 -0.00547797 19
5596 160 H 29.344 16.5911 10.579 0.00292105 -0.00312887 0.0215126 19
5597 161 H 30.8922 15.1994 9.13149 -0.0134223 0.00516474 0.000390944 19
5598 162 H 32.0212 16.5717 9.06612 0.00165568 0.00595436 0.0063882 19
5599 163 H 30.2471 17.9841 7.98665 0.00576467 -0.00604513 0.00206601 19
5600 164 H 29.0779 16.6075 8.19417 0.00616158 -0.0137719 -0.00174701 19
5601 165 H 29.6998 16.5513 5.91622 0.00150196 0.0010559 -0.00140913 19
5602 166 H 30.5142 15.1986 6.6943 -0.00301056 -4.15291e-05 0.012397 19
5603 167 H 32.6309 16.6522 6.7066 0.00493587 -0.0210553 -0.0145869 19
5604 168 H 31.702 17.9188 5.94863 0.0118437 0.00295137 0.0103092 19
5605 169 H 31.9946 15.1496 4.63799 0.0103815 -0.0033235 0.0049193 19
5606 170 H 33.1109 16.5343 4.35495 -0.00252575 0.00160132 8.54872e-05 19
5607 171 H 31.1472 17.8547 3.56427 0.00706141 -0.000262011 0.00505494 19
5608 172 H 30.176 16.3732 3.68999 0.000487695 -0.000134596 -0.000305922 19
5609 173 H 31.8218 15.2075 2.11604 -0.0125044 -0.00174151 0.00191726 19
5610 174 H 32.5767 16.7745 1.83147 -0.0101853 0.0148547 -0.00406313 19
5611 175 H 31.0633 16.2468 0.032745 0.00242193 0.00413039 0.00214498 19
5612 176 H 30.41 17.6347 0.918029 0.00482413 0.000476181 0.00444487 19
5613 177 H 29.6724 16.0453 1.1297 -0.004192 0.0023322 -0.00570119 19
5614 178 H 29.6811 12.4751 15.109 0.00840285 0.00446789 -0.00342262 19
5615 179 H 28.0781 12.3946 14.5462 -0.00248185 0.0006966 -0.00832868 19
5616 180 H 28.7355 14.1527 12.7551 -0.00260412 -0.00354506 0.000747069 19
5617 181 H 30.3981 13.8291 13.32 0.00207097 -0.00887989 0.0148867 19
5618 182 H 30.1648 11.4859 12.4916 0.00444905 0.00406441 -0.00827926 19
5619 183 H 28.397 11.6978 12.2716 0.00209045 -0.00242955 0.00782141 19
5620 184 H 28.691 13.0456 10.261 0.00401403 -0.00977486 -0.013954 19
5621 185 H 30.3811 13.4068 10.6381 0.00505099 -0.00174861 0.0161355 19
5622 186 H 30.9894 11.0522 10.0858 0.00370968 -0.00519679 -0.00815296 19
5623 187 H 29.2863 10.7443 9.84211 0.00893 -0.0075554 0.00411551 19
5624 188 H 29.1172 12.3723 7.97664 -0.00264055 -0.000447989 0.0106122 19
5625 189 H 30.78 12.9334 8.27789 0.00654098 -0.00797812 0.00285988 19
5626 190 H 31.6016 10.6713 7.78344 -0.00425616 -2.93851e-05 -0.0042297 19
5627 191 H 29.9548 10.1411 7.38749 0.00784969 -0.0052862 -0.00145787 19
5628 192 H 31.6298 12.2965 5.93802 0.0110808 -0.0170026 0.00364067 19
5629 193 H 31.4152 10.6359 5.47168 0.0142772 0.00671496 -0.00675151 19
5630 194 H 28.8249 11.1134 5.52359 0.00533188 -0.00393194 0.00522371 19
5631 195 H 29.3281 12.8246 5.53278 -0.00918661 -0.00024741 -0.00992945 19
5632 196 H 30.1426 10.7165 3.48135 0.00624112 0.00289102 -0.00510779 19
5633 197 H 28.6943 11.7136 3.33576 0.000571229 -0.0145643 0.000721489 19
5634 198 H 30.2155 13.7802 3.4086 -0.00915748 -0.00483064 0.00672213 19
5635 199 H 31.588 12.7217 3.52125 -0.00629579 0.00588581 0.00723113 19
5636 200 H 31.4425 13.326 1.17675 0.00301 -0.00208912 0.00458176 19
5637 201 H 30.7989 11.6772 1.23665 0.000781171 -0.000243282 -0.00226483 19
5638 202 H 29.6804 13.0293 1.14385 -0.0042564 0.00648162 0.00699678 19
5639 203 H 28.7063 18.4607 13.731 0.00173788 -0.00475853 0.00660091 19
5640 204 H 27.1635 17.5189 13.9336 0.0103728 -0.00331441 -0.00136503 19
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5642 206 H 27.6746 20.2058 12.5795 -0.00831589 0.00257577 -0.000608455 19
5643 207 H 28.2845 18.5757 10.8939 0.00437254 0.00387517 0.00982451 19
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5646 210 H 26.5309 20.4085 10.2339 0.0119936 -0.00404882 0.0116148 19
5647 211 H 26.5665 17.7883 8.68668 -0.00950584 -0.00533035 0.0131081 19
5648 212 H 25.562 19.1234 8.14798 0.000802175 -0.0108177 0.00260319 19
5649 213 H 27.5724 20.5708 7.98381 0.0104223 0.00199275 -0.00135719 19
5650 214 H 28.5975 19.2531 8.51786 0.00267152 0.00776528 -0.00493134 19
5651 215 H 28.8028 19.1624 6.13421 0.00214636 -0.00929079 0.00328053 19
5652 216 H 27.7203 17.8577 6.49333 -0.00886905 -0.000921369 -0.00690905 19
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5655 219 H 26.4798 20.1976 3.57237 -0.00149563 -0.00570442 0.000671776 19
5656 220 H 27.8705 20.7994 4.28104 0.0123403 -0.00613812 0.00153594 19
5657 221 H 28.9711 19.3425 2.95774 0.0061557 0.00785678 0.02035 19
5658 222 H 28.605 18.1169 4.14859 -0.00192205 0.00817853 0.00556899 19
5659 223 H 27.9474 17.151 2.06412 -0.00453835 -0.00546199 0.0116754 19
5660 224 H 26.4003 17.7777 2.75635 -0.00236303 0.00850117 -0.00302318 19
5661 225 H 26.2464 18.4578 0.503488 0.0018436 -0.00119983 -0.000502512 19
5662 226 H 26.8422 19.9318 1.33669 -0.00452013 0.00712392 -0.0122682 19
5663 227 H 27.9813 18.8957 0.470806 -0.00173413 0.0134868 0.00155185 19
5664 228 H 18.5599 17.5863 32.8306 -0.00711813 -0.0005596 0.00310198 19
5665 229 H 19.0478 15.8681 33.2742 -0.00187827 0.000679354 0.0142637 19
5666 230 H 20.0151 16.7728 35.3714 0.0017942 0.00246944 0.00204023 19
5667 231 H 19.47 18.3965 34.8955 -0.0136809 0.0029502 0.0166228 19
5668 232 H 17.1758 17.8483 34.9281 0.00870402 0.00196135 -0.00517489 19
5669 233 H 17.4809 16.1454 35.2012 0.0023247 0.00413467 -0.00556906 19
5670 234 H 18.0368 18.4229 37.2235 0.00234337 -0.000869906 -0.00479487 19
5671 235 H 16.6703 17.3853 37.1758 0.00172363 -0.0112648 0.0120092 19
5672 236 H 18.3391 15.3533 37.3736 -0.00993379 0.00148508 -0.00203384 19
5673 237 H 19.5758 16.5597 37.7395 0.0048781 -0.00864808 0.00789258 19
5674 238 H 17.256 15.6992 39.4238 0.0105412 -0.0124037 0.00984296 19
5675 239 H 18.9719 15.6329 39.7845 -0.0117493 -0.00433142 0.0128261 19
5676 240 H 18.7077 18.3182 39.4934 -0.00809867 0.00887288 0.00463334 19
5677 241 H 17.0414 18.0101 39.9026 0.00078221 -0.00234297 0.00413141 19
5678 242 H 19.4227 17.1737 41.6022 -0.000897578 -0.00511633 0.00598183 19
5679 243 H 18.4926 18.6836 41.7963 -0.013735 -0.00144544 0.0110635 19
5680 244 H 16.4412 17.1052 42.2936 0.00234937 -0.00988199 -0.0119875 19
5681 245 H 17.6685 15.8571 42.3791 -0.00346254 -0.00125854 -0.00185027 19
5682 246 H 18.9478 17.0673 44.1598 -0.00315967 -0.0109656 0.00756276 19
5683 247 H 17.8404 18.4612 43.9928 -0.00940368 -0.00344787 -0.0180101 19
5684 248 H 15.9602 16.8187 44.7514 0.00312235 0.00540413 -0.00835724 19
5685 249 H 17.269 15.7062 45.1812 0.0120834 -0.000878809 0.00750445 19
5686 250 H 18.2567 17.2854 46.827 -0.000453077 -0.0196186 -0.00223355 19
5687 251 H 17.0604 18.5295 46.2884 0.00367222 -0.00252696 -0.0118745 19
5688 252 H 16.5149 17.1186 47.1674 -0.00209893 0.00418965 0.00162881 19
5689 253 H 26.5191 20.315 33.4754 -0.000664306 0.00223678 -0.0102975 19
5690 254 H 25.4688 21.7173 33.2391 0.000363087 0.00092259 -0.00514875 19
5691 255 H 24.1796 20.7683 35.3295 -0.00168969 0.00012625 0.00473325 19
5692 256 H 25.7051 19.9115 35.6044 -0.018578 -0.0244828 -0.0160679 19
5693 257 H 26.9222 22.1373 35.4078 -0.00382118 0.00480765 -0.00778354 19
5694 258 H 25.262 22.827 35.501 -0.00569818 -0.00639014 -0.00582508 19
5695 259 H 26.8483 21.3256 37.7098 -0.000548274 0.00264401 0.00663753 19
5696 260 H 26.2631 22.953 37.7478 0.00491561 -0.000946923 0.00281778 19
5697 261 H 23.893 21.5628 37.4689 0.00218983 0.00118311 0.00275005 19
5698 262 H 24.8612 20.2759 38.0297 0.00581951 0.000502358 0.0109904 19
5699 263 H 24.5889 22.9585 39.4428 -0.0167226 -0.00286036 -0.00527812 19
5700 264 H 23.474 21.5781 39.759 -0.00249771 -0.00273628 -0.00175153 19
5701 265 H 25.4063 20.3103 40.6848 0.00874115 0.000790216 -0.000569487 19
5702 266 H 26.4874 21.6613 40.334 -0.000687134 -0.00388394 -0.00515457 19
5703 267 H 24.9941 23.1242 41.8741 0.00812728 -0.00342302 0.0157854 19
5704 268 H 23.8694 21.7618 42.0466 0.000255249 0.00482011 -0.00228916 19
5705 269 H 25.6739 20.4497 43.1924 -0.0144448 0.000381639 0.00377541 19
5706 270 H 26.7543 21.8419 43.0417 -0.00572524 0.00979726 0.00215753 19
5707 271 H 25.0942 23.1542 44.4441 -0.0211862 -0.000388984 -0.00927416 19
5708 272 H 24.0097 21.8028 44.4234 0.00204941 -0.0114528 0.00480947 19
5709 273 H 25.894 20.4941 45.7214 -0.00383119 -0.0031539 0.00262446 19
5710 274 H 26.8191 21.9277 45.6403 -0.000586162 0.000163751 -0.00511981 19
5711 275 H 24.0356 21.9474 46.9234 0.00356977 -0.0184899 0.0011507 19
5712 276 H 25.5337 21.6202 47.8465 0.0153336 -0.00843612 -0.0132348 19
5713 277 H 25.3729 23.2055 47.0714 -0.00566076 0.00217173 -0.000275666 19
5714 278 H 24.2034 12.6358 33.6787 -0.00190367 -0.000805542 -0.00109789 19
5715 279 H 25.8822 12.9492 33.4693 5.92652e-06 0.00524867 0.00324349 19
5716 280 H 24.41 14.5194 35.6437 -0.00273029 -0.000750405 -0.00399861 19
5717 281 H 26.1451 14.4117 35.3023 -0.00240023 -0.00246012 0.00846997 19
5718 282 H 26.0971 11.9675 35.8814 0.000700779 0.00784429 -0.0127786 19
5719 283 H 24.3765 12.196 36.3553 0.000950827 -0.000199305 0.0170881 19
5720 284 H 25.0642 13.9681 37.9975 0.000368172 0.00675167 -0.0158729 19
5721 285 H 26.7192 13.8187 37.5006 -0.00115703 -0.00185133 0.0129627 19
5722 286 H 26.7326 11.4008 38.3317 0.00260007 -0.000894532 0.00692398 19
5723 287 H 25.0552 11.6407 38.7461 -0.000711335 0.00800828 -0.0128366 19
5724 288 H 26.3721 13.8649 40.0186 0.00144409 0.00114751 0.00870391 19
5725 289 H 27.5651 12.5755 40.0693 -0.00499981 -0.00241388 0.0112875 19
5726 290 H 25.9418 11.1117 41.2405 -0.00705249 0.00186756 0.000785114 19
5727 291 H 24.625 12.23 41.0618 -0.0021156 0.00168823 -0.0163201 19
5728 292 H 25.8612 13.9876 42.3543 0.0102522 0.000729582 -0.0117077 19
5729 293 H 27.0886 12.8752 42.7342 -0.00313405 0.00772108 -0.0136717 19
5730 294 H 25.2959 11.2834 43.6431 -0.00715878 -0.000524911 0.0098933 19
5731 295 H 24.1373 12.6152 43.6212 -0.00278937 -0.00238431 0.0100866 19
5732 296 H 25.6737 13.9209 45.1462 -0.00231563 -0.00320506 -0.00553889 19
5733 297 H 26.8576 12.5822 45.0303 -0.000421758 -0.00150048 0.000992143 19
5734 298 H 24.9622 11.1176 45.9984 0.00103843 -0.000865495 -0.000783554 19
5735 299 H 24.1242 12.6732 46.4018 -0.000872433 0.00345895 0.000633596 19
5736 300 H 26.8999 11.6305 47.3656 -0.00162293 -0.0074644 6.37859e-06 19
5737 301 H 25.4301 11.9155 48.3384 -0.00277566 0.00280313 -0.000408904 19
5738 302 H 26.3235 13.2909 47.6822 -0.0262015 0.00456979 -0.00666864 19
5739 1 C 29.1238 27.408 31.6505 0.00115466 -0.00145718 0.00354885 20
5740 2 C 29.4814 27.3296 30.2942 0.0033538 -0.00261811 0.00540485 20
5741 3 C 29.0268 26.2834 29.5187 0.000765293 0.000681294 0.000652714 20
5742 4 C 28.3202 25.2155 30.1302 -0.0017517 -0.00120961 -0.00163312 20
5743 5 C 28.0123 25.2474 31.5024 -0.00639154 -0.000575481 0.00584017 20
5744 6 C 28.3989 26.3876 32.278 0.00185524 0.000620081 0.000171129 20
5745 7 C 23.5632 24.079 30.69 0.00147952 0.000254331 -0.00356474 20
5746 8 C 23.8156 24.0602 29.3297 0.00226544 -0.0021064 0.00102195 20
5747 9 C 25.1366 24.1075 28.8156 0.00318169 4.33634e-06 -0.0038847 20
5748 10 C 26.197 24.0028 29.7377 -0.00296445 0.00130557 -0.00161159 20
5749 11 C 25.9571 23.9596 31.1177 0.00199668 0.00198243 -0.00147052 20
5750 12 C 24.6581 24.0264 31.5924 -0.00116408 0.000433195 -0.00141541 20
5751 13 C 29.1886 20.558 31.3403 -0.00196768 -0.000156229 0.00228072 20
5752 14 C 29.288 20.6155 29.9438 -0.00132544 0.00368957 -5.89205e-06 20
5753 15 C 28.8643 21.7322 29.2767 -0.00592519 0.00164716 0.00406888 20
5754 16 C 28.2695 22.764 29.9923 -0.00589835 0.00303129 -0.00115952 20
5755 17 C 27.6937 24.0177 29.347 -0.00227583 -0.000490713 0.00399717 20
5756 18 O 28.62 21.5425 33.5217 0.00247156 0.00196474 -0.00125346 20
5757 19 O 24.3818 24.081 32.9366 -0.00154901 -0.00263618 0.00374492 20
5758 20 O 28.1552 26.5152 33.6445 0.00334399 -0.000293847 0.00225021 20
5759 21 C 28.6143 21.599 32.0964 -0.00237037 0.000380424 -0.000825897 20
5760 22 C 28.0112 24.0781 27.8931 -0.00137655 -0.000328954 0.00214227 20
5761 23 C 28.4859 24.1195 26.7822 0.000610611 9.93305e-05 -0.00369897 20
5762 24 C 29.2656 24.067 25.5856 0.00136469 0.00260903 -0.0023573 20
5763 25 C 29.1143 22.9394 24.7421 -0.00258493 -0.00228023 0.000304392 20
5764 26 C 29.894 22.9067 23.5445 0.000663962 -0.000134421 -0.00187966 20
5765 27 C 30.884 23.8484 23.2956 -0.00597517 0.000556158 -0.00312427 20
5766 28 C 31.0176 24.9384 24.1881 0.00129826 0.00147615 -0.00368619 20
5767 29 C 30.1967 25.054 25.3184 1.4432e-05 0.000238343 0.000695842 20
5768 30 C 31.6468 23.8337 22.0525 0.0029657 0.0019132 0.00095715 20
5769 31 C 32.1575 23.8612 20.9475 -0.000189122 -0.00573288 0.00296558 20
5770 32 C 30.6248 20.6376 18.5715 -0.000288073 0.00272238 0.00419635 20
5771 33 C 30.7709 20.6859 17.171 0.00455785 0.000503223 9.59502e-05 20
5772 34 C 31.4158 21.7874 16.568 0.0021776 -0.00389609 6.80519e-05 20
5773 35 C 31.993 22.7931 17.3694 0.00371872 -0.000530669 0.00218829 20
5774 36 C 31.8179 22.7527 18.7672 -0.00489326 -0.00268244 -0.00318439 20
5775 37 C 31.1578 21.6573 19.3657 0.00288172 6.88627e-05 0.00681678 20
5776 38 C 32.4917 23.8704 19.5161 0.00298078 -0.00329345 0.000413273 20
5777 39 C 36.3658 23.4848 19.4109 -0.00100235 -0.00581949 0.0034194 20
5778 40 C 36.5771 23.5421 18.0268 0.00322416 -0.00182457 -0.00297235 20
5779 41 C 35.5001 23.7066 17.1547 0.000642513 0.00307367 -0.001141 20
5780 42 C 34.2031 23.7297 17.7079 0.00289837 0.00280407 0.0011059 20
5781 43 C 33.9999 23.7295 19.1015 -0.000756992 -0.00351774 0.00374085 20
5782 44 C 35.0781 23.552 19.9677 -0.00285517 -0.00554493 0.000770339 20
5783 45 C 31.3812 27.4856 18.7519 0.00407215 -0.00220876 -0.00333633 20
5784 46 C 31.824 27.5378 17.4203 0.00273223 0.0017591 -0.000700286 20
5785 47 C 32.3506 26.4158 16.7437 7.97786e-05 -0.00169512 0.00176183 20
5786 48 C 32.3885 25.2168 17.4457 0.00018419 -0.00227848 0.00398979 20
5787 49 C 32.9507 23.8989 16.9098 0.00240769 -0.00499767 -0.00671643 20
5788 50 C 32.0472 25.1434 18.7861 0.00366094 -0.001374 0.00125524 20
5789 51 C 31.4691 26.2587 19.4123 0.000120795 -0.00338381 0.00222989 20
5790 52 O 35.7485 23.962 15.8228 0.000662061 -0.00144182 0.0017188 20
5791 53 O 31.6045 21.787 15.1864 -0.00261429 -0.00505071 9.94959e-05 20
5792 54 O 32.7461 26.4525 15.3975 -1.88586e-05 0.00313855 -0.00248312 20
5793 55 C 27.2742 23.9634 31.9664 0.00421461 0.0017718 0.00636322 20
5794 56 C 28.0846 22.738 31.3959 0.00499834 0.00120938 -0.00237133 20
5795 57 C 36.2364 22.879 14.99 -0.00205476 -0.000409133 0.00116433 20
5796 58 C 35.0824 22.2572 14.1604 -0.00230929 -0.00302703 -0.00121961 20
5797 59 C 34.973 22.6036 12.6728 -0.00323833 -0.00151547 0.00184701 20
5798 60 C 34.0277 23.756 12.3505 -0.00378715 -0.00233733 -0.000706387 20
5799 61 C 33.531 23.7386 10.8798 -0.00201589 -3.07667e-05 -0.00186087 20
5800 62 C 34.5256 23.4511 9.73799 -0.000208378 0.00621381 0.00160342 20
5801 63 C 33.7952 23.474 8.4081 0.00153233 0.00173879 0.00426858 20
5802 64 C 34.7587 23.4106 7.22345 0.00232595 0.00122263 -0.00137634 20
5803 65 C 34.0082 23.3845 5.9045 -0.00177174 -0.000443707 0.00309346 20
5804 66 C 34.8892 23.2745 4.67365 -0.00378671 0.00434677 -0.00215305 20
5805 67 C 34.136 23.5438 3.35155 -0.0050818 0.000647175 0.0016621 20
5806 68 C 34.9667 23.5397 2.05847 -0.0022645 0.000753331 -0.00154231 20
5807 69 F 29.6685 21.954 22.5898 -0.00207637 -0.00103281 0.000562859 20
5808 70 C 31.1146 20.7431 14.3614 -0.000367586 0.00320254 -0.001036 20
5809 71 C 31.2425 21.321 12.9402 -0.00527128 0.00158367 -0.00112183 20
5810 72 C 30.5945 20.3913 11.9179 0.0034448 -0.00296391 -0.000278746 20
5811 73 C 30.0585 21.1149 10.6785 -0.00073752 -0.00156066 0.00148269 20
5812 74 C 30.9505 20.8694 9.4749 0.000775479 -0.00341152 0.00191022 20
5813 75 C 30.4874 21.6133 8.21102 -0.000374998 0.00314257 -0.00108385 20
5814 76 C 31.0657 21.0623 6.92531 0.000955705 -0.00184832 -0.000142145 20
5815 77 C 30.5861 21.7858 5.6771 -0.000773327 0.00106973 -0.00289849 20
5816 78 C 31.103 21.1517 4.37063 0.000792672 -0.00310154 0.000805865 20
5817 79 C 30.6689 22.006 3.12321 -0.00303623 0.000219766 0.00610102 20
5818 80 C 31.2699 21.6108 1.73443 0.00652625 -0.001911 0.00080695 20
5819 81 C 30.6795 20.3398 1.15312 -0.00189873 0.00313086 0.00195197 20
5820 82 C 32.878 27.6592 14.654 -0.00247406 0.00359463 -0.00628078 20
5821 83 C 33.3002 27.3313 13.2257 0.00269213 0.00154315 -0.00213664 20
5822 84 C 33.6074 28.6255 12.5054 -0.00516796 0.00491713 -0.000345371 20
5823 85 C 33.6252 28.4553 10.9578 0.00113505 -0.000878033 -0.000908572 20
5824 86 C 34.7134 27.541 10.3893 0.0026046 -0.00223312 0.00289767 20
5825 87 C 34.281 26.9799 9.01199 7.33304e-05 -0.00221692 -0.00226863 20
5826 88 C 34.2301 28.0393 7.83924 0.00268087 -0.00386022 -0.00182389 20
5827 89 C 33.1851 27.5387 6.82923 0.000644239 -0.0020898 -0.00187861 20
5828 90 C 33.4013 28.1063 5.41676 -0.00166935 0.00192129 0.00346939 20
5829 91 C 34.6081 27.4937 4.712 0.00231331 0.00265787 -0.00610392 20
5830 92 C 34.4635 27.359 3.20132 0.00746896 0.00219734 0.000378215 20
5831 93 C 34.5093 28.692 2.44196 0.000291742 -0.00360214 0.00315062 20
5832 94 C 23.2592 23.4076 33.4995 0.00223981 -0.00135238 -0.00193003 20
5833 95 C 23.021 24.1241 34.8505 0.00371512 -0.00168715 0.000451342 20
5834 96 C 22.1988 23.3289 35.8543 -0.00228784 0.000763918 -0.00034697 20
5835 97 C 22.2542 23.9276 37.2985 0.00165014 -0.00391009 -3.11395e-05 20
5836 98 C 21.1444 23.4137 38.1975 0.00396826 -0.00112874 -0.00251069 20
5837 99 C 21.0497 24.1847 39.5165 0.000468232 -0.00172718 0.000366862 20
5838 100 C 21.9345 23.6388 40.6772 -1.93654e-06 -0.00302483 -0.00301242 20
5839 101 C 21.481 24.277 41.9886 0.00162515 0.00134948 -0.00220544 20
5840 102 C 22.1915 23.7497 43.2417 -0.00310574 -0.000117004 -0.000494734 20
5841 103 C 21.5693 24.3316 44.5383 0.000151797 -0.0019779 0.0040861 20
5842 104 C 22.304 23.9111 45.7872 -0.000750078 0.00135623 0.0025764 20
5843 105 C 21.7302 24.5655 47.0375 0.00331334 0.0013127 -0.00155658 20
5844 106 C 28.7254 27.6065 34.3685 -0.00336411 -0.000107902 -0.00295266 20
5845 107 C 28.3362 27.5931 35.8632 -0.00143843 -0.00313475 -0.00415815 20
5846 108 C 29.5074 27.9184 36.8225 -0.00258765 -0.00175165 0.00229648 20
5847 109 C 29.1574 28.017 38.3138 -4.27925e-05 -0.00219469 -8.19001e-05 20
5848 110 C 30.3899 28.2829 39.1831 -0.000721569 0.000663812 -3.12023e-05 20
5849 111 C 30.3311 27.7451 40.6369 0.00247324 -0.00201569 -0.00305531 20
5850 112 C 29.3302 28.492 41.5181 -0.00109683 0.000473769 -0.000870828 20
5851 113 C 29.2241 27.8274 42.9174 -0.00354525 0.00230978 0.00704369 20
5852 114 C 30.224 28.4511 43.9295 -0.0031831 -0.00122884 0.00257395 20
5853 115 C 29.9082 27.952 45.3647 0.000982865 -0.00110301 -0.000499446 20
5854 116 C 30.5577 28.7904 46.5141 8.73554e-05 0.00215743 1.45214e-05 20
5855 117 C 29.8093 30.158 46.7483 -0.00276494 0.00292848 0.00225848 20
5856 118 C 29.164 20.3553 34.1543 0.00712956 -0.00199015 -0.000259639 20
5857 119 C 29.1509 20.4327 35.6713 -0.00195381 -0.00126933 -0.00154616 20
5858 120 C 29.681 19.1243 36.2765 0.00228539 0.00119484 -0.000872802 20
5859 121 C 30.1699 19.2492 37.7441 -0.00193616 0.00307297 -5.11053e-06 20
5860 122 C 29.2583 19.9111 38.8185 0.00281923 0.00120762 -0.00138909 20
5861 123 C 29.6858 19.3124 40.1624 -0.00583158 -0.00226351 -0.00714384 20
5862 124 C 28.9908 19.9781 41.3566 0.000384004 -0.000960929 -0.000984965 20
5863 125 C 29.4468 19.2515 42.628 0.00226781 -0.00118902 0.00122821 20
5864 126 C 28.6464 19.6737 43.8516 0.00162722 0.00582271 -0.00463125 20
5865 127 C 29.271 19.0168 45.1012 -0.0046455 0.00381837 -0.000172029 20
5866 128 C 28.5706 19.3703 46.4319 -0.000692124 0.00526066 -0.000613766 20
5867 129 C 29.5255 18.982 47.56 -0.0019962 -0.0036753 0.00489847 20
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5889 151 H 31.2138 26.2762 20.4677 0.00851556 0.00766694 0.0041003 20
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5905 167 H 35.4352 22.5476 7.25625 -0.0111492 -0.00961863 -0.00879602 20
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5918 180 H 30.6876 22.2672 12.9572 0.0086472 0.00971775 3.83078e-05 20
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5937 199 H 32.3608 21.5075 1.78697 0.0066414 0.00388787 0.00985673 20
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5944 206 H 32.4838 26.776 12.7476 0.000600455 0.00025437 0.00291511 20
5945 207 H 32.8245 29.3644 12.7161 0.0112752 0.0215532 0.00229772 20
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5947 209 H 32.6308 28.0568 10.7217 -0.00142844 -0.0035395 0.0142236 20
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5950 212 H 34.8344 26.6365 10.998 0.00987781 0.00320885 0.00949091 20
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5953 215 H 33.8842 29.0119 8.21055 0.000941817 -0.00988086 0.0123243 20
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5957 219 H 32.5012 27.7839 4.87893 0.00429193 -0.000619672 -0.00496587 20
5958 220 H 33.3931 29.2022 5.3673 -0.00626742 0.00169137 -0.00102018 20
5959 221 H 35.4951 28.0733 4.99602 0.00213791 -0.00182764 0.00366628 20
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5961 223 H 35.2541 26.7081 2.80805 -0.000413264 -0.00256302 -0.00758805 20
5962 224 H 33.4958 26.8808 3.00585 0.00299623 0.0111398 0.000589095 20
5963 225 H 34.5986 28.4795 1.36946 -0.00291421 -0.0022315 0.00261456 20
5964 226 H 33.5636 29.2164 2.62641 0.00658374 0.00700611 0.00517021 20
5965 227 H 35.366 29.322 2.71121 -0.00793808 0.00640673 0.00590885 20
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5967 229 H 23.5206 22.3485 33.6151 0.0100764 -0.000765347 -0.0141241 20
5968 230 H 23.9667 24.4293 35.315 0.00682653 -0.00708719 -0.00235098 20
5969 231 H 22.4742 25.0613 34.6896 -0.0094315 -0.00804277 0.00805288 20
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5971 233 H 22.581 22.3007 35.8499 0.0081009 0.00458719 0.0106838 20
5972 234 H 23.2216 23.7754 37.7928 -0.00998886 -0.0139365 0.0197073 20
5973 235 H 22.109 25.0123 37.2227 0.00357563 -0.00365709 -9.67536e-05 20
5974 236 H 20.2063 23.5124 37.6374 -0.000319568 -0.000465468 0.00480289 20
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5977 239 H 20.0397 24.0394 39.9193 0.00342735 0.00109432 0.00884953 20
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5981 243 H 20.4228 24.0212 42.1237 0.00428355 -0.0059931 0.00480794 20
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5984 246 H 21.5223 25.4187 44.3988 0.0122062 -0.00171217 0.00207399 20
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5989 251 H 22.3008 24.291 47.9333 0.00947454 0.00902486 -0.00312219 20
5990 252 H 21.7769 25.6521 46.8945 -0.00766465 0.00272023 0.00564336 20
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5992 254 H 28.3873 28.5161 33.8568 -0.00390974 -0.00230817 -0.00652869 20
5993 255 H 27.5696 28.3583 36.0371 0.000172878 -0.000800861 -0.00731912 20
5994 256 H 27.9275 26.6233 36.173 0.0140694 -0.00363595 0.0148574 20
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5997 259 H 28.3826 28.7617 38.5342 -0.00120894 -0.00416037 0.00248261 20
5998 260 H 28.7576 27.0527 38.651 -0.00444824 0.00268276 0.00866662 20
5999 261 H 31.318 27.9105 38.7321 0.000799685 0.0011664 0.0026718 20
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6001 263 H 30.0729 26.6794 40.6059 -0.0133769 0.00158487 0.00496616 20
6002 264 H 31.3069 27.8511 41.1269 0.00546389 0.0109644 -0.011812 20
6003 265 H 29.6389 29.5402 41.6157 -6.03047e-05 -0.000716306 0.0086511 20
6004 266 H 28.32 28.5077 41.0908 -0.00504804 -0.00388078 0.00827701 20
6005 267 H 28.2377 28.0476 43.3439 -0.00420327 0.00119788 0.00608926 20
6006 268 H 29.3399 26.7367 42.9361 -0.00450051 0.00202259 -0.00541662 20
6007 269 H 31.2556 28.2467 43.6173 -0.00485528 -0.00376626 -0.0013105 20
6008 270 H 30.0241 29.5289 43.9737 0.00648362 0.00102476 -0.00971859 20
6009 271 H 28.8192 27.8973 45.4854 0.00243076 0.00512843 0.0151278 20
6010 272 H 30.2367 26.9085 45.4453 -0.00814121 -0.0030255 0.0119437 20
6011 273 H 30.4691 28.2361 47.4566 0.00759328 0.000348218 -0.000345172 20
6012 274 H 31.6236 28.9742 46.3312 0.00178746 -0.00565936 0.00209026 20
6013 275 H 28.7626 29.9392 46.9933 -0.00372367 0.0240329 0.016879 20
6014 276 H 30.2826 30.7094 47.5702 -0.01918 -0.0051194 0.0171034 20
6015 277 H 29.8254 30.7703 45.8382 0.0177336 0.00706642 0.00540501 20
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6017 279 H 30.1888 20.2259 33.7848 0.00114374 0.00560079 -0.0196264 20
6018 280 H 28.1398 20.6127 36.0568 0.000421916 0.00184739 0.00322202 20
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6023 285 H 30.4606 18.2368 38.0506 -0.022226 0.00139344 0.0136104 20
6024 286 H 28.1992 19.7472 38.5841 -0.00479859 0.0196838 0.0202456 20
6025 287 H 29.4396 20.9912 38.7554 -0.00360767 0.0021648 -0.00346188 20
6026 288 H 30.7753 19.3834 40.2692 -0.0069092 0.00106216 0.00156191 20
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6029 291 H 29.181 21.0503 41.4895 -0.00465245 0.000542698 -0.0059566 20
6030 292 H 30.5186 19.4009 42.8078 0.0016568 -0.0112468 0.0133435 20
6031 293 H 29.36 18.1638 42.5152 -0.00552175 -0.00111426 0.00652295 20
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6033 295 H 28.7098 20.7624 43.9701 0.000911585 0.00595949 -0.0055161 20
6034 296 H 30.321 19.3335 45.1248 -0.00584696 0.00707627 0.00884735 20
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6037 299 H 28.4299 20.4549 46.5179 -0.00876254 0.00336608 0.0101133 20
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6042 2 C 33.3206 20.1018 29.2457 -0.0012288 -0.00280955 -0.00269522 21
6043 3 C 32.7228 19.0506 28.6025 -0.00335632 0.00354443 -1.81199e-05 21
6044 4 C 32.0209 18.1395 29.388 -0.00244927 -9.74708e-05 0.00513859 21
6045 5 C 31.9043 18.2814 30.7837 -0.00128264 0.00281065 -0.00416233 21
6046 6 C 32.5107 19.3853 31.427 -6.77005e-05 -0.0017017 -0.00124034 21
6047 7 C 27.2987 17.34 30.359 -0.00211713 0.000996823 -0.00303247 21
6048 8 C 27.4881 17.2947 28.972 -0.00122929 -0.00394859 -0.00091722 21
6049 9 C 28.767 17.1268 28.4256 0.00119433 0.0011298 0.00172957 21
6050 10 C 29.8632 17.0755 29.3043 -0.00107479 0.000761593 -0.00124375 21
6051 11 C 29.7093 17.2201 30.6876 -0.00224111 0.00103325 -0.0060942 21
6052 12 C 28.4058 17.3235 31.2514 -0.000564248 -0.000491926 -0.001472 21
6053 13 C 32.9465 13.7796 31.2142 0.00319635 -0.00213905 0.000431059 21
6054 14 C 33.0771 13.6711 29.8275 -0.00139008 -0.00423591 0.000253138 21
6055 15 C 32.5017 14.6259 29.0075 0.00104335 0.00147785 0.00429152 21
6056 16 C 31.8864 15.7509 29.5904 -0.00655163 0.00148004 -0.000761671 21
6057 17 C 31.31 16.9037 28.7978 0.00343365 -0.003202 -0.000586602 21
6058 18 O 32.1143 15.0013 33.1616 0.0010074 0.000579602 0.00155373 21
6059 19 O 28.2028 17.3222 32.6423 -0.00150292 -0.00225745 -0.00279264 21
6060 20 O 32.3679 19.6269 32.7899 -0.00186224 -0.00244639 -0.00226016 21
6061 21 C 32.2715 14.8871 31.8152 0.00311513 -0.00162801 -0.000745987 21
6062 22 C 31.6383 16.7685 27.3775 0.00161359 -0.000659227 -0.00244832 21
6063 23 C 32.164 16.7002 26.3014 -0.00324346 -0.00300991 -0.00414885 21
6064 24 C 32.9869 16.7211 25.1198 0.00139556 -0.000544221 0.00263908 21
6065 25 C 34.205 16.0099 25.1223 0.00105286 -0.00132683 -0.000435174 21
6066 26 C 35.0833 16.1544 24.0796 -0.00156599 -0.00199012 0.0015302 21
6067 27 C 34.723 17.0447 23.0228 0.000940129 -0.00102153 -0.00283328 21
6068 28 C 33.4868 17.6812 22.9753 -0.000871891 0.00120866 -0.00527162 21
6069 29 C 32.6422 17.561 24.046 -0.000680862 0.00494771 -0.00251613 21
6070 30 C 35.5565 17.1731 21.8904 -0.0012154 -0.00301126 0.000334172 21
6071 31 C 36.0429 17.1683 20.777 -0.00178337 0.000298304 -0.000753596 21
6072 32 C 34.8606 13.5739 18.7422 0.000356396 0.00178862 -0.00116372 21
6073 33 C 35.0918 13.4779 17.3472 0.000611648 0.00103892 -0.00120431 21
6074 34 C 35.6686 14.5874 16.6553 -0.00139784 -0.00174015 -0.00120342 21
6075 35 C 35.9722 15.7988 17.3647 -0.00169652 -0.000611745 -1.41265e-05 21
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6132 92 C 34.9498 18.5689 2.43504 0.00347321 -8.64268e-05 0.00513929 21
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6139 99 C 26.4138 17.8295 39.211 -0.00656034 -0.00123697 -0.00069366 21
6140 100 C 25.5757 16.7166 39.854 0.000158533 0.00094934 0.00410662 21
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6149 109 C 33.0226 22.4363 36.8956 0.0022056 9.6607e-05 -0.00157166 21
6150 110 C 33.6114 21.6558 38.0901 -0.00330776 0.00204957 -0.00221021 21
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6152 112 C 33.6305 21.3075 40.551 -0.00179192 0.00286394 0.0015105 21
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6154 114 C 33.6971 21.2414 43.1474 -0.000159482 0.00113944 0.00168141 21
6155 115 C 32.8501 21.3846 44.4323 -0.00169545 -0.00136944 0.003846 21
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6159 119 C 33.6536 13.5711 34.5007 1.65672e-05 -0.00291348 0.0029817 21
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6163 123 C 32.8709 13.0918 39.5937 -0.000531139 0.00211225 0.00221534 21
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6169 129 C 32.3189 12.8763 47.1652 -0.000617373 -0.00326976 -0.000251627 21
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6189 149 H 33.9482 20.8487 16.2583 -0.00177059 0.00355696 6.41347e-05 21
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6292 252 H 25.8764 16.2573 46.6597 0.0010523 0.00546495 -0.000983514 21
6293 253 H 34.1637 20.7117 33.1054 0.00795902 -0.00607753 0.00418301 21
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6302 262 H 34.6133 22.074 38.2475 -0.00229063 -0.00227004 0.00272786 21
6303 263 H 32.5165 22.8431 39.4839 0.00453241 -0.00169622 0.00717388 21
6304 264 H 31.8781 21.1894 39.2811 0.00648525 -0.0143971 0.00993389 21
6305 265 H 33.9219 20.2545 40.4524 -0.000268614 0.00306882 0.00382048 21
6306 266 H 34.5166 21.9541 40.5551 -0.00571655 0.00826379 0.00153961 21
6307 267 H 32.5449 22.5811 41.9132 0.00551136 -9.12649e-05 0.00072672 21
6308 268 H 31.9521 20.9347 41.8248 -0.0130209 0.0183024 -0.00783384 21
6309 269 H 34.1052 20.2233 43.1668 0.00103813 0.00177457 0.0107756 21
6310 270 H 34.5695 21.9056 43.1827 -0.00209187 0.00374877 0.000246555 21
6311 271 H 32.1305 22.2017 44.2986 -0.00015981 -0.000456665 0.00119511 21
6312 272 H 32.195 20.5295 44.6397 -0.000348836 -0.00537587 -0.00854304 21
6313 273 H 34.5722 22.1664 45.4566 0.005771 -0.00464851 0.00560327 21
6314 274 H 33.0744 22.5589 46.2481 0.00758488 0.00564577 -0.00125103 21
6315 275 H 34.2202 19.7123 46.1903 -0.0132106 -0.00406132 -0.000575345 21
6316 276 H 34.3668 20.8967 47.5487 -0.00686437 0.0019348 0.00481405 21
6317 277 H 32.7578 20.2568 46.9821 0.0047187 -0.00688236 0.00906076 21
6318 278 H 31.629 14.2266 35.0076 0.00522901 0.0197118 -0.00718655 21
6319 279 H 31.7904 13.0281 33.6195 -0.0106064 -0.00776682 0.0148045 21
6320 280 H 34.2562 14.4878 34.4991 0.00941004 -0.00909983 -0.00483489 21
6321 281 H 34.0258 12.9651 33.6654 -0.00499597 -0.00310162 0.000874185 21
6322 282 H 34.8909 12.5501 36.0059 -0.000922418 -0.00601895 0.0120219 21
6323 283 H 33.4852 11.675 35.6284 -0.00340538 0.000166139 0.00313572 21
6324 284 H 32.0546 13.018 37.1203 -0.00223325 0.00269223 -0.0168773 21
6325 285 H 33.1031 14.3765 37.0041 0.0186358 0.0028433 0.00311276 21
6326 286 H 34.6291 13.4158 38.5336 -0.00661646 0.0088639 0.0101617 21
6327 287 H 34.0371 11.7021 38.3572 0.0057615 -0.00533381 -0.00129689 21
6328 288 H 31.9103 12.5673 39.5189 0.004926 -0.00878517 0.00841262 21
6329 289 H 32.6888 14.1734 39.5741 0.0089197 0.00364532 -0.00125683 21
6330 290 H 34.5224 13.1471 40.9893 0.00218981 -0.00109612 0.00196676 21
6331 291 H 33.6407 11.6002 40.9164 -0.0106749 0.000144182 0.00918856 21
6332 292 H 31.7267 12.579 42.0561 -0.0045574 0.00311422 0.0157339 21
6333 293 H 32.4194 14.2115 41.99 -0.00629256 -0.0012424 -0.0117753 21
6334 294 H 34.3313 13.4956 43.3877 8.90908e-05 0.00498954 -0.0042325 21
6335 295 H 33.8154 11.8145 43.3792 -0.000512916 0.00140509 0.00718613 21
6336 296 H 31.6426 12.4653 44.4842 -0.00177245 0.00615237 -0.00618801 21
6337 297 H 32.277 14.0836 44.7332 -0.000769085 -0.00363993 -0.00387407 21
6338 298 H 34.1227 13.1566 46.1087 0.00222788 -0.000933571 0.00626636 21
6339 299 H 33.4212 11.5233 45.9628 0.0056398 0.000352126 -0.0167616 21
6340 300 H 32.7505 12.5094 48.1046 -0.00483743 -0.000727022 0.00268706 21
6341 301 H 31.3236 12.4274 47.059 0.000607533 -0.00220166 -0.0161869 21
6342 302 H 32.1644 13.9585 47.2574 -0.00308998 -0.00232631 -0.015387 21
6343 1 C 36.7705 27.1382 31.056 0.00418561 -0.00190207 0.000779658 22
6344 2 C 37.0206 27.0208 29.6648 0.00033669 -0.00396763 -0.00375154 22
6345 3 C 36.6788 25.8585 29.0049 -0.00449663 -0.00539884 -0.00160347 22
6346 4 C 36.1101 24.8077 29.7318 0.00507406 0.00155056 0.00302107 22
6347 5 C 35.881 24.8937 31.1063 -0.00170086 2.1296e-05 -0.00413729 22
6348 6 C 36.2031 26.0727 31.7812 0.00345131 0.0035207 -0.00333911 22
6349 7 C 31.4731 23.9158 30.4395 0.00114446 0.000593999 -0.00132152 22
6350 8 C 31.7066 23.8158 29.0422 0.00119794 -0.00478229 -0.00357665 22
6351 9 C 33.0024 23.6482 28.5549 -0.00395245 -0.00151906 -0.00371565 22
6352 10 C 34.0358 23.6103 29.511 0.000841516 -0.00208974 0.00158395 22
6353 11 C 33.8362 23.75 30.9009 0.000340876 -0.00343993 -0.00165501 22
6354 12 C 32.5004 23.856 31.4051 -0.00432829 0.0063227 0.0044267 22
6355 13 C 37.0575 20.3993 31.6298 -0.00213387 0.000809441 0.0012576 22
6356 14 C 37.2206 20.2561 30.2621 -0.00346887 0.00023901 0.00273472 22
6357 15 C 36.6758 21.2114 29.4071 0.000920793 -0.00157306 -0.00359095 22
6358 16 C 36.0544 22.3348 29.9474 -0.000862089 0.00363861 0.000176701 22
6359 17 C 35.4979 23.5201 29.1222 -0.00354784 0.000717546 -0.00069663 22
6360 18 O 36.3018 21.543 33.6588 -0.000745442 -0.000446229 0.00394583 22
6361 19 O 32.2357 23.9328 32.7327 -0.00145006 0.000676591 -0.000865177 22
6362 20 O 35.8975 26.234 33.107 -0.00153543 0.00189049 -0.00347695 22
6363 21 C 36.3908 21.4745 32.2465 0.000654919 -0.00105566 -0.0010327 22
6364 22 C 35.8476 23.3791 27.6894 1.63099e-05 -0.000758278 -0.000627192 22
6365 23 C 36.337 23.3083 26.5889 -0.000730036 -0.00189096 0.00199306 22
6366 24 C 37.0831 23.2368 25.419 0.00256523 0.00304453 -0.000620708 22
6367 25 C 38.3306 22.6041 25.453 0.00304518 0.00352157 -0.000576894 22
6368 26 C 39.2215 22.7072 24.3975 0.00111581 0.00305183 0.000460636 22
6369 27 C 38.8375 23.4783 23.3008 -0.0023749 0.000697825 -0.00588566 22
6370 28 C 37.5778 24.0624 23.2375 -0.000889417 -0.000313099 -0.00706186 22
6371 29 C 36.6741 23.9896 24.303 0.000129553 0.00242103 0.00328203 22
6372 30 C 39.6549 23.5232 22.1401 0.00247504 0.00211056 0.00122928 22
6373 31 C 40.1792 23.5716 21.0352 -0.000881578 -0.0035864 -0.00078186 22
6374 32 C 38.4782 20.4857 18.6896 -0.00486477 -0.000441652 7.64186e-05 22
6375 33 C 38.577 20.519 17.2825 0.0038633 4.27804e-05 0.000710752 22
6376 34 C 39.2784 21.5737 16.626 -0.00300721 0.00325838 -0.00062731 22
6377 35 C 39.8834 22.5586 17.4536 0.00254878 0.000532845 0.00160564 22
6378 36 C 39.7875 22.4925 18.8764 -0.00228206 -0.000884127 0.00689693 22
6379 37 C 39.0607 21.4701 19.4956 -0.00161705 0.00395295 0.00211206 22
6380 38 C 40.4522 23.6515 19.5937 0.00301042 -0.00228087 -0.00170606 22
6381 39 C 44.3013 23.7525 19.4634 -0.000781344 -0.00264702 -0.000547621 22
6382 40 C 44.4169 23.8719 18.061 -0.00190768 -0.000287016 -0.00127849 22
6383 41 C 43.3366 23.7872 17.198 0.00277337 -0.000312779 -0.00300558 22
6384 42 C 42.0196 23.7078 17.6968 -0.00127873 -0.00259279 0.000225226 22
6385 43 C 41.8901 23.6342 19.1245 0.00225136 0.00206756 0.00021634 22
6386 44 C 43 23.6596 19.9953 -0.0023036 -8.54597e-05 0.00523651 22
6387 45 C 38.7619 27.0787 18.9667 0.00265582 -0.00522318 -0.00493549 22
6388 46 C 38.8792 27.1368 17.5584 -0.000758307 -0.00200481 0.00229538 22
6389 47 C 39.509 26.1059 16.8746 9.65519e-05 -0.00586582 0.00420505 22
6390 48 C 39.9645 24.9696 17.5444 0.00152582 -0.00123627 -0.00584724 22
6391 49 C 40.6802 23.7679 16.945 -0.00112926 0.00185364 -0.00550131 22
6392 50 C 39.8616 24.8952 18.9266 0.00218621 -0.000729611 0.000825892 22
6393 51 C 39.3084 25.9644 19.6387 -0.000493187 0.00251833 0.00094671 22
6394 52 O 43.4472 23.9912 15.818 -0.00692482 0.00121144 0.000868022 22
6395 53 O 39.3936 21.6692 15.2595 0.0024018 -0.00127361 -0.00316229 22
6396 54 O 39.6614 26.3336 15.5162 -0.000265843 -0.00243931 0.00519811 22
6397 55 C 35.1092 23.7474 31.7402 0.00104539 0.00417474 -0.00133752 22
6398 56 C 35.8962 22.4699 31.3491 -0.00161106 0.000118443 0.0024005 22
6399 57 C 43.8514 22.9326 14.9465 -0.00378879 -0.00212753 -0.00332658 22
6400 58 C 42.7421 22.9059 13.8727 -0.001325 0.0033017 0.00475898 22
6401 59 C 43.1473 22.3653 12.5148 -0.00254751 -0.00188487 0.00312683 22
6402 60 C 42.0236 22.5599 11.4697 -0.00391134 0.000153831 -0.000824099 22
6403 61 C 42.4413 22.517 9.9597 0.000409493 -0.00351261 0.00205681 22
6404 62 C 43.1082 23.7901 9.45037 -0.00191065 -0.00288428 -0.00251493 22
6405 63 C 42.5051 24.2762 8.09073 0.000891473 -0.00128435 0.00203064 22
6406 64 C 42.542 23.297 6.92269 0.000108718 -0.00125209 0.00421612 22
6407 65 C 42.4234 23.9669 5.53579 0.00270758 0.00306321 -0.00301499 22
6408 66 C 42.5593 22.9457 4.38747 0.0042226 -7.71037e-05 0.00105512 22
6409 67 C 42.3083 23.5597 2.98325 0.00223954 -0.00139759 -0.00290266 22
6410 68 C 43.2423 24.6814 2.57845 0.0022956 0.00257135 -0.00286737 22
6411 69 F 40.4462 22.0973 24.457 0.00183464 -0.00168742 0.00453794 22
6412 70 C 38.7819 20.7302 14.379 0.00164926 -0.00157897 0.000477108 22
6413 71 C 39.2496 21.1221 12.9881 0.00402028 -0.00439714 0.00104231 22
6414 72 C 38.1976 20.8002 11.8763 0.00202275 0.00355825 -3.25101e-05 22
6415 73 C 38.866 20.6615 10.5161 0.000321778 -0.000448543 -0.00409614 22
6416 74 C 37.8681 20.3389 9.37137 0.00364099 -0.00191421 -0.000356562 22
6417 75 C 38.4917 20.1207 7.98214 0.000397561 0.000691788 0.00253186 22
6418 76 C 38.5987 21.409 7.14643 0.00269788 -0.000439653 0.000807771 22
6419 77 C 38.5372 21.1062 5.63206 0.000232012 -0.000564504 0.00330746 22
6420 78 C 38.6589 22.333 4.73853 -0.00259479 0.000337162 -0.00107865 22
6421 79 C 38.2759 21.9738 3.29198 0.000456611 -0.00160443 0.00411101 22
6422 80 C 39.1745 20.9413 2.58458 -0.000830032 -0.00247453 -0.000154557 22
6423 81 C 38.7126 20.716 1.15099 -0.00061026 0.0030456 0.000674855 22
6424 82 C 40.6089 25.7818 14.6219 0.0027691 -0.00148707 0.00199444 22
6425 83 C 40.7977 26.8409 13.5224 0.000795553 -0.000848474 0.000698404 22
6426 84 C 41.4223 26.4334 12.1469 0.000645043 0.00179615 0.00282111 22
6427 85 C 41.5087 27.6327 11.1638 0.00298078 -0.00065664 -0.00309253 22
6428 86 C 41.9743 27.2889 9.72882 -0.00127111 0.000339317 -0.00103018 22
6429 87 C 42.2364 28.5779 8.92376 -0.00049126 -0.000200101 0.000398461 22
6430 88 C 42.7531 28.3665 7.50728 -0.00340847 0.00112137 -0.00072112 22
6431 89 C 41.7072 27.7183 6.57345 0.000135361 -0.000750551 -0.00261873 22
6432 90 C 42.2233 27.5041 5.11231 -0.00167232 0.00473398 -0.00209174 22
6433 91 C 42.399 28.7908 4.21984 0.00155794 -0.00148313 0.00440255 22
6434 92 C 42.8348 28.4925 2.79463 -0.00119289 0.00166331 -0.000516155 22
6435 93 C 41.7799 27.8282 1.90847 -0.00259368 0.00170503 0.00392964 22
6436 94 C 30.9126 23.9763 33.2129 0.00441055 -0.00116061 -0.000480994 22
6437 95 C 30.8565 23.7595 34.7326 -0.00248054 0.00306046 -0.00222251 22
6438 96 C 29.583 24.3644 35.2805 0.00326502 -0.000322752 0.0032987 22
6439 97 C 29.0046 23.8687 36.6402 0.0032196 -0.00120988 -0.00120284 22
6440 98 C 29.8556 24.1441 37.9155 -0.00172651 0.00314317 -0.00153715 22
6441 99 C 28.992 23.9025 39.1593 -0.00267094 0.00247368 0.000772711 22
6442 100 C 29.8332 23.7429 40.4676 -0.00105608 0.000310019 0.00789977 22
6443 101 C 29.0157 24.002 41.7322 -6.92372e-05 0.00219465 -0.00139221 22
6444 102 C 29.8286 23.7038 42.9831 0.00311157 -0.000462087 -0.0030005 22
6445 103 C 29.0802 24.0383 44.2834 0.00446673 0.00468558 -0.0026885 22
6446 104 C 29.9466 23.6364 45.5166 -0.00107014 -0.000251265 0.00192327 22
6447 105 C 29.5408 24.3164 46.8044 0.000836094 0.00548053 0.00113117 22
6448 106 C 35.7811 27.4663 33.8363 -0.000156124 -0.00201565 0.00367209 22
6449 107 C 37.2035 28.0592 34.0995 0.00557408 -0.000410001 0.00388449 22
6450 108 C 37.3338 28.9681 35.3567 -0.00146272 -0.00225281 0.00176948 22
6451 109 C 36.7829 28.3418 36.6682 0.0043211 -0.00230364 -0.000357601 22
6452 110 C 37.5168 28.8555 37.9418 0.00205611 -0.000944515 -0.0063818 22
6453 111 C 37.018 28.1635 39.2063 -0.00356615 0.00258829 -0.000445516 22
6454 112 C 37.9404 28.4077 40.359 -0.000799707 -0.00408459 0.00368642 22
6455 113 C 37.5564 27.6811 41.6662 -0.00286885 -0.00150065 -0.00168237 22
6456 114 C 36.4133 28.311 42.4552 0.00373219 0.00199708 0.00624342 22
6457 115 C 36.4878 28.071 43.9859 0.000169267 0.00229667 0.00452592 22
6458 116 C 37.8008 28.5972 44.6429 0.00490274 0.00195238 0.00119906 22
6459 117 C 37.8433 28.4903 46.1876 -0.00106544 0.00476587 0.00318557 22
6460 118 C 36.856 20.3987 34.4368 0.00292829 0.00551457 0.000163021 22
6461 119 C 36.8487 20.5761 35.9955 -0.00188675 -0.0013021 -0.002181 22
6462 120 C 37.4534 19.3184 36.6902 -0.001694 -0.00526956 0.00314042 22
6463 121 C 37.9802 19.5592 38.1717 -0.00235485 -0.00188124 0.00642305 22
6464 122 C 36.9235 19.6004 39.309 -0.00165462 -0.00200972 0.00039305 22
6465 123 C 37.6545 19.673 40.6707 -0.000519583 -0.00228151 0.00117824 22
6466 124 C 36.6884 19.5588 41.8738 0.00452334 0.00217336 -0.000503047 22
6467 125 C 37.4336 19.512 43.2469 -7.05325e-05 0.000836277 -0.00128851 22
6468 126 C 36.5378 19.1995 44.4445 0.00158512 0.00171021 0.00042104 22
6469 127 C 37.3171 19.064 45.753 0.000463481 0.00350029 0.00307852 22
6470 128 C 37.8363 20.4308 46.3029 -0.000550272 0.00377304 0.00263186 22
6471 129 C 38.73 20.2205 47.5444 -0.00273419 0.000621145 -0.0021513 22
6472 130 F 38.6816 21.8408 26.5322 -0.00106236 -0.00014838 -0.0017793 22
6473 131 H 36.9525 28.1219 31.4787 -0.000867545 -0.00197681 0.00312089 22
6474 132 H 37.344 27.869 29.0687 0.00136791 -0.00488844 -0.00450135 22
6475 133 H 36.7483 25.8155 27.922 -0.01037 -0.00582035 -0.0019694 22
6476 134 H 30.44 24.0293 30.7544 -0.000184051 0.000700047 -0.00571174 22
6477 135 H 30.8709 23.9663 28.3652 0.0140301 0.0113194 -0.0158607 22
6478 136 H 33.1771 23.5341 27.4891 -0.000258894 0.0112396 -0.00446378 22
6479 137 H 37.4999 19.5775 32.1851 -0.0108908 0.00339298 0.0120096 22
6480 138 H 37.6681 19.3846 29.7934 -0.00054146 -0.00352753 0.0125773 22
6481 139 H 36.7734 21.0567 28.3366 0.00769434 -0.0078878 -0.0020642 22
6482 140 H 37.3292 24.7095 22.4016 0.000310603 -0.00125311 -0.00814312 22
6483 141 H 35.7019 24.4734 24.2884 -0.00436217 -0.00690965 -0.00721981 22
6484 142 H 37.9248 19.69 19.1793 -0.0165838 0.00829522 0.00102038 22
6485 143 H 38.0994 19.7438 16.6906 0.0122534 -0.00122924 -0.00440585 22
6486 144 H 38.9068 21.4176 20.5694 0.00611433 -0.00209915 0.00291774 22
6487 145 H 45.1502 23.7502 20.1407 0.0112398 0.00379028 -0.0156386 22
6488 146 H 45.3825 24.0788 17.6091 -0.00716508 0.01145 -0.00715537 22
6489 147 H 42.8891 23.6184 21.0748 -0.00222312 0.0138892 0.00578025 22
6490 148 H 38.341 27.9213 19.5072 0.0141906 -0.00731046 0.00729445 22
6491 149 H 38.5394 28.0254 17.0348 0.00433712 -0.00404634 -0.00446539 22
6492 150 H 40.8646 23.6713 15.868 0.00560805 0.00838953 -0.0049337 22
6493 151 H 39.198 25.8813 20.7158 -0.0165265 -0.0021755 -0.00103982 22
6494 152 H 34.8789 23.8037 32.8113 -0.000422145 -0.0171041 -0.000501791 22
6495 153 H 44.8253 23.1003 14.4701 -0.00429386 -0.000594203 -0.00381365 22
6496 154 H 43.9329 21.9954 15.5109 0.000581388 0.00234312 0.0034868 22
6497 155 H 42.3736 23.929 13.728 -0.0014329 0.00364786 0.0074731 22
6498 156 H 41.8663 22.3409 14.215 0.000169837 0.00211769 0.00661977 22
6499 157 H 43.4222 21.3043 12.5613 -0.00441114 -0.00217572 0.00735888 22
6500 158 H 44.0449 22.9053 12.1891 -0.000919375 -0.0068988 -0.000695246 22
6501 159 H 41.4607 23.4643 11.7317 0.00814268 0.00684136 0.00199929 22
6502 160 H 41.3002 21.7405 11.5628 -0.00992435 0.00512019 -0.00381552 22
6503 161 H 41.5854 22.2284 9.33714 -0.00218274 -0.00774994 0.00757851 22
6504 162 H 43.1516 21.6839 9.89081 0.00882927 0.00276275 0.0127449 22
6505 163 H 44.1552 23.495 9.30802 -0.00127267 -0.00448461 0.00548893 22
6506 164 H 43.0389 24.5568 10.2319 0.00342198 -0.0104571 0.00539329 22
6507 165 H 43.1149 25.1379 7.79221 0.00841362 -0.00488306 0.00698647 22
6508 166 H 41.4591 24.6041 8.13259 0.00278158 0.00478914 0.00161373 22
6509 167 H 41.7141 22.589 7.0525 0.00348255 -0.00423994 0.00942719 22
6510 168 H 43.495 22.7564 6.9763 0.00709896 0.0100464 -0.00603329 22
6511 169 H 43.1634 24.7698 5.43028 0.00933632 -0.00227757 0.00283324 22
6512 170 H 41.4018 24.3544 5.4383 -0.00127573 -0.0087888 -0.00877651 22
6513 171 H 41.8176 22.1382 4.42403 0.0122207 -0.00724025 0.00451413 22
6514 172 H 43.574 22.5306 4.35088 0.00117511 -0.00615548 -0.0152369 22
6515 173 H 41.277 23.9045 2.83889 -0.000360963 -0.00204074 0.0143921 22
6516 174 H 42.3911 22.7701 2.22624 -0.000730552 -0.00142754 -0.00320064 22
6517 175 H 44.274 24.3237 2.684 -0.00417487 -0.0172238 -0.00637807 22
6518 176 H 43.0628 25.5783 3.18402 0.00374899 0.00645218 -0.00817172 22
6519 177 H 43.0742 25.0086 1.54498 0.0103761 0.00457855 -0.00354858 22
6520 178 H 39.022 19.7 14.6697 -0.00716027 -0.00384552 -0.00021556 22
6521 179 H 37.6922 20.7861 14.4926 0.00187533 -0.00196454 0.00287909 22
6522 180 H 39.4876 22.1929 12.9779 0.0055053 -0.00488995 -0.0149404 22
6523 181 H 40.1552 20.5328 12.7983 0.00703182 0.00501927 -0.0138473 22
6524 182 H 37.6139 19.8895 12.0591 0.0087847 -0.00189681 -0.00559015 22
6525 183 H 37.4987 21.6457 11.8766 -0.00584975 -0.00298442 -0.0167752 22
6526 184 H 39.4199 21.5827 10.2968 -0.00421788 0.000314591 -0.0123318 22
6527 185 H 39.6233 19.872 10.5969 -0.012327 -0.0116659 0.00482969 22
6528 186 H 37.2537 19.4721 9.64458 -0.000136611 -0.00161261 -0.00787369 22
6529 187 H 37.1054 21.1234 9.29115 -0.0145225 -0.0191837 0.00304944 22
6530 188 H 39.4484 19.5857 8.02519 -0.00260523 -0.00585389 -0.0119816 22
6531 189 H 37.7891 19.4705 7.44645 -0.00574846 0.00474173 0.00566326 22
6532 190 H 37.8179 22.1501 7.35758 0.00102847 -0.0044185 0.00849827 22
6533 191 H 39.4898 21.9834 7.42783 0.00299364 0.0048623 -0.0109445 22
6534 192 H 39.3346 20.403 5.36191 -0.00882165 -0.009712 0.000477983 22
6535 193 H 37.5372 20.6746 5.50117 0.0063545 -0.0102592 -0.0110878 22
6536 194 H 37.9137 23.049 5.10658 0.0062667 0.0151614 -0.0120062 22
6537 195 H 39.6101 22.871 4.83393 -0.00176395 -0.000896345 -0.00245328 22
6538 196 H 37.2327 21.6346 3.27803 -0.000327771 0.00100945 -0.00109655 22
6539 197 H 38.2592 22.8941 2.69516 -0.00320762 0.000425336 0.0073403 22
6540 198 H 40.2031 21.3141 2.66425 -0.00264261 0.00366758 -0.00562671 22
6541 199 H 39.1766 19.958 3.07096 0.0100076 -0.0014587 0.00186723 22
6542 200 H 39.3383 19.945 0.684618 -0.00150102 0.00834764 -0.00928933 22
6543 201 H 37.6631 20.3999 1.10519 -0.00395402 0.0145377 -0.00181323 22
6544 202 H 38.8763 21.6422 0.586552 -0.0122432 0.0143394 0.015851 22
6545 203 H 41.5624 25.6147 15.138 0.0036203 -0.0157175 -0.0042205 22
6546 204 H 40.2237 24.8502 14.1891 0.0112522 0.00266025 -0.0144895 22
6547 205 H 39.8351 27.3196 13.3042 0.0113586 0.0130252 -0.0155391 22
6548 206 H 41.4121 27.6524 13.9315 -0.0122504 0.015618 -0.0123422 22
6549 207 H 42.4237 25.9958 12.2421 -0.0031074 -0.00590682 0.00675402 22
6550 208 H 40.7806 25.6579 11.7108 -0.0016418 0.00488636 0.000688744 22
6551 209 H 40.4947 28.0379 11.0592 -0.00182904 -0.00767089 0.0163767 22
6552 210 H 42.1483 28.4178 11.5856 -0.00572735 0.00291853 0.00344581 22
6553 211 H 42.8487 26.6266 9.74128 0.00816312 0.0125791 -0.0137361 22
6554 212 H 41.1609 26.7869 9.19056 0.00611986 -0.0139578 0.00117941 22
6555 213 H 41.3509 29.2249 8.89642 -8.0694e-05 0.000643254 0.00721739 22
6556 214 H 43.0499 29.0706 9.47045 -0.00870558 0.0112251 0.00227535 22
6557 215 H 43.0526 29.3706 7.18249 0.00500589 -0.00201508 -0.00265413 22
6558 216 H 43.6849 27.7918 7.57676 -0.0149843 -0.0181608 -0.00539811 22
6559 217 H 41.4292 26.7407 6.98629 0.0117561 -0.00104651 0.00453276 22
6560 218 H 40.8071 28.3434 6.52421 -0.00130748 -0.0026451 -0.000210104 22
6561 219 H 43.1595 26.9324 5.12102 -0.00885484 -0.00723533 -0.0117664 22
6562 220 H 41.5472 26.8173 4.58832 -0.00803982 0.0162148 -0.00890776 22
6563 221 H 41.4962 29.4139 4.20765 -0.00353385 -0.00899342 -0.00100071 22
6564 222 H 43.1564 29.4462 4.66732 -0.00853292 0.00533203 0.0115229 22
6565 223 H 43.1176 29.4475 2.33473 -0.0013378 0.00338761 0.00297136 22
6566 224 H 43.736 27.8676 2.82398 0.00393099 0.00917575 0.00211912 22
6567 225 H 40.9341 28.5257 1.86973 0.00879359 0.0147329 -0.00968553 22
6568 226 H 42.0972 27.608 0.881709 -0.00747444 -0.00944933 0.00479736 22
6569 227 H 41.383 26.9073 2.3533 -0.0054111 -0.00488673 -0.0122255 22
6570 228 H 30.4248 24.92 32.9394 0.00625755 -0.000105765 -0.000127833 22
6571 229 H 30.3865 23.1447 32.728 0.00437642 -0.00342213 0.00343658 22
6572 230 H 30.9341 22.6879 34.954 -0.0090954 0.00279016 -0.00121956 22
6573 231 H 31.7006 24.2985 35.1802 -0.00482269 0.00418992 0.000835821 22
6574 232 H 29.7649 25.4425 35.3706 -0.0143444 0.00262852 0.0036244 22
6575 233 H 28.7609 24.2089 34.5709 -0.0094226 -0.00198099 0.0183167 22
6576 234 H 28.0463 24.3923 36.7445 0.00348945 -0.00132942 0.00185118 22
6577 235 H 28.7015 22.8165 36.5727 0.00603487 -0.00196465 -0.00206024 22
6578 236 H 30.7208 23.4746 37.9973 -0.00879302 -0.00453087 0.010594 22
6579 237 H 30.2462 25.1692 37.9101 0.00798066 -0.000576735 -0.00682144 22
6580 238 H 28.3809 24.8093 39.2475 -0.0057398 0.000191771 0.00287762 22
6581 239 H 28.3518 23.0188 39.0469 0.00153707 0.00062959 -0.00868323 22
6582 240 H 30.3142 22.761 40.5564 0.0099357 0.00543101 0.00500901 22
6583 241 H 30.6409 24.4846 40.4366 -0.0100256 0.0100595 0.00718926 22
6584 242 H 28.7384 25.0632 41.7492 0.00565651 0.00365613 0.00117741 22
6585 243 H 28.0919 23.4125 41.7826 0.00250691 -0.00155037 0.00211163 22
6586 244 H 30.0398 22.629 43.0442 -0.00445181 -0.00168546 0.00182529 22
6587 245 H 30.8 24.213 42.9633 0.00525291 -0.00445195 -0.000851463 22
6588 246 H 28.9316 25.125 44.2604 -0.0187989 0.00129409 -0.0109082 22
6589 247 H 28.1427 23.4686 44.2823 0.0110377 -0.00615978 -0.012677 22
6590 248 H 29.8346 22.5536 45.6523 0.0145115 -0.00286011 -0.00615436 22
6591 249 H 30.999 23.8605 45.3028 -0.000600919 -0.000387854 0.00410704 22
6592 250 H 28.4641 24.2842 47.0123 -0.00254692 0.00410998 -0.0167207 22
6593 251 H 30.0769 23.8445 47.637 -0.00625865 -0.00770322 -0.00180109 22
6594 252 H 29.8535 25.3634 46.9014 -0.00738846 0.00784602 0.00214032 22
6595 253 H 35.1304 28.1507 33.2781 0.00319946 0.00214401 0.00486937 22
6596 254 H 35.3648 27.2459 34.8271 -0.0205577 0.0150284 -0.00111913 22
6597 255 H 37.9252 27.2358 34.1663 -0.00543154 -0.0092614 0.0136907 22
6598 256 H 37.5034 28.684 33.2492 -0.000989344 0.000946983 0.00255377 22
6599 257 H 38.3816 29.2618 35.4959 -0.000938091 -0.0028852 -0.000854315 22
6600 258 H 36.8175 29.9164 35.1628 -0.0016391 -0.000735992 0.00967655 22
6601 259 H 35.7221 28.6057 36.7598 0.00539057 0.00132254 0.00165585 22
6602 260 H 36.9159 27.2532 36.6953 -0.0222371 -0.00532135 0.0079372 22
6603 261 H 38.5941 28.6653 37.8611 0.00125673 -0.00953297 0.00312841 22
6604 262 H 37.3785 29.9381 38.0534 -0.00141934 -0.00191748 -0.00122249 22
6605 263 H 36.0239 28.5378 39.4805 -0.00161244 0.0061115 0.00186776 22
6606 264 H 37.0346 27.0954 38.9567 -0.00363049 0.00196217 0.00226041 22
6607 265 H 38.9699 28.104 40.1328 0.00122108 0.0152071 -0.0129343 22
6608 266 H 38.036 29.4816 40.5618 -0.0107869 -0.00424624 0.00921228 22
6609 267 H 37.3388 26.6235 41.4725 0.00988884 -0.00522951 0.00417542 22
6610 268 H 38.5052 27.5871 42.2088 -0.00154583 0.0152975 -0.00114865 22
6611 269 H 36.456 29.3981 42.3147 0.0016405 0.000421452 -0.00652169 22
6612 270 H 35.4103 28.0279 42.1126 0.0033754 0.00968428 0.000946361 22
6613 271 H 35.6209 28.5701 44.4363 0.0023372 0.013726 -0.00394724 22
6614 272 H 36.4002 26.9987 44.2002 0.0111643 0.00252122 0.0101782 22
6615 273 H 38.6844 28.0683 44.2648 0.00842918 0.010749 -0.00287895 22
6616 274 H 37.9309 29.6442 44.3425 -0.0025591 0.00264901 0.00038673 22
6617 275 H 37.8492 27.4297 46.468 0.00159913 -0.000602409 -0.0169999 22
6618 276 H 38.7627 28.9928 46.5125 0.00283601 -0.00499278 0.00717663 22
6619 277 H 37.0068 29.0786 46.5846 -0.0133743 -0.00962165 -0.00151555 22
6620 278 H 36.3539 19.4778 34.1155 -5.09345e-05 0.012687 -0.01581 22
6621 279 H 37.9003 20.2538 34.1339 0.00358858 -0.0133268 0.0114589 22
6622 280 H 35.8534 20.7483 36.4234 0.00135807 -0.00402217 0.00646127 22
6623 281 H 37.4821 21.4205 36.2941 0.00913612 -0.0035018 -0.0193419 22
6624 282 H 38.3223 18.9893 36.1069 -0.00307449 0.00465112 -0.00450796 22
6625 283 H 36.7673 18.4625 36.6835 0.011564 -0.0159773 0.00931648 22
6626 284 H 38.5732 20.4756 38.2806 0.00394479 -0.00770381 0.0214178 22
6627 285 H 38.6376 18.7204 38.4316 -0.00499165 -0.00546828 0.00151759 22
6628 286 H 36.33 18.6792 39.2602 -0.00335668 -0.00130528 0.00791193 22
6629 287 H 36.2823 20.4674 39.1079 0.00186479 0.00139893 0.00387512 22
6630 288 H 38.1734 20.6384 40.7183 0.00161747 -0.00320535 -0.00332316 22
6631 289 H 38.4397 18.912 40.758 0.00362033 0.00199425 0.00128071 22
6632 290 H 36.064 18.6579 41.8303 -0.000905638 0.00577135 0.00266402 22
6633 291 H 35.9784 20.3943 41.8391 0.0067968 0.00368939 -0.0105277 22
6634 292 H 37.925 20.4712 43.4514 0.0201748 -0.00651711 -0.0154767 22
6635 293 H 38.2472 18.7815 43.1588 -0.00249939 -0.00259551 0.00488523 22
6636 294 H 36.0254 18.2446 44.2739 0.00919474 -0.000196862 -0.0117266 22
6637 295 H 35.7492 19.9563 44.5378 0.00449803 0.00266475 0.0171609 22
6638 296 H 38.1585 18.3674 45.6517 0.0124114 0.016788 0.0107893 22
6639 297 H 36.653 18.6544 46.5241 -0.00945426 -0.0136458 -0.0146109 22
6640 298 H 36.9664 21.0494 46.5564 0.00249863 0.0035668 0.0136062 22
6641 299 H 38.4996 20.9367 45.5905 0.00278396 -0.00548606 -0.00085625 22
6642 300 H 39.0324 21.2091 47.9112 -0.00335087 -0.00667309 0.0178545 22
6643 301 H 39.6725 19.7194 47.2914 0.00238947 0.00354808 0.0111087 22
6644 302 H 38.1699 19.644 48.291 -0.0101938 -6.03548e-05 -0.00824993 22
6645 1 C 40.9395 20.2987 31.102 0.0010719 -0.0023921 -0.00115844 23
6646 2 C 41.0587 20.2018 29.7134 0.00160226 0.0011019 9.63016e-05 23
6647 3 C 40.5546 19.1288 29.0267 -0.0026119 0.000644406 0.00267098 23
6648 4 C 39.8826 18.1408 29.78 0.00387437 -0.00217353 0.0041643 23
6649 5 C 39.7162 18.2445 31.1846 -0.00277346 -0.00350227 0.00126118 23
6650 6 C 40.2159 19.3846 31.8679 -0.00430614 -0.0067761 0.00160818 23
6651 7 C 35.2751 16.7695 30.635 0.0015757 -0.000848549 0.000718539 23
6652 8 C 35.4782 16.6689 29.2363 -0.00358271 0.00314192 -0.00410944 23
6653 9 C 36.7768 16.7307 28.7291 -0.00587911 -0.00430389 -0.00120806 23
6654 10 C 37.866 16.8689 29.5892 -0.00376708 0.00155971 0.000307844 23
6655 11 C 37.6416 16.9265 30.9895 -0.000112126 -0.00284826 0.000586542 23
6656 12 C 36.3392 16.9409 31.524 -0.000638574 -0.00317761 0.00393411 23
6657 13 C 40.934 13.5469 31.3896 -0.00375233 -0.00029651 0.00160939 23
6658 14 C 41.0484 13.5438 29.9807 0.00117651 0.00477175 -0.000508048 23
6659 15 C 40.5498 14.6101 29.2586 0.00285948 -0.00100947 -0.000567003 23
6660 16 C 39.9269 15.6782 29.9416 -0.000172022 0.0020378 0.00177569 23
6661 17 C 39.3319 16.8763 29.1765 0.0019484 0.00324566 -0.00121416 23
6662 18 O 40.3365 14.5955 33.4908 -0.00106023 0.00341295 -0.00163621 23
6663 19 O 36.1141 17.0957 32.8961 0.00218982 1.45623e-05 -0.00358045 23
6664 20 O 40.0397 19.6041 33.2097 -0.000658038 -0.00131319 0.000442936 23
6665 21 C 40.3327 14.6339 32.1061 0.000342353 -0.00339819 0.000129441 23
6666 22 C 39.5706 16.8079 27.7002 0.00428989 0.00125008 0.00369901 23
6667 23 C 40.0328 16.7753 26.5671 -0.00383557 -0.00399062 0.00222242 23
6668 24 C 40.7374 16.7525 25.323 0.0015724 -0.000511774 -0.00118262 23
6669 25 C 40.4931 17.7369 24.3596 0.00161713 0.00275639 0.00493711 23
6670 26 C 41.4015 17.8883 23.2567 -0.000473639 -0.000933587 0.00211032 23
6671 27 C 42.4924 17.0093 23.1054 -0.00643242 -8.48074e-05 -0.00103588 23
6672 28 C 42.6339 15.955 24.0241 0.00346405 -0.00234331 0.0047756 23
6673 29 C 41.848 15.9187 25.1902 -0.00300679 0.0055591 0.00378808 23
6674 30 C 43.3159 17.0795 21.9288 -0.00561332 0.00204153 0.000364721 23
6675 31 C 43.8573 17.1073 20.8513 -0.000996599 -0.00227628 0.00383281 23
6676 32 C 42.7472 13.5589 18.6555 0.00197479 -0.00176481 0.00302859 23
6677 33 C 43.0472 13.4463 17.2829 -0.00170911 -0.00110258 0.00143065 23
6678 34 C 43.6598 14.5178 16.627 -0.000323231 0.000921295 0.00296247 23
6679 35 C 43.9235 15.6769 17.3767 0.00184673 0.000158839 -0.00137627 23
6680 36 C 43.6342 15.7606 18.7437 -7.5114e-05 -0.00216621 0.00202439 23
6681 37 C 42.9896 14.6998 19.404 -0.000976697 -0.00381207 -0.00130387 23
6682 38 C 44.1931 17.0192 19.4161 -0.00123167 0.00295425 -0.0019667 23
6683 39 C 48.0803 16.9568 19.413 1.7857e-05 -0.000751347 0.000290077 23
6684 40 C 48.253 17.0551 18.0092 0.000417041 -0.00112468 0.00151946 23
6685 41 C 47.1765 17.1482 17.1286 0.000790649 -0.00303492 0.00419909 23
6686 42 C 45.9165 17.0208 17.6337 0.00086401 -0.00174342 0.00212609 23
6687 43 C 45.6812 17.0504 19.0241 -0.00203578 0.00410462 0.000598033 23
6688 44 C 46.7574 17.0336 19.9124 0.0040732 -0.00154979 0.00117233 23
6689 45 C 42.2388 20.1248 18.2111 0.00249165 -0.00275908 0.00476372 23
6690 46 C 42.4355 20.0413 16.8279 -0.00192437 -0.00612712 -0.00196071 23
6691 47 C 43.2078 18.9817 16.3167 0.00655559 -0.00316194 0.00427351 23
6692 48 C 43.8202 18.0733 17.1951 -0.00275951 0.0018432 0.00332284 23
6693 49 C 44.654 16.8951 16.7971 0.000947992 -0.00426313 0.000242793 23
6694 50 C 43.5923 18.1684 18.5598 0.000265363 0.00317604 0.00119048 23
6695 51 C 42.849 19.2464 19.0845 -0.00486182 -0.00233407 0.00195813 23
6696 52 O 47.354 17.2812 15.7651 -0.00211001 -0.00415368 -0.00171487 23
6697 53 O 44.124 14.398 15.3476 0.000841885 -0.000359215 0.000142033 23
6698 54 O 43.4586 18.889 14.9541 0.00374273 -0.0029961 0.00215648 23
6699 55 C 38.9792 16.9995 31.7846 -0.00198153 0.0042432 -0.00144152 23
6700 56 C 39.7688 15.7456 31.3234 -4.83298e-05 0.0021497 -0.00259325 23
6701 57 C 47.8376 16.1951 14.9172 -0.000719123 -0.00430146 0.00289114 23
6702 58 C 47.6839 16.5316 13.4223 -0.0036081 -0.00166841 -6.90756e-05 23
6703 59 C 46.1809 16.7655 13.0479 -0.00419094 0.000908614 -0.00130131 23
6704 60 C 45.9446 16.8507 11.5378 -0.00271023 0.00038783 0.000356475 23
6705 61 C 46.7443 15.8073 10.7652 0.00359178 -0.00264365 -0.00150809 23
6706 62 C 46.1295 15.4355 9.4347 -0.00148165 -0.00417702 -0.0014093 23
6707 63 C 46.273 16.4901 8.31986 -0.00269842 0.000137732 -0.00386674 23
6708 64 C 46.1199 15.858 6.91293 -0.0016525 -0.00162215 -0.000115346 23
6709 65 C 46.2283 16.8871 5.73458 -0.00126302 0.00178703 -0.00111839 23
6710 66 C 46.2056 16.1296 4.34622 0.00328827 -0.000163815 -0.000856571 23
6711 67 C 46.358 17.0262 3.08562 0.000903404 -0.00279405 -0.00132132 23
6712 68 C 46.4827 16.2324 1.78543 0.00378216 -0.00444613 0.00233144 23
6713 69 F 41.1993 18.9321 22.3841 0.000358278 0.0041776 0.00102464 23
6714 70 C 44.3237 13.0622 14.8009 0.00127587 -0.00357644 0.000711682 23
6715 71 C 45.2818 13.0964 13.5853 -0.000312772 0.00227472 0.000238109 23
6716 72 C 44.6858 13.0604 12.1891 0.00229338 0.00226419 0.00596403 23
6717 73 C 45.6011 12.3115 11.1785 0.000661328 -0.00123201 -0.00234551 23
6718 74 C 45.0167 11.9791 9.79104 -0.00116345 -0.00200178 -0.000252736 23
6719 75 C 45.9594 10.9942 9.07126 0.00504786 -0.0020424 7.7973e-06 23
6720 76 C 46.7008 11.612 7.87289 0.00097468 -0.00143596 -0.00210772 23
6721 77 C 45.8079 11.8996 6.65602 -0.00536542 -0.00353836 0.000328855 23
6722 78 C 46.6973 12.2074 5.42523 0.000649693 -0.000436006 0.000190021 23
6723 79 C 45.8913 12.3092 4.10938 0.00190262 -0.00262067 0.00213458 23
6724 80 C 46.6971 12.5994 2.82353 -0.00262664 0.00139449 -0.00222416 23
6725 81 C 45.8633 12.5853 1.51158 -0.000677891 0.000619191 -0.00147326 23
6726 82 C 42.4013 18.8534 13.9796 0.00113116 -0.00502558 0.00151359 23
6727 83 C 43.1396 18.4792 12.6714 -0.000411766 0.00285452 -0.00370941 23
6728 84 C 42.3104 18.8 11.3996 0.000290214 0.00597663 -0.001059 23
6729 85 C 43.1173 18.6997 10.0729 -0.000844304 -0.000775771 -0.00124218 23
6730 86 C 42.1534 19.0053 8.88387 0.00260613 0.00322235 -0.00139159 23
6731 87 C 42.9491 19.5145 7.65653 -0.000257534 6.94652e-05 0.00223202 23
6732 88 C 42.0765 19.8258 6.47499 -0.00587967 0.000944673 -0.00318394 23
6733 89 C 41.6843 18.5658 5.69414 0.00184928 -0.00184969 0.00173209 23
6734 90 C 42.5556 18.2715 4.48735 -0.0018807 0.00300873 0.00261487 23
6735 91 C 42.1857 19.0993 3.1966 -0.00188703 -0.00167117 0.00120224 23
6736 92 C 43.1756 18.9269 2.0327 -0.00286459 -2.57203e-05 0.00471276 23
6737 93 C 43.2439 17.4927 1.5186 -0.00199237 0.00165355 -0.0019029 23
6738 94 C 34.7954 17.2239 33.3837 0.00227876 0.00128204 -0.00127923 23
6739 95 C 34.6564 17.3439 34.9049 0.00217845 0.000573103 0.000571209 23
6740 96 C 33.1888 17.116 35.3422 -0.0042155 0.000232896 0.00349337 23
6741 97 C 32.8319 17.5941 36.7526 0.00465624 0.0020006 0.000302236 23
6742 98 C 33.6788 17.1388 37.97 -0.00259126 0.000829921 -0.0011537 23
6743 99 C 32.8982 17.5025 39.2591 -0.00330072 -0.00237679 0.0040845 23
6744 100 C 33.5786 17.1436 40.5464 0.00446224 -0.00423723 -0.00327288 23
6745 101 C 32.7349 17.4689 41.7953 0.00295081 0.00164123 -0.00061011 23
6746 102 C 33.4016 16.9511 43.1237 0.00500728 0.00158459 0.00149812 23
6747 103 C 32.6396 17.3338 44.442 0.000204011 -0.00225906 0.00430903 23
6748 104 C 33.4458 16.8549 45.6778 0.00819772 0.00108152 0.00197431 23
6749 105 C 32.5831 16.883 46.9293 -0.000738044 0.00334092 -0.000376148 23
6750 106 C 40.7392 20.7047 33.854 -0.00145045 0.00336124 0.000645585 23
6751 107 C 40.5608 20.863 35.3503 0.00342399 0.000871156 0.000662824 23
6752 108 C 41.3176 22.0918 35.8051 0.000558125 -0.00160587 -0.00166676 23
6753 109 C 41.0144 22.4304 37.2989 0.00345729 -0.000652354 -0.00141794 23
6754 110 C 42.1676 22.0686 38.267 -0.00120612 0.0025593 0.00443295 23
6755 111 C 42.0639 20.7131 38.9315 -0.000458892 -0.00161013 0.00116005 23
6756 112 C 41.0002 20.5866 40.028 0.0032797 -0.000509681 -0.000357521 23
6757 113 C 41.5862 21.0702 41.4089 -0.00129789 -0.000862038 0.00170427 23
6758 114 C 40.5767 20.7716 42.5266 -0.00130554 -0.00248444 0.000529041 23
6759 115 C 41.1527 20.7175 43.9814 -0.00228431 0.00145515 0.00188098 23
6760 116 C 41.9121 21.9673 44.4271 -0.001029 -0.00278185 0.00176707 23
6761 117 C 42.1699 21.8969 45.9339 -0.000918361 0.000830027 -0.00055524 23
6762 118 C 41.2194 13.7046 34.263 0.00269956 0.000382718 -0.00278009 23
6763 119 C 40.8486 13.6477 35.7582 0.00339486 0.00125936 -0.00153128 23
6764 120 C 41.6448 12.5688 36.5155 -0.00372779 -0.00355873 0.00249345 23
6765 121 C 41.989 12.9675 37.9696 6.04042e-08 0.0018509 -0.000971192 23
6766 122 C 40.9702 12.5375 39.0587 0.00199551 0.00254744 -0.000484219 23
6767 123 C 41.5639 12.861 40.4349 0.00174771 0.00599153 -0.00126368 23
6768 124 C 40.6072 12.7753 41.6221 -0.00155477 0.00170928 0.00258242 23
6769 125 C 41.3532 12.9064 42.9796 0.00165462 0.00183254 -0.00117332 23
6770 126 C 40.3794 12.9102 44.152 0.000417829 -9.00163e-05 0.00276106 23
6771 127 C 40.941 13.5427 45.4571 0.000967173 0.000260213 -0.00536761 23
6772 128 C 42.0104 12.7475 46.17 0.0015814 0.000834099 0.00046773 23
6773 129 C 41.4481 11.542 46.9082 0.00119265 0.00244369 0.00406626 23
6774 130 F 39.4575 18.5934 24.5036 -0.0020005 -0.00168766 -0.00169101 23
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6777 133 H 40.714 19.0727 27.9539 0.0156425 -0.00178905 0.00550267 23
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6785 141 H 42.0488 15.1607 25.9416 0.0179024 -0.00682901 -0.0142803 23
6786 142 H 42.297 12.7049 19.153 0.000117633 0.00141508 0.00679877 23
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6788 144 H 42.7294 14.7132 20.4583 0.0103361 0.00405843 0.00138029 23
6789 145 H 48.9589 16.8411 20.0406 0.00133828 0.0125171 0.000881331 23
6790 146 H 49.2719 17.0341 17.6339 -0.000504335 -0.0197001 5.9325e-05 23
6791 147 H 46.6654 16.9616 20.9921 0.00310214 -0.00359839 0.000951349 23
6792 148 H 41.6319 20.9002 18.6692 -0.0139295 -0.0165139 0.00632404 23
6793 149 H 42.0132 20.7692 16.1415 -0.00103715 0.000359212 0.00438535 23
6794 150 H 44.8381 16.7993 15.7199 -0.0085171 -0.00652274 -0.00117495 23
6795 151 H 42.7323 19.3717 20.157 0.00851214 -9.61663e-06 0.00315588 23
6796 152 H 38.832 17.0212 32.8715 -0.00483868 -0.0046345 -0.00164421 23
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6798 154 H 47.1966 15.3193 15.0769 -0.0099547 0.00374324 0.0099698 23
6799 155 H 48.174 15.7439 12.8369 -0.0048496 -0.00941529 0.00932155 23
6800 156 H 48.2064 17.48 13.2461 -0.00605861 -0.000713318 -0.00219102 23
6801 157 H 45.7543 17.6343 13.5641 -0.00302262 0.00326966 -0.00431982 23
6802 158 H 45.5904 15.9318 13.4476 0.00498429 0.00319842 0.0170771 23
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6804 160 H 44.8786 16.6889 11.336 -0.00251512 -0.00149534 0.00083856 23
6805 161 H 46.8213 14.89 11.3619 0.00400803 0.00110501 0.00419399 23
6806 162 H 47.7828 16.1198 10.6001 0.00263749 -0.0066338 -0.0150724 23
6807 163 H 45.0639 15.2455 9.61298 -0.000391427 -0.00702906 0.00206092 23
6808 164 H 46.6165 14.512 9.098 0.00960125 0.00102817 0.000321458 23
6809 165 H 47.239 16.9933 8.45004 -0.00439557 0.00416874 -0.0068979 23
6810 166 H 45.491 17.2411 8.48664 -0.0105452 -0.0129382 0.0184251 23
6811 167 H 45.1687 15.3146 6.85498 -0.00265431 0.00015091 -0.000306108 23
6812 168 H 46.931 15.1392 6.74304 -0.00676911 -0.00599703 -0.00605017 23
6813 169 H 47.177 17.4308 5.82324 0.00174484 -0.00133581 -0.014103 23
6814 170 H 45.3873 17.5889 5.79428 0.00266669 0.0053697 0.0119832 23
6815 171 H 45.2525 15.6019 4.21771 0.00334096 0.00246169 -0.0121239 23
6816 172 H 46.9696 15.3434 4.38814 -0.00551223 -0.00879183 -0.00199017 23
6817 173 H 47.2823 17.6049 3.20455 -0.000806291 0.000831217 -0.00572124 23
6818 174 H 45.5215 17.7348 3.04461 0.00656231 0.00344635 -0.00880413 23
6819 175 H 46.4831 16.8789 0.899163 -0.00779175 -0.0158289 -0.00601167 23
6820 176 H 47.4243 15.6702 1.7581 -0.00384269 -0.0166473 -0.00931377 23
6821 177 H 45.6318 15.5584 1.6265 0.0030412 -0.00454606 0.00675977 23
6822 178 H 44.8188 12.4464 15.5618 -0.000298134 -0.00290145 0.00228037 23
6823 179 H 43.3661 12.6059 14.5214 0.0015984 -0.0101113 0.0103501 23
6824 180 H 45.9287 13.9735 13.7099 0.00982569 -0.00524536 0.000432652 23
6825 181 H 45.9293 12.2165 13.6852 -0.00655984 -0.00141083 0.00826276 23
6826 182 H 43.7983 12.4214 12.2751 0.00401756 -0.000600752 0.00246436 23
6827 183 H 44.3629 14.0512 11.8464 -0.010929 -0.00179821 0.00663561 23
6828 184 H 46.5855 12.7924 11.123 0.00388967 -0.00679118 0.00613781 23
6829 185 H 45.8635 11.3669 11.6706 -0.00428396 -0.00454102 -0.00608409 23
6830 186 H 43.9887 11.5988 9.83474 -0.00570455 0.0107945 0.00433318 23
6831 187 H 44.9181 12.9031 9.20798 -0.0124104 -0.0103321 -0.0115587 23
6832 188 H 46.666 10.6167 9.82064 0.00568642 -0.0076423 -0.00343271 23
6833 189 H 45.3977 10.1252 8.70697 0.000638181 0.00165197 -0.00201625 23
6834 190 H 47.2012 12.5385 8.18052 0.00141161 -0.00399606 0.00488676 23
6835 191 H 47.4704 10.9122 7.52433 0.0052143 0.00465684 -0.00499111 23
6836 192 H 45.1128 11.0734 6.46258 0.000608543 -0.00781776 -0.00278675 23
6837 193 H 45.1916 12.7863 6.84913 0.00385266 0.00146535 0.00678751 23
6838 194 H 47.226 13.1457 5.63396 0.0028358 -0.00185858 0.00105661 23
6839 195 H 47.4847 11.4487 5.33717 -0.0090834 -0.0100585 -0.00375447 23
6840 196 H 45.2925 11.3947 4.01679 -0.0100553 0.00646768 -0.0103103 23
6841 197 H 45.165 13.1256 4.20698 -0.000503262 -0.00418672 -0.00262334 23
6842 198 H 47.1131 13.6091 2.92855 -0.000837089 -0.00174108 0.02079 23
6843 199 H 47.492 11.8556 2.68872 0.00217003 0.00562358 0.00283266 23
6844 200 H 46.409 12.84 0.594677 0.00359576 0.00781465 0.00308482 23
6845 201 H 45.4173 11.596 1.3508 -0.00741812 0.00550337 -0.0128589 23
6846 202 H 45.045 13.3118 1.58948 -0.0114703 -0.0124432 0.00692759 23
6847 203 H 41.6025 18.1315 14.1902 0.00580881 -0.00931196 0.00454369 23
6848 204 H 42.0202 19.881 13.9331 0.00233628 -0.00432713 0.00689233 23
6849 205 H 44.0668 19.0654 12.6663 0.00311702 -0.00263325 0.00501644 23
6850 206 H 43.4496 17.4282 12.7225 -0.00854523 0.000390612 -0.00533531 23
6851 207 H 41.5616 17.9983 11.3978 0.0105212 -0.00359296 -0.0046288 23
6852 208 H 41.773 19.7536 11.472 -0.00173324 0.00411027 0.00849345 23
6853 209 H 43.9456 19.4189 10.0801 0.0126978 -0.016433 0.00517373 23
6854 210 H 43.5854 17.7242 9.8925 0.00619047 0.00334782 -0.00534747 23
6855 211 H 41.558 18.1237 8.61606 0.00202856 0.00469069 -0.00495119 23
6856 212 H 41.4593 19.8017 9.17912 -0.00319581 -0.00661705 0.0114994 23
6857 213 H 43.5144 20.4113 7.93863 -0.00354784 0.0041567 -0.00419277 23
6858 214 H 43.7147 18.7823 7.37157 0.000737844 -0.000974566 0.00758 23
6859 215 H 41.1752 20.3885 6.74774 0.00174736 0.00947028 0.00436981 23
6860 216 H 42.6244 20.4661 5.7727 0.0043786 -0.00635564 -0.00182932 23
6861 217 H 41.7072 17.6826 6.34445 0.00893836 -0.00605819 -0.00423022 23
6862 218 H 40.6374 18.6059 5.36878 0.00613032 0.00293702 -0.0114165 23
6863 219 H 43.6083 18.443 4.74385 0.000256325 0.00881057 -0.0100033 23
6864 220 H 42.4843 17.2032 4.24871 0.00171132 0.00269814 0.0029376 23
6865 221 H 41.1719 18.7839 2.92049 -0.00229058 0.00456675 -0.00437316 23
6866 222 H 42.1171 20.1393 3.53855 -0.00183983 -0.00116991 -0.000329014 23
6867 223 H 42.832 19.5676 1.21118 -0.00100244 -0.000822966 0.00331242 23
6868 224 H 44.1948 19.2532 2.27404 0.00182638 -0.0130954 0.00264307 23
6869 225 H 43.6587 16.8088 2.26931 -0.0121747 -0.0117947 -0.00850428 23
6870 226 H 42.2378 17.0843 1.36236 0.000282898 -0.00514504 0.00112012 23
6871 227 H 43.8974 17.47 0.637788 0.00552974 0.00356442 0.00360998 23
6872 228 H 34.3399 18.1048 32.9149 -0.00595304 0.00233524 0.00870275 23
6873 229 H 34.2611 16.3162 33.0772 0.000476332 0.00149963 0.00122266 23
6874 230 H 35.2745 16.5521 35.3458 0.0072948 0.0102092 0.0106965 23
6875 231 H 35.0656 18.2883 35.2845 0.00325265 0.00283966 -0.00623704 23
6876 232 H 32.5254 17.557 34.5879 0.000727063 0.0012421 -0.000278293 23
6877 233 H 33.0369 16.0295 35.3371 -0.00339062 0.000113858 0.00402461 23
6878 234 H 32.6386 18.6715 36.8261 -0.00418164 0.000438583 0.00012281 23
6879 235 H 31.8639 17.0941 36.8803 0.00555928 0.00369089 0.0137023 23
6880 236 H 33.9043 16.0682 37.8904 0.000854072 0.00126554 0.00281163 23
6881 237 H 34.6423 17.6623 38.0032 -0.00139299 -0.0011449 -0.00489704 23
6882 238 H 32.6783 18.577 39.236 -0.00842132 -0.00384729 -0.0167925 23
6883 239 H 31.9257 16.9979 39.2036 -0.00309665 -0.00120402 -0.0105432 23
6884 240 H 33.7747 16.0655 40.5965 0.00617859 -0.00366817 0.00243718 23
6885 241 H 34.5312 17.6875 40.5547 0.0046679 -0.00442616 -0.0135006 23
6886 242 H 32.5967 18.55 41.9199 0.000934077 0.00328204 -0.0173623 23
6887 243 H 31.7334 17.029 41.7116 -0.00734788 0.026686 -0.00880563 23
6888 244 H 33.5922 15.8714 43.0873 -0.000586791 0.000433546 0.00655102 23
6889 245 H 34.4027 17.397 43.0753 0.00492686 0.00185435 0.00238028 23
6890 246 H 32.5415 18.4253 44.3931 0.00650513 -0.00205461 -0.0044149 23
6891 247 H 31.632 16.9012 44.4086 0.00271093 -0.00725648 -0.00691869 23
6892 248 H 33.7604 15.8248 45.4695 -0.00877056 -0.00151024 -0.0109331 23
6893 249 H 34.3688 17.4312 45.8169 0.0134474 -0.00680733 -0.000121317 23
6894 250 H 31.6939 16.2534 46.8017 0.00175719 -0.000522364 0.00128577 23
6895 251 H 33.1586 16.462 47.763 0.00108914 -0.00466483 -0.0056612 23
6896 252 H 32.2329 17.9025 47.1327 0.00384157 0.00220204 0.0131407 23
6897 253 H 41.8083 20.5502 33.6625 -0.00279883 -0.00409935 -0.000916936 23
6898 254 H 40.4091 21.5968 33.3076 0.00627234 0.00453376 -0.00211275 23
6899 255 H 39.479 20.9094 35.5261 0.000298461 -0.0187697 -0.0130555 23
6900 256 H 40.9493 19.9934 35.8946 -0.00606061 -0.00702953 -0.0051817 23
6901 257 H 42.3724 21.8197 35.6752 -0.000685233 -0.00416679 -0.00645359 23
6902 258 H 41.1547 22.9957 35.2052 -0.00112286 0.000713948 0.00227264 23
6903 259 H 40.848 23.5108 37.3903 0.00316728 0.000135012 -0.0112615 23
6904 260 H 40.0615 21.9894 37.6167 0.0059313 -0.00534159 -0.000514577 23
6905 261 H 43.1308 22.1727 37.7524 -0.000381206 0.0026671 0.00599954 23
6906 262 H 42.1554 22.8637 39.0227 0.00380215 -0.00254922 0.00985841 23
6907 263 H 41.8053 19.9975 38.1413 0.0193909 -0.00350198 -0.00358207 23
6908 264 H 43.0396 20.474 39.3721 -0.00174343 -0.013258 -0.00234091 23
6909 265 H 40.1244 21.176 39.73 -0.0040925 -0.0148993 -0.00711933 23
6910 266 H 40.7284 19.5274 40.1156 -0.0133464 0.00350169 -0.00371485 23
6911 267 H 42.4824 20.4694 41.6071 0.00702508 0.0104133 -0.00175883 23
6912 268 H 41.9235 22.1127 41.3574 -0.0126302 0.00239497 -0.00653531 23
6913 269 H 39.8221 21.5651 42.4591 0.00109811 -0.00035301 -0.00134148 23
6914 270 H 40.0569 19.8334 42.2965 0.00582901 -0.00585878 -0.00180498 23
6915 271 H 40.2937 20.5077 44.6306 -0.0145276 -0.000120563 -0.0147554 23
6916 272 H 41.8191 19.8462 43.9947 0.00763599 0.00905792 0.00184438 23
6917 273 H 42.8531 22.0821 43.8751 -0.00102469 -0.00898443 0.000490927 23
6918 274 H 41.2937 22.8348 44.165 -0.00455821 -0.00506172 0.0025485 23
6919 275 H 42.761 22.7635 46.255 0.0143355 -0.0111768 0.00369057 23
6920 276 H 41.261 21.9686 46.544 0.00633861 0.00380611 0.00994723 23
6921 277 H 42.7332 20.9902 46.1869 -0.00280884 0.000398003 0.00209472 23
6922 278 H 41.165 12.6691 33.9049 -0.00317907 0.00240574 -0.00773951 23
6923 279 H 42.2487 14.0526 34.1124 0.00159255 0.00592493 0.002471 23
6924 280 H 39.7822 13.4091 35.8544 0.00368524 -0.0027512 -0.00823451 23
6925 281 H 41.0238 14.6184 36.2382 -0.0175456 0.00397436 0.000629791 23
6926 282 H 42.5732 12.3896 35.9594 -0.00298327 -0.00746306 0.00499975 23
6927 283 H 41.1002 11.6179 36.4648 -0.00630399 -0.00181665 -0.00253582 23
6928 284 H 42.1352 14.0544 37.9948 0.00664215 0.000949208 -0.000437859 23
6929 285 H 42.9729 12.5691 38.2464 0.00498369 0.00995544 -0.00700195 23
6930 286 H 40.7351 11.466 39.063 -0.00562023 0.00419912 -0.00834836 23
6931 287 H 40.0319 13.0942 38.9443 -2.6449e-06 0.00108719 0.00873527 23
6932 288 H 42.0094 13.8597 40.348 0.00937976 0.00163551 -0.0125248 23
6933 289 H 42.3937 12.1602 40.5892 -0.00565288 -0.000977697 0.00684352 23
6934 290 H 40.1515 11.784 41.5073 0.00136731 0.00287383 -0.0195612 23
6935 291 H 39.7959 13.5078 41.5289 0.00193502 0.00536362 0.000976646 23
6936 292 H 41.9334 13.8346 42.9076 0.00840223 -0.00228485 0.000215252 23
6937 293 H 42.0427 12.0678 43.1372 -0.0080039 -0.004633 0.00683644 23
6938 294 H 40.1334 11.8712 44.404 0.00292122 -0.000777179 0.00240491 23
6939 295 H 39.5156 13.5426 43.9124 0.00305461 0.000445764 -0.00530282 23
6940 296 H 40.0765 13.6515 46.1236 -0.00388448 -0.0071046 -0.010437 23
6941 297 H 41.2743 14.5617 45.2247 0.00867439 -0.00147843 -0.00187349 23
6942 298 H 42.5165 13.3615 46.9252 -0.000888335 -0.00236623 0.00473028 23
6943 299 H 42.8257 12.4741 45.4888 -0.00309638 -0.00519678 -0.00267553 23
6944 300 H 40.806 10.9001 46.2925 0.00547431 0.00659135 -0.0047114 23
6945 301 H 40.8482 11.928 47.7416 -0.00528251 0.00934114 -0.0037837 23
6946 302 H 42.2457 10.9256 47.3409 -0.00186606 -0.00380121 0.000814324 23
6947 1 C 44.7065 27.4248 31.2474 0.00202655 0.000503772 0.00150382 24
6948 2 C 44.8365 27.3443 29.8564 0.000896061 -0.00653261 -0.002833 24
6949 3 C 44.3537 26.2 29.1815 0.00449699 -0.00100512 0.00294404 24
6950 4 C 43.7644 25.1527 29.878 0.00408062 -2.85126e-05 -0.00310197 24
6951 5 C 43.5303 25.2799 31.2518 0.00100785 0.00291269 0.00105912 24
6952 6 C 43.9807 26.4469 31.9411 -0.00352257 0.00151466 0.00162682 24
6953 7 C 39.1763 23.7634 30.5936 -0.00108593 0.00115317 0.00198675 24
6954 8 C 39.3905 23.6945 29.187 -0.00530422 0.00128735 0.00487961 24
6955 9 C 40.7132 23.6628 28.6797 -0.000741774 0.00335532 -0.00212009 24
6956 10 C 41.7795 23.7563 29.5938 0.000988467 -0.000227959 -0.00203272 24
6957 11 C 41.5448 23.8668 30.9995 0.000604066 0.00138829 -0.000740486 24
6958 12 C 40.24 23.8876 31.5333 0.00282926 0.00166078 0.000689931 24
6959 13 C 44.7863 20.6329 31.7128 -0.00433415 -0.00247974 -0.00170439 24
6960 14 C 45.006 20.5973 30.349 -0.00119471 -0.00109677 -0.00433223 24
6961 15 C 44.4569 21.5817 29.5385 0.00205874 0.00211776 0.000208501 24
6962 16 C 43.7998 22.6766 30.0689 0.00182246 -0.00334566 -0.00153214 24
6963 17 C 43.2316 23.8345 29.2459 0.0022115 0.00176431 0.00392554 24
6964 18 O 43.9287 21.7802 33.648 0.00145233 -0.00186066 0.000218696 24
6965 19 O 40.0416 23.9018 32.913 -0.0015307 0.00143521 0.00184412 24
6966 20 O 43.7454 26.5221 33.3077 0.000705358 -0.00520313 -0.00235605 24
6967 21 C 44.0682 21.7222 32.2963 0.00210296 -0.000930207 -0.000508692 24
6968 22 C 43.5915 23.7451 27.7983 -0.0041434 0.000496867 0.00278941 24
6969 23 C 44.1339 23.6142 26.7197 -0.00182954 -0.00327285 -0.000677455 24
6970 24 C 44.944 23.5414 25.5394 -0.00112061 -0.00042236 0.00205343 24
6971 25 C 46.1759 22.8896 25.4926 0.0056783 -0.000695766 0.00117168 24
6972 26 C 47.0007 22.9106 24.3303 -0.000930733 -0.00462783 0.00129188 24
6973 27 C 46.5802 23.6963 23.2367 -0.00317126 0.000265259 -0.00109011 24
6974 28 C 45.3478 24.3922 23.2627 -0.0026182 -0.00708059 -0.000358768 24
6975 29 C 44.5304 24.2558 24.4 -0.000400199 -0.00189789 8.74437e-05 24
6976 30 C 47.2885 23.7414 21.9985 0.000199618 0.000101912 -0.00440694 24
6977 31 C 47.7541 23.7812 20.8911 -0.00220377 -0.00340262 -0.000562289 24
6978 32 C 46.2804 20.4308 18.6725 0.00123827 -7.09388e-06 -0.00153414 24
6979 33 C 46.273 20.5049 17.2823 -0.000203474 0.000577799 -0.00051212 24
6980 34 C 46.861 21.6085 16.5955 0.0011934 -0.000385353 0.00256586 24
6981 35 C 47.4771 22.6069 17.3892 0.00135113 -0.00208836 0.00116347 24
6982 36 C 47.3871 22.5999 18.7757 -0.000128273 -0.000740642 -0.00108306 24
6983 37 C 46.8081 21.4886 19.4202 -0.000177259 -0.000205633 0.000597027 24
6984 38 C 48.09 23.7933 19.4764 -0.00249021 -0.00243453 0.000810072 24
6985 39 C 51.9368 23.7217 19.0734 0.00229423 0.00202609 -0.00209857 24
6986 40 C 52.0572 23.6129 17.6586 -0.00107519 -0.000587878 0.0033575 24
6987 41 C 50.8694 23.6063 16.9085 -0.000505707 0.003258 -0.00101442 24
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7062 116 C 44.7305 28.5652 45.7415 0.00308021 0.000593752 0.00553729 24
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7075 129 C 45.2062 20.2923 47.117 0.000384009 -0.00132114 -0.00457178 24
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7252 4 C 0.791193 31.9446 29.7525 0.00170792 -0.000534094 1.05406e-05 25
7253 5 C 0.534848 31.971 31.1311 -0.00124127 0.000767181 0.00280828 25
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7256 8 C -3.62983 30.5735 28.8655 0.00194492 0.00452398 0.000746445 25
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7264 16 C 0.841525 29.5195 29.7955 0.000994723 0.000869585 9.65134e-05 25
7265 17 C 0.200518 30.6923 29.036 6.46664e-05 0.00474502 0.0029072 25
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7364 116 C 1.3061 35.1822 44.7537 0.00315451 0.0010947 0.00259397 25
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7374 126 C 2.85866 26.9874 43.2573 -0.000596212 -3.67607e-05 0.000143602 25
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7893 41 C 15.8805 31.0647 17.3129 0.00172294 6.7589e-05 0.00403365 27
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7929 77 C 14.0907 24.9951 6.54312 0.000274713 -0.000700443 -0.0016295 27
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7936 84 C 10.7663 32.1739 12.0036 -0.00340301 0.00145308 0.00603301 27
7937 85 C 11.4004 32.4281 10.5708 -0.00156478 0.00040952 0.0027787 27
7938 86 C 10.345 32.8044 9.52133 0.00248735 -0.000586928 0.00329044 27
7939 87 C 10.9064 32.9199 8.07999 0.000864281 -0.00164003 0.000525474 27
7940 88 C 11.0276 31.5525 7.42088 -0.00110288 -0.00663562 -0.00119033 27
7941 89 C 11.3801 31.6087 5.95308 -0.00437124 0.00329255 0.000473558 27
7942 90 C 10.3268 32.3576 5.10155 9.06371e-05 0.000892757 -0.00898985 27
7943 91 C 10.4612 31.9793 3.61641 0.00482688 -0.00230182 0.00296045 27
7944 92 C 11.6833 32.6287 2.98829 0.00579553 -0.00225993 -0.00205085 27
7945 93 C 11.8377 32.1775 1.54221 0.00280307 0.000990439 -0.000517859 27
7946 94 C 3.51249 31.4353 33.516 0.000552274 0.00332545 -0.00073366 27
7947 95 C 3.40206 31.1554 35.0241 0.000695593 0.000155873 -0.00306419 27
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7950 98 C 2.53489 31.3412 38.1081 -0.002068 -0.000613018 0.00328912 27
7951 99 C 2.0464 30.6207 39.4046 -0.00390756 -0.000422677 -0.00161502 27
7952 100 C 2.82139 30.8527 40.7202 -0.000374684 0.000818886 0.000501594 27
7953 101 C 1.90554 30.4924 41.9134 -9.94438e-05 -0.00346478 -0.00103622 27
7954 102 C 2.57929 30.6017 43.2715 -0.00132283 0.00100358 -0.000898223 27
7955 103 C 1.54024 30.4554 44.3892 0.00208747 0.00237845 -0.0013961 27
7956 104 C 2.09354 30.6557 45.8196 -5.72901e-05 0.000926456 0.000577138 27
7957 105 C 0.989278 30.4145 46.8825 0.000600357 -0.000793357 0.00192781 27
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7959 107 C 9.15591 34.7267 35.1824 -9.62315e-05 -0.000357414 0.000376887 27
7960 108 C 10.3039 35.5899 35.7381 -0.000171604 0.00233041 -0.00353379 27
7961 109 C 10.1189 35.9967 37.2241 8.30929e-05 -0.00150352 0.00128182 27
7962 110 C 10.3584 34.7853 38.1898 -0.00230474 -0.000847928 -0.00333874 27
7963 111 C 10.5979 35.1764 39.6974 -0.00275983 0.0024756 0.00461639 27
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7965 113 C 9.81525 36.433 41.7454 0.00217052 0.00045971 0.000423316 27
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7978 126 C 9.99053 25.6484 44.1129 -0.00118216 -0.00244193 0.00474962 27
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8162 8 C 8.16181 37.1285 29.3416 -0.00220857 -0.0016705 0.00135022 28
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8170 16 C 12.6593 36.1496 29.9019 0.000656212 -0.00386073 -0.000213428 28
8171 17 C 12.003 37.3941 29.2444 -0.00014213 -0.00423964 0.00147862 28
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8182 28 C 14.6233 36.2157 23.7188 -0.00220978 0.000141073 -0.00321085 28
8183 29 C 13.7966 36.2199 24.8357 -0.00153261 0.00556592 0.00177015 28
8184 30 C 16.0613 37.4213 22.0881 -0.000388705 0.00225713 0.000589965 28
8185 31 C 16.4979 37.4126 20.9632 -0.00138284 0.00687849 0.00157492 28
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8187 33 C 14.8908 34.4225 17.1471 -0.00441865 0.000682946 -0.000594002 28
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8191 37 C 15.3396 35.2639 19.3664 0.00019565 -0.00467507 -0.000311976 28
8192 38 C 16.7717 37.4626 19.5403 -0.002355 0.001807 0.000211088 28
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8194 40 C 20.822 37.4671 17.9701 -0.000911172 -0.003571 0.0019567 28
8195 41 C 19.6991 37.4747 17.1483 -0.00176955 0.00092678 0.00386652 28
8196 42 C 18.4146 37.4728 17.7175 0.0011291 -0.00095641 -0.000838101 28
8197 43 C 18.2547 37.4551 19.1262 -0.00505719 -0.00166988 -0.0035259 28
8198 44 C 19.3913 37.445 19.9499 -3.75141e-05 -0.00132046 -0.00343142 28
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8200 46 C 15.3114 40.9243 17.3953 -0.00358759 0.000537019 0.000471409 28
8201 47 C 15.8939 39.8314 16.7566 -0.00120201 -0.00209073 0.000924013 28
8202 48 C 16.3875 38.7628 17.5106 0.00305822 -1.02079e-05 0.000859954 28
8203 49 C 17.1163 37.5371 16.9495 0.00295273 -0.000789525 -0.00065744 28
8204 50 C 16.1787 38.7134 18.9057 0.00103549 -0.00337352 -0.00056477 28
8205 51 C 15.4931 39.7635 19.5423 0.0003365 0.00111717 -0.000807962 28
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8211 57 C 20.5042 36.3962 15.1117 0.00091689 0.00295776 0.000261401 28
8212 58 C 19.6004 35.7292 14.1031 -0.00331306 -0.00462314 0.000561721 28
8213 59 C 19.3268 36.6614 12.8899 -0.000925296 -0.00233692 0.00130514 28
8214 60 C 19.0152 35.9601 11.5771 -0.000458377 -0.00502352 -0.0022199 28
8215 61 C 18.7299 37.0176 10.4603 0.000357943 0.000367583 -0.000124088 28
8216 62 C 18.7351 36.4534 9.01739 0.00443904 0.00394599 0.00253148 28
8217 63 C 18.6298 37.5484 7.88809 -0.000351957 0.00280922 -0.00240576 28
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8219 65 C 18.3488 37.7655 5.35538 -0.00430139 -0.00229377 0.00198652 28
8220 66 C 18.5709 37.0839 3.97813 0.00545899 -0.000663648 -0.0061303 28
8221 67 C 18.1063 38.073 2.85959 0.000598596 -0.00427945 0.00130915 28
8222 68 C 18.1236 37.4091 1.46611 0.00266734 0.00252219 -0.00298109 28
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8225 71 C 15.5863 35.3021 12.9275 -0.00119877 0.00128119 0.000327837 28
8226 72 C 15.346 34.407 11.6806 0.00115627 -0.000753152 -0.00189989 28
8227 73 C 15.0875 35.219 10.4017 -0.00238528 -0.000497613 -0.00452403 28
8228 74 C 14.8591 34.4108 9.13215 -0.00530583 0.00505688 0.000846003 28
8229 75 C 14.7758 35.3071 7.88768 0.0032826 -0.00371936 0.00273918 28
8230 76 C 14.7676 34.5227 6.54437 0.00342775 0.000617165 0.00233389 28
8231 77 C 15.0268 35.4408 5.32994 -1.91697e-05 0.00104642 -0.00366183 28
8232 78 C 14.8884 34.771 3.96246 0.000334998 -0.000920712 -0.00717485 28
8233 79 C 14.8774 35.8136 2.85626 0.00148628 -0.0019003 0.00106719 28
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8235 81 C 14.4976 36.3878 0.383107 -0.00045897 -0.00146113 0.00128959 28
8236 82 C 17.2673 40.0703 14.7332 -0.00095242 -0.000641192 -0.00234831 28
8237 83 C 17.0434 39.9425 13.2492 0.00173974 0.00143858 0.00127567 28
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8239 85 C 18.307 41.7737 11.9211 0.00155243 0.00231334 0.000501115 28
8240 86 C 19.0577 42.1066 10.6353 0.00383457 0.000762647 -0.000663124 28
8241 87 C 18.4439 41.441 9.34523 7.45233e-05 -0.00230767 0.000420384 28
8242 88 C 19.1433 41.9124 8.0743 -8.37231e-05 -0.00126628 -0.002635 28
8243 89 C 18.3291 41.5007 6.82248 -0.0054102 -0.00495708 0.000164061 28
8244 90 C 18.9118 42.0299 5.4963 -0.00480353 0.00541064 -0.00366656 28
8245 91 C 18.1142 41.5683 4.28541 0.00562277 -0.00195653 -0.00071493 28
8246 92 C 18.6351 42.2012 3.009 0.00536271 0.00198212 0.00161303 28
8247 93 C 18.0692 41.713 1.67324 0.00257588 -0.00239414 0.000112219 28
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8249 95 C 7.56052 37.894 35.0754 0.00193641 0.00258101 -0.00271528 28
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8251 97 C 6.30311 38.1608 37.291 0.00116707 0.0032633 -0.000711888 28
8252 98 C 6.02641 37.3583 38.5702 -0.00103016 0.00223366 0.00037628 28
8253 99 C 6.15639 38.1796 39.9108 -0.000641166 -0.0074356 -0.0027724 28
8254 100 C 5.83167 37.2547 41.1001 -0.00140559 0.00104691 0.00137938 28
8255 101 C 5.99408 37.9332 42.4498 0.00327915 -2.66068e-06 -0.00307663 28
8256 102 C 5.66361 36.9516 43.6182 0.000519881 -0.00154128 -0.000308321 28
8257 103 C 6.23025 37.4096 44.9896 -9.12336e-05 -0.00363772 -0.000867702 28
8258 104 C 5.97659 36.2855 46.0518 -0.000511656 -0.00179903 0.000543088 28
8259 105 C 6.91205 36.3626 47.2708 0.00115522 0.00206626 -0.000618668 28
8260 106 C 13.6935 40.0509 34.4383 -0.00108052 -0.00160282 -0.00110619 28
8261 107 C 13.504 41.4499 35.1057 -0.00695453 -0.00171451 0.000706502 28
8262 108 C 14.1316 41.4711 36.4968 0.000307453 -0.00191709 0.000234687 28
8263 109 C 13.6 42.5528 37.4608 0.000346057 0.000418527 0.00112089 28
8264 110 C 14.2187 42.568 38.8532 -6.56546e-05 1.81038e-05 0.00339462 28
8265 111 C 13.8855 41.3464 39.7348 0.00272931 0.00115556 -0.00419224 28
8266 112 C 13.1125 41.6339 41.0328 -0.000847448 0.000968235 0.00375123 28
8267 113 C 14.0438 42.2419 42.1173 0.000727861 0.00366914 -0.00149331 28
8268 114 C 13.318 42.3335 43.4876 -0.000660031 -0.0028191 0.000554015 28
8269 115 C 14.2197 42.6424 44.6453 0.000870929 0.00201638 -0.000472438 28
8270 116 C 13.5241 42.6407 46.0629 -0.000668446 0.0058252 -0.000245064 28
8271 117 C 14.6151 42.7843 47.1565 0.000355563 -0.00358241 0.00190143 28
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8273 119 C 13.8229 33.0794 34.5735 -0.00213534 -0.000709758 0.00567056 28
8274 120 C 13.5792 32.9925 36.07 -0.00464537 0.000468166 0.00149573 28
8275 121 C 14.589 32.1524 36.8319 -0.00239229 0.000963855 -0.00178291 28
8276 122 C 14.1985 31.8645 38.2947 -0.00073291 -0.00173668 0.000845798 28
8277 123 C 14.2803 33.1202 39.2104 0.000217269 0.000680212 -0.00264072 28
8278 124 C 14.3166 32.6617 40.7347 -0.00131271 0.00190709 0.00265345 28
8279 125 C 14.3654 33.8733 41.6918 4.31828e-05 -0.00215999 -0.00302852 28
8280 126 C 14.4462 33.4185 43.1954 -0.0041574 0.00208275 -0.00262967 28
8281 127 C 14.4708 34.6875 44.1371 0.00114474 -0.00371412 -0.00350608 28
8282 128 C 14.65 34.3486 45.6287 0.00155033 -0.00100861 0.00208969 28
8283 129 C 13.6623 33.3757 46.1943 -0.00268134 0.000945584 -0.00141334 28
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8349 195 H 13.961 34.1888 3.89577 0.0018802 -0.00496035 0.00677134 28
8350 196 H 14.0778 36.553 2.98755 0.00595028 0.00052957 0.0144055 28
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8375 221 H 18.1916 40.4784 4.18752 -0.00192134 -0.00397019 0.0159953 28
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8389 235 H 5.51144 38.9136 37.1916 -0.00822192 -0.00532674 0.00911324 28
8390 236 H 4.98963 37.0036 38.5185 -0.00548456 0.0157319 -0.00342561 28
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8392 238 H 7.15617 38.613 40.0374 -0.00230079 -0.00331227 -0.00376158 28
8393 239 H 5.45438 39.0214 39.8663 -0.00357291 -0.00960698 0.00251795 28
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8397 243 H 5.43524 38.8761 42.4936 -0.0171826 -0.0116366 -0.0142931 28
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8399 245 H 6.10679 35.9715 43.4028 0.00900897 0.00473195 -0.0113897 28
8400 246 H 7.3044 37.63 44.9571 -0.00213906 0.00609806 -0.00264001 28
8401 247 H 5.79003 38.3646 45.3021 -0.00662501 -0.0078912 0.00289715 28
8402 248 H 4.93105 36.3585 46.3758 0.00228789 0.0158799 0.00564373 28
8403 249 H 6.11724 35.332 45.5278 0.00343754 0.00707467 -0.0146303 28
8404 250 H 6.95435 37.3789 47.6816 -0.00597993 0.00552609 -0.00847623 28
8405 251 H 6.52914 35.7444 48.0922 0.016211 -0.0134091 -0.00529318 28
8406 252 H 7.95406 36.1105 47.0383 -0.00429854 -0.0179561 -0.00319367 28
8407 253 H 13.5421 39.3249 35.2467 -0.0138508 0.0107072 0.00754673 28
8408 254 H 14.7107 39.9761 34.0343 -0.00115188 0.0202918 -0.00539962 28
8409 255 H 13.986 42.1805 34.4443 0.00904436 -0.00345451 0.0104596 28
8410 256 H 12.4465 41.7351 35.1677 -0.00340247 0.0110623 0.00268845 28
8411 257 H 13.9981 40.4778 36.9428 0.00131313 -0.0103975 -0.0182981 28
8412 258 H 15.1952 41.6562 36.3022 0.00219503 -0.000322237 0.0121863 28
8413 259 H 13.7477 43.5295 36.9837 0.0159071 -0.00548434 -0.00612351 28
8414 260 H 12.5216 42.3963 37.5869 0.000260029 -0.00177073 -0.00233124 28
8415 261 H 15.2918 42.6212 38.632 -0.00203704 -0.00492863 -0.00746538 28
8416 262 H 13.9553 43.4775 39.4072 -0.00448694 0.00286919 -0.00340498 28
8417 263 H 13.3824 40.5489 39.1741 -0.02058 0.00766079 0.00749919 28
8418 264 H 14.8485 40.8962 40.0058 0.00147817 0.00124317 0.000387057 28
8419 265 H 12.2758 42.3167 40.8403 0.00488296 0.00689325 -9.58997e-05 28
8420 266 H 12.6757 40.7054 41.4206 -0.017088 0.00914862 0.00505893 28
8421 267 H 14.977 41.6668 42.1612 0.00413218 0.00810243 -0.0149868 28
8422 268 H 14.3569 43.235 41.7721 0.00323049 0.00600689 0.00753627 28
8423 269 H 12.5371 43.1033 43.4564 0.00628183 0.00371208 -0.0123371 28
8424 270 H 12.8474 41.3562 43.6514 0.00805457 -0.00950591 -0.0141451 28
8425 271 H 15.0007 41.8744 44.7051 0.0152425 0.016258 -0.00580125 28
8426 272 H 14.71 43.6078 44.4686 0.000316028 0.00418385 0.00975627 28
8427 273 H 12.8079 43.4619 46.1903 -0.000499816 0.00489704 0.00672706 28
8428 274 H 12.9609 41.7185 46.2524 -0.00924572 0.0108263 -0.00140437 28
8429 275 H 15.0432 43.7938 47.1875 -0.0114518 0.00153321 -0.00196196 28
8430 276 H 14.1976 42.5856 48.1513 -0.0071791 0.00496816 0.000444636 28
8431 277 H 15.4652 42.1037 47.0239 0.00613625 0.00191283 0.0106084 28
8432 278 H 11.6755 33.3678 34.5245 -0.00120484 0.00262608 0.00187478 28
8433 279 H 12.3361 32.7806 33.0144 -0.00570675 -0.0112806 0.0103175 28
8434 280 H 14.5638 33.8742 34.4228 -0.00105918 -0.00553332 -0.0142553 28
8435 281 H 14.2157 32.1266 34.1975 0.00476294 0.00710573 -0.00691376 28
8436 282 H 12.5761 32.6238 36.3173 -0.00551298 -0.0003584 -0.00327352 28
8437 283 H 13.5803 34.0006 36.5026 -0.0138176 -0.00268091 0.00887084 28
8438 284 H 15.5836 32.6148 36.8555 0.00271852 -0.0100247 -0.00107996 28
8439 285 H 14.7631 31.1982 36.3195 -0.00148205 -0.000210186 0.000706531 28
8440 286 H 14.9694 31.1887 38.6852 0.00138715 -0.00512432 -0.00922155 28
8441 287 H 13.2465 31.3366 38.4299 -0.000906804 -0.000227224 0.00558017 28
8442 288 H 13.4718 33.8435 39.047 -0.00249721 -0.000126342 0.007176 28
8443 289 H 15.2042 33.6766 39.0098 0.0027563 -0.00109753 0.00409874 28
8444 290 H 15.111 31.9198 40.8828 0.00511465 0.00678436 -0.00739264 28
8445 291 H 13.4057 32.088 40.9458 0.00812161 -0.0140576 5.24584e-05 28
8446 292 H 13.4922 34.5277 41.5794 -0.0110928 -0.019384 -0.0163115 28
8447 293 H 15.2321 34.5156 41.4928 -0.00428945 0.00547022 0.00265249 28
8448 294 H 15.3227 32.7697 43.3144 -0.00140632 0.00435024 -0.0105261 28
8449 295 H 13.6317 32.7245 43.4369 0.00508666 -0.00659002 0.00377097 28
8450 296 H 13.5352 35.2344 43.9667 0.00222782 0.000363432 0.00371633 28
8451 297 H 15.3153 35.2889 43.7787 -0.00425418 0.00816778 0.00383104 28
8452 298 H 14.5383 35.3077 46.1493 0.00167243 -0.00734424 0.0137457 28
8453 299 H 15.6796 34.028 45.8301 -0.00010677 -0.00184569 0.00921433 28
8454 300 H 12.6628 33.8183 46.1024 -0.00378954 -0.000308836 0.00465555 28
8455 301 H 13.8727 33.228 47.2608 0.00174412 0.0072542 -0.00140289 28
8456 302 H 13.6261 32.4385 45.6254 0.0153496 0.00344686 -0.0066489 28
8457 1 C 17.439 33.9745 31.191 -0.000365249 -0.000931094 -0.00304422 29
8458 2 C 17.6112 33.8406 29.8334 -0.00166979 -0.00339429 0.00240004 29
8459 3 C 17.1325 32.7228 29.1955 0.000746287 0.000266898 0.0027692 29
8460 4 C 16.521 31.6817 29.9145 0.00135189 -6.52693e-05 -0.00649742 29
8461 5 C 16.3629 31.7474 31.3467 -0.00143558 0.000797585 -0.00346404 29
8462 6 C 16.8473 32.9345 31.9854 0.00352044 -0.00139786 0.000726255 29
8463 7 C 11.826 30.3845 30.7199 0.000655374 0.00586964 -0.00178637 29
8464 8 C 11.9738 30.3706 29.3338 -0.000133005 0.00081515 0.00389963 29
8465 9 C 13.2787 30.4112 28.8283 0.00132766 -0.0023439 -0.00138299 29
8466 10 C 14.3736 30.5016 29.7136 0.000484099 0.000251077 0.00209473 29
8467 11 C 14.1977 30.5721 31.109 -0.000529519 0.00011564 0.00190486 29
8468 12 C 12.889 30.4852 31.6252 -0.00235696 0.00435597 0.000607988 29
8469 13 C 17.3786 27.1171 31.5076 0.00315947 0.0027767 -0.000895185 29
8470 14 C 17.6036 27.1556 30.1482 0.00399534 -0.000194956 -0.00165673 29
8471 15 C 17.0911 28.1875 29.4147 0.00120087 0.000628212 0.00205704 29
8472 16 C 16.4149 29.2113 30.0631 0.00308489 -0.00217726 -0.000681713 29
8473 17 C 15.8383 30.4316 29.2878 -0.000868248 0.00115416 0.000277457 29
8474 18 O 16.7402 28.1325 33.611 0.000578042 -2.6265e-06 -0.000276255 29
8475 19 O 12.6469 30.4516 33.0011 0.00231666 -0.0013704 -0.00363094 29
8476 20 O 16.7152 33.1527 33.3626 -0.00208413 0.00138466 0.000339106 29
8477 21 C 16.786 28.1766 32.2227 0.00255472 -0.00120459 0.00438719 29
8478 22 C 16.1026 30.4175 27.8346 0.00637544 -0.00152212 0.000847957 29
8479 23 C 16.548 30.4817 26.7319 -0.00163182 -0.00137237 -0.00487798 29
8480 24 C 17.2941 30.6396 25.533 -0.000760886 0.00522854 -0.00323137 29
8481 25 C 17.5252 31.8935 24.9702 -0.00159236 0.00117837 -0.00142199 29
8482 26 C 18.4785 32.1005 23.9713 -4.9099e-05 0.00314976 -0.00604357 29
8483 27 C 19.2271 30.985 23.5393 -0.00084118 -4.91714e-05 0.000622315 29
8484 28 C 19.0511 29.7444 24.1575 0.000828995 0.0009376 -0.0031855 29
8485 29 C 18.0859 29.5527 25.1031 0.000141557 -3.19949e-05 -0.0042731 29
8486 30 C 20.0511 30.9893 22.3329 0.00132543 0.00348853 -0.000396044 29
8487 31 C 20.519 30.9112 21.2404 0.00437137 0.00333885 0.0019191 29
8488 32 C 19.1419 27.4086 19.2661 0.00333836 0.00363232 -0.00101271 29
8489 33 C 19.4454 27.2566 17.9168 -0.00365762 0.00532132 -0.000557694 29
8490 34 C 20.0465 28.2807 17.1537 -0.00173601 -0.0012227 -0.00361429 29
8491 35 C 20.3973 29.5048 17.7666 0.000333688 0.000333967 -0.000628237 29
8492 36 C 20.206 29.6307 19.2046 -0.000614843 0.000192665 -0.000275493 29
8493 37 C 19.5315 28.5917 19.9059 -0.000344429 -0.00126716 0.00309021 29
8494 38 C 20.7975 30.8547 19.7993 0.00174904 7.23997e-05 0.00224891 29
8495 39 C 24.6539 30.7543 19.6059 0.00163986 0.00116785 0.00187996 29
8496 40 C 24.7669 30.7014 18.1964 -0.00114591 4.48349e-05 -0.00242383 29
8497 41 C 23.6393 30.7613 17.3394 -0.00528421 -0.00283924 -0.00178604 29
8498 42 C 22.3745 30.7903 17.9163 -0.00102037 -0.00129495 -0.00125145 29
8499 43 C 22.2543 30.8657 19.3244 -0.0038839 0.00331982 -1.53634e-05 29
8500 44 C 23.3865 30.8703 20.1331 -0.000359795 5.06808e-05 0.000968468 29
8501 45 C 18.9722 34.0941 18.7443 0.00120691 0.00194821 0.00133474 29
8502 46 C 19.1287 34.0013 17.3446 -0.00187521 0.00257187 0.000211758 29
8503 47 C 19.9053 32.9462 16.8058 -0.00301246 -0.00193874 -0.00119473 29
8504 48 C 20.3433 31.9272 17.6471 0.000278231 0.00264297 0.00244454 29
8505 49 C 21.0643 30.6926 17.1518 -7.45315e-05 0.00345633 -0.0026682 29
8506 50 C 20.1347 31.9962 19.0367 0.00095516 -0.00252857 -0.00529568 29
8507 51 C 19.5154 33.1334 19.5772 -0.00427023 -0.00100556 -0.000993182 29
8508 52 O 23.8059 30.8957 15.9944 -0.00066506 -0.000410374 -0.00224146 29
8509 53 O 20.4569 27.9959 15.8724 -0.00174828 -0.0015796 0.00307242 29
8510 54 O 20.0907 32.8354 15.4571 -0.00577278 -0.00117978 0.0012769 29
8511 55 C 15.5283 30.5739 31.9361 -0.00159555 -0.000637193 0.00391213 29
8512 56 C 16.2753 29.2662 31.4573 -0.000381035 0.00495231 0.00279194 29
8513 57 C 23.4673 29.856 15.0596 -0.00168709 0.00170427 0.000292455 29
8514 58 C 23.1732 30.6002 13.7663 -0.00149308 -0.00230188 -0.00068805 29
8515 59 C 22.5263 29.7942 12.6417 0.00261819 -0.000626011 -0.00116445 29
8516 60 C 22.5161 30.6265 11.3319 -0.00156377 -0.00390489 0.00153479 29
8517 61 C 21.9989 29.8428 10.0412 0.000828436 0.00360638 0.0016887 29
8518 62 C 21.9283 30.8833 8.88545 0.00320576 -0.00658057 0.00169474 29
8519 63 C 21.5932 30.3951 7.46602 0.0022821 -0.000597461 0.00129065 29
8520 64 C 22.8265 30.023 6.64333 -0.00135543 0.00139341 -0.00126494 29
8521 65 C 22.7417 30.3026 5.13024 0.000971421 -0.00270694 -0.00136517 29
8522 66 C 21.5134 29.759 4.34181 -0.00131051 -0.00152116 0.00292662 29
8523 67 C 21.6804 30.1851 2.88955 -0.000267897 0.00312324 -0.00527685 29
8524 68 C 20.5662 29.5309 2.05791 0.00159415 -0.00228415 0.000122481 29
8525 69 F 18.6294 33.3476 23.4878 0.00189936 -0.000803968 -0.00270094 29
8526 70 C 21.0764 26.749 15.4768 -0.000116697 -0.00083782 0.000379262 29
8527 71 C 21.7433 26.8605 14.0945 0.00103609 -0.000230143 -0.000948752 29
8528 72 C 22.1461 25.4435 13.638 0.00126804 -0.00226947 0.00744299 29
8529 73 C 22.7428 25.401 12.2163 -0.00247456 -0.0029832 0.00213592 29
8530 74 C 21.9453 26.0049 11.0523 0.00205314 0.00302832 -0.00375712 29
8531 75 C 22.3731 25.4101 9.68152 -0.00704472 0.000469691 0.00304139 29
8532 76 C 21.8947 26.0664 8.4218 0.00226948 0.00666995 2.0386e-06 29
8533 77 C 22.4458 25.3696 7.15384 0.000415566 -0.000890357 0.00194227 29
8534 78 C 22.0545 26.1313 5.81474 0.000355035 -0.00236008 -0.00261202 29
8535 79 C 22.6407 25.4197 4.5757 -0.000382683 -0.00057068 -0.00246516 29
8536 80 C 22.479 26.2456 3.27236 -0.000373168 0.00203135 -0.000198244 29
8537 81 C 23.181 25.541 2.07807 -0.00148688 0.00629385 -0.00101636 29
8538 82 C 19.1283 31.9826 14.8215 0.000930302 0.00147062 -0.00145199 29
8539 83 C 19.5396 31.6084 13.3658 -0.00106726 0.00237593 0.000798967 29
8540 84 C 19.036 32.5616 12.2234 -0.000149024 0.00421321 0.00209027 29
8541 85 C 18.796 31.8325 10.8802 -0.00280658 0.00223208 -0.00360129 29
8542 86 C 18.6347 32.8532 9.66166 0.00299619 -0.00027311 0.00339755 29
8543 87 C 18.4587 32.1734 8.30625 0.00270806 -0.00121011 -0.00205035 29
8544 88 C 18.505 33.3247 7.25154 0.00113626 0.000442374 0.00309479 29
8545 89 C 18.8231 33.0098 5.77923 0.00500849 0.000970032 0.00668692 29
8546 90 C 17.8535 32.1704 4.97309 -0.00540514 0.000687886 0.00285731 29
8547 91 C 18.2228 32.3317 3.4996 0.00127407 -0.00265778 0.000591241 29
8548 92 C 17.4908 31.3763 2.51738 0.000876131 -0.00414274 0.000464328 29
8549 93 C 16.17 31.9819 1.94197 0.00176806 0.00329486 0.000226481 29
8550 94 C 11.3274 30.3021 33.4552 0.00181623 0.000898678 0.0020721 29
8551 95 C 11.1919 30.3448 35.0015 0.000328972 0.00210837 0.000734037 29
8552 96 C 9.82201 30.8959 35.5062 -0.00423173 0.0012489 0.00148905 29
8553 97 C 9.77682 31.4764 36.9332 -0.00305081 0.000492143 0.00234051 29
8554 98 C 10.0239 30.5285 38.1378 0.00418119 -0.000260959 0.00188623 29
8555 99 C 10.3649 31.3456 39.4179 0.00072968 0.005601 0.00425227 29
8556 100 C 10.5025 30.5621 40.7451 -0.00271456 -0.000218396 0.0012811 29
8557 101 C 10.5954 31.499 41.9546 -0.00154001 0.000484923 0.000654805 29
8558 102 C 10.6301 30.7868 43.3297 -0.00170461 0.000645565 -0.00206636 29
8559 103 C 10.5139 31.7838 44.5046 -0.00212724 -0.000167496 0.00175447 29
8560 104 C 10.2822 31.0873 45.8495 0.000946151 -0.00138434 -0.000131829 29
8561 105 C 10.091 32.0041 47.0605 0.00149001 -0.00531234 -0.00357234 29
8562 106 C 17.3417 34.2793 34.0063 -0.00174797 -0.00184817 0.00125058 29
8563 107 C 17.1279 34.3004 35.5326 -0.00248435 -0.00271819 -0.00189637 29
8564 108 C 17.9582 35.419 36.1863 0.00433005 0.00141041 -0.000157486 29
8565 109 C 17.4971 35.6252 37.6341 -0.00202331 0.00200506 0.00542269 29
8566 110 C 18.7349 36.12 38.4207 -0.000494734 0.00542516 0.00150045 29
8567 111 C 18.4169 36.5433 39.8283 -0.000682488 0.00192065 -0.000149148 29
8568 112 C 18.2915 35.3085 40.7383 -0.00121562 -0.000964827 0.00164665 29
8569 113 C 18.2459 35.8242 42.1825 0.00653473 0.00226988 0.000652248 29
8570 114 C 18.2133 34.6428 43.145 0.0010065 0.00246225 -0.000272454 29
8571 115 C 18.4253 35.0856 44.6185 -0.000355307 0.00170308 -0.00048259 29
8572 116 C 18.3857 33.9792 45.6708 3.05001e-05 -0.0020037 -0.00494874 29
8573 117 C 18.2297 34.4967 47.0764 0.00297715 0.000133177 -0.00425472 29
8574 118 C 17.129 26.8942 34.3155 -0.00403205 0.00238418 0.00506916 29
8575 119 C 17.0702 27.0303 35.852 0.00639742 0.00424206 -7.3035e-05 29
8576 120 C 17.7582 25.8316 36.5629 0.000102903 0.00112675 0.00681274 29
8577 121 C 17.7036 25.8586 38.1141 0.00411758 8.90448e-05 0.00171875 29
8578 122 C 17.6666 27.2544 38.8357 -0.00411153 0.00122952 -0.000849479 29
8579 123 C 17.4258 27.1879 40.3668 0.0022334 0.00399869 -0.000420927 29
8580 124 C 18.3658 26.2419 41.0635 0.00144088 0.00129729 -0.00381008 29
8581 125 C 18.6738 26.5802 42.5346 -0.00161315 0.00185713 0.00127044 29
8582 126 C 17.6725 26.1479 43.6277 -0.00183485 0.00144734 0.00160909 29
8583 127 C 18.3335 26.3073 45.0577 -0.00211444 -0.000494107 0.00228211 29
8584 128 C 17.478 25.8868 46.263 0.00134304 -0.00136916 -0.00307643 29
8585 129 C 16.3346 26.8278 46.5893 0.000573574 0.000917002 0.00452949 29
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8589 133 H 17.2495 32.71 28.1159 0.00326535 0.00746161 0.00295034 29
8590 134 H 10.821 30.3075 31.1243 0.00611837 -0.00897354 0.00906666 29
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8596 140 H 19.6495 28.9248 23.7707 0.00905057 -0.000431218 0.0125067 29
8597 141 H 17.9695 28.5846 25.5814 0.00376326 0.00561981 0.00806953 29
8598 142 H 18.6293 26.6202 19.8094 0.000997477 0.00108823 -0.00691037 29
8599 143 H 19.1592 26.3268 17.4341 0.0058013 0.00454342 -0.00465734 29
8600 144 H 19.2737 28.6776 20.9574 0.0140597 0.011726 0.00554324 29
8601 145 H 25.5419 30.7443 20.231 -0.00292985 -0.00409261 0.00826722 29
8602 146 H 25.7639 30.6531 17.7685 -0.00297374 0.00208095 -0.00690174 29
8603 147 H 23.2698 30.8916 21.2126 0.0186753 -0.00790718 0.00318311 29
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8605 149 H 18.6527 34.7659 16.7378 -0.000491406 0.000160816 -0.0038967 29
8606 150 H 21.1332 30.6248 16.059 7.24511e-05 0.0059042 -0.00281069 29
8607 151 H 19.4297 33.1771 20.659 0.00755872 0.00622616 -0.000350077 29
8608 152 H 15.4035 30.6224 33.0249 0.00733216 0.0176915 0.00411953 29
8609 153 H 24.3157 29.166 14.9724 -0.0126394 -0.0118594 0.00107854 29
8610 154 H 22.5923 29.2889 15.4006 -0.00603678 0.00467779 -0.00593973 29
8611 155 H 24.1258 31.0148 13.414 0.00386225 -0.0110708 0.0034287 29
8612 156 H 22.4889 31.4398 13.9399 -0.0102293 -0.0121258 0.0123758 29
8613 157 H 21.4939 29.5133 12.8839 0.00628848 -0.0166667 -0.00411902 29
8614 158 H 23.0863 28.8662 12.4721 -0.00135835 -0.00496777 0.00947648 29
8615 159 H 23.5487 30.931 11.121 -0.00617791 0.0191971 0.012598 29
8616 160 H 21.8733 31.4929 11.5307 0.00586148 -0.000685237 0.0115388 29
8617 161 H 21.0157 29.3897 10.2184 0.000540968 0.00415989 0.00150863 29
8618 162 H 22.6869 29.0227 9.8014 -0.00316011 -0.00220635 0.0101058 29
8619 163 H 22.9031 31.3863 8.90082 -0.00164117 0.00289129 -0.00248339 29
8620 164 H 21.121 31.5959 9.09496 0.00668817 -0.00132326 -0.00275544 29
8621 165 H 21.1661 31.262 6.94681 -0.00854153 -0.00310166 0.00604341 29
8622 166 H 20.845 29.5936 7.49957 0.0112416 -0.0090538 -0.000979682 29
8623 167 H 23.0429 28.9601 6.80738 0.00267417 0.0025938 0.0011703 29
8624 168 H 23.7011 30.5909 6.98365 -0.00541172 0.0110624 -0.00696247 29
8625 169 H 23.6739 29.9641 4.66136 -0.00136369 -0.00727957 -0.00269964 29
8626 170 H 22.6897 31.3758 4.90894 0.00751468 -0.00226168 -0.000681272 29
8627 171 H 20.5538 30.158 4.69306 -0.00307514 0.00356265 -0.00763252 29
8628 172 H 21.4483 28.6666 4.41826 -0.00114133 -0.00108595 0.00928321 29
8629 173 H 22.65 29.8715 2.48342 -0.000592289 -0.0127823 0.00623223 29
8630 174 H 21.5623 31.267 2.75209 -0.00318717 0.00264351 -0.00659275 29
8631 175 H 19.5956 29.8131 2.48424 0.000563238 -0.0114348 0.00383706 29
8632 176 H 20.6719 28.4428 2.14916 0.00663849 -0.00159904 0.00253835 29
8633 177 H 20.632 29.8294 1.00437 -0.00312031 0.00130066 0.000848087 29
8634 178 H 21.824 26.3891 16.1943 0.010206 0.0149231 -0.00247368 29
8635 179 H 20.2832 25.992 15.4433 -6.96187e-05 -0.00184983 0.0218216 29
8636 180 H 21.0247 27.2518 13.3638 0.0111643 -0.00286126 -0.0123353 29
8637 181 H 22.637 27.4967 14.0888 0.00649361 -0.00789454 -0.00126672 29
8638 182 H 22.8706 24.9778 14.3175 -0.00065215 0.0112087 0.0187026 29
8639 183 H 21.2534 24.8139 13.7385 -0.00844953 0.00907888 -0.00790627 29
8640 184 H 23.7777 25.7599 12.2756 -0.00540311 0.00532336 0.00292699 29
8641 185 H 22.7361 24.338 11.9454 0.0185886 -0.000165174 -0.00928183 29
8642 186 H 20.8638 25.8706 11.178 0.00526915 -0.00507438 0.0150013 29
8643 187 H 22.0709 27.0936 11.0041 0.00384333 0.00306247 0.00186965 29
8644 188 H 23.4677 25.4515 9.62194 -0.00640109 -0.0151533 0.00416391 29
8645 189 H 22.0887 24.3506 9.69039 -0.00463575 -0.000179838 0.00276579 29
8646 190 H 20.7995 26.0369 8.36577 0.00192812 0.00128695 0.00969189 29
8647 191 H 22.212 27.116 8.45491 0.000612733 0.00707336 0.00313858 29
8648 192 H 23.5405 25.3504 7.22126 0.000460015 -0.00968546 -0.00157629 29
8649 193 H 22.0087 24.3636 7.13357 -0.00872677 0.00316671 -0.00315526 29
8650 194 H 20.9711 26.2767 5.72238 0.000550682 -0.000255544 -0.00162259 29
8651 195 H 22.4983 27.1227 5.96856 -0.00357943 0.00219381 -0.0210545 29
8652 196 H 23.6899 25.1607 4.76412 -0.000723095 0.00342646 0.0049496 29
8653 197 H 22.0391 24.5102 4.45579 0.00188335 -0.00254654 0.00119786 29
8654 198 H 21.4254 26.4757 3.07153 -0.00255568 0.00050101 0.00947758 29
8655 199 H 22.9925 27.2023 3.4285 0.00200238 -0.00118909 0.0117851 29
8656 200 H 23.2686 26.221 1.2217 0.0101725 -0.00464725 -0.00851799 29
8657 201 H 24.1911 25.1784 2.30541 0.000373347 0.00350366 -0.013671 29
8658 202 H 22.5609 24.7143 1.7102 0.0138413 -0.00128763 -0.0097869 29
8659 203 H 19.0299 31.0485 15.3883 0.000221924 0.00160694 -0.00134975 29
8660 204 H 18.1534 32.4809 14.8891 0.00861176 0.0152271 0.00802137 29
8661 205 H 20.6336 31.5671 13.2971 -0.000325055 0.00539961 0.0107789 29
8662 206 H 19.1231 30.612 13.173 0.00464253 -0.00167971 0.00950794 29
8663 207 H 18.1051 33.0703 12.5028 -0.00256868 0.00766931 -0.0122379 29
8664 208 H 19.8596 33.2829 12.1527 0.00405531 9.87782e-05 0.00868909 29
8665 209 H 19.5729 31.0779 10.7065 -0.0071833 -0.0058 0.0115797 29
8666 210 H 17.8905 31.2456 11.0781 0.00743905 -0.00872043 0.0110287 29
8667 211 H 17.8105 33.5435 9.88022 -0.00623065 -0.011125 0.00279839 29
8668 212 H 19.5101 33.514 9.68252 0.000462886 0.00248796 0.024282 29
8669 213 H 19.1844 31.391 8.05195 0.0132522 0.00543656 0.00774082 29
8670 214 H 17.4871 31.6652 8.27228 0.00142665 0.00114622 -0.00060506 29
8671 215 H 17.5793 33.9121 7.28928 -0.00426123 -0.00789929 0.000479866 29
8672 216 H 19.2715 34.0117 7.6309 0.004793 -0.00333447 0.0025394 29
8673 217 H 18.8971 33.9656 5.24597 0.010613 -0.0105497 -0.0132517 29
8674 218 H 19.8687 32.681 5.73409 0.00408289 -0.00107977 0.000492297 29
8675 219 H 17.9746 31.137 5.32094 0.00364181 -0.00177243 -0.00760007 29
8676 220 H 16.8197 32.5112 5.10859 -0.00474827 0.00350867 0.000801753 29
8677 221 H 18.0473 33.3665 3.1805 -0.00187996 0.00146395 0.0157184 29
8678 222 H 19.3104 32.22 3.41012 0.00174933 -0.00417084 0.00824969 29
8679 223 H 18.1508 31.1764 1.66423 -0.00449462 0.00898914 -0.00674792 29
8680 224 H 17.3246 30.3875 2.96241 0.00190815 -0.00202019 0.00555008 29
8681 225 H 15.4271 32.013 2.74857 0.00596274 0.013164 0.0036812 29
8682 226 H 16.3436 32.9661 1.48958 0.000441688 0.00401828 0.00128883 29
8683 227 H 15.7477 31.3093 1.18523 -0.0137527 0.00144867 0.0105021 29
8684 228 H 10.6511 31.0201 32.9752 0.0047061 0.00153596 -0.00104599 29
8685 229 H 10.9973 29.3029 33.1451 -0.001398 -0.00204494 0.0149424 29
8686 230 H 11.3597 29.3278 35.3769 -0.0158899 -0.0012029 -0.00107225 29
8687 231 H 12.0336 30.8862 35.4508 0.00476107 0.0116065 -0.019095 29
8688 232 H 9.58252 31.7269 34.8313 -0.00742299 0.00343979 0.00532417 29
8689 233 H 8.97734 30.2142 35.3474 -0.00382027 0.00063965 0.00192447 29
8690 234 H 10.5149 32.2873 36.9655 0.0115266 -0.0123461 -0.00935428 29
8691 235 H 8.83383 32.0209 37.0666 -0.00325418 -0.00152634 0.00909132 29
8692 236 H 9.12227 29.9232 38.2933 -0.00371161 0.00848574 -0.00980378 29
8693 237 H 10.875 29.8588 37.9633 0.00768828 0.00644038 -0.00666424 29
8694 238 H 11.2648 31.9485 39.2443 0.00535663 -0.00183228 0.00240431 29
8695 239 H 9.52491 32.026 39.6047 -0.00477451 0.000250388 -0.000994885 29
8696 240 H 9.62986 29.9121 40.8844 -0.00169744 0.000627029 0.0116103 29
8697 241 H 11.3701 29.8951 40.6684 -0.0116181 -0.0110169 -0.00577359 29
8698 242 H 11.5417 32.0524 41.9143 0.000574761 -0.00230047 0.0116176 29
8699 243 H 9.80016 32.2524 41.8952 0.0036112 0.00577345 -0.00138614 29
8700 244 H 9.7694 30.1068 43.3159 -0.00786706 0.00817429 0.0130079 29
8701 245 H 11.5085 30.1432 43.4616 0.00132379 0.00602971 0.00406467 29
8702 246 H 11.4265 32.3923 44.5245 -0.00298616 0.000970865 0.00622828 29
8703 247 H 9.69816 32.5091 44.3955 0.00252131 0.00504483 0.00157487 29
8704 248 H 9.37453 30.4802 45.7448 0.00359416 -0.00539078 0.000143566 29
8705 249 H 11.084 30.3896 46.1208 0.00157897 0.000170543 0.00200967 29
8706 250 H 9.86563 31.3809 47.9347 -0.00079863 0.0122424 0.00834244 29
8707 251 H 10.9315 32.68 47.2609 0.00454662 -0.00789998 -0.00768621 29
8708 252 H 9.18514 32.6024 46.9029 0.000540516 -0.00455509 0.00475982 29
8709 253 H 18.4132 34.2676 33.7715 8.23017e-05 -0.0135611 0.0101777 29
8710 254 H 16.9535 35.2302 33.621 0.00241496 0.000686067 0.00329208 29
8711 255 H 16.0722 34.4397 35.796 -3.53711e-05 0.00345696 0.0046753 29
8712 256 H 17.5024 33.4067 36.0468 0.00807015 0.00808501 0.00922866 29
8713 257 H 18.9735 35.0036 36.1901 -0.00193546 -0.0141497 -0.00591321 29
8714 258 H 17.8651 36.3017 35.5415 -0.016823 0.00369254 0.00593556 29
8715 259 H 16.7236 36.3975 37.7275 0.00404471 0.00977863 -0.00864953 29
8716 260 H 17.1248 34.6854 38.0604 -0.00282798 0.00162648 0.00388564 29
8717 261 H 19.5528 35.389 38.4252 -0.0101614 -0.00540534 -0.00583113 29
8718 262 H 19.0917 37.0354 37.9327 0.00280484 0.00130877 -0.00378998 29
8719 263 H 19.2438 37.1294 40.2479 -0.00179653 0.00698375 -0.0050658 29
8720 264 H 17.5001 37.1399 39.9112 0.00124892 0.0054248 -0.00407709 29
8721 265 H 17.3868 34.7476 40.4736 -0.00191454 0.00228952 -0.00288926 29
8722 266 H 19.2179 34.7454 40.5707 0.00368895 0.00464931 0.00979503 29
8723 267 H 19.1522 36.4048 42.3944 -0.000745429 0.0130964 0.00208411 29
8724 268 H 17.3828 36.4852 42.3297 -0.00199533 -0.00333138 -0.0241746 29
8725 269 H 17.2653 34.1207 42.9657 0.00616785 -0.00948072 0.00729216 29
8726 270 H 18.9928 33.9161 42.8851 0.00437838 0.00975997 -0.0105131 29
8727 271 H 19.4269 35.5314 44.6568 -0.00517202 0.0126524 -0.00233957 29
8728 272 H 17.6827 35.8459 44.8903 -0.00740924 -0.00994125 0.0128484 29
8729 273 H 17.5815 33.2852 45.3972 -0.00753167 0.00174455 0.00784994 29
8730 274 H 19.32 33.409 45.5981 -0.00178121 -0.00574229 0.00115123 29
8731 275 H 18.1963 33.6564 47.7808 0.0175925 0.00832519 0.00614662 29
8732 276 H 19.0165 35.2243 47.311 0.00100272 -0.00160255 0.00774014 29
8733 277 H 17.2688 35.0157 47.18 0.00173873 -0.00475574 0.00880228 29
8734 278 H 16.4839 26.068 33.992 -0.0027601 0.00262541 0.00191843 29
8735 279 H 18.1621 26.6587 34.0314 0.000320809 0.00448668 0.0191758 29
8736 280 H 16.021 27.0359 36.1724 0.00980886 0.00201963 0.0111412 29
8737 281 H 17.4644 28.0106 36.147 -0.00320554 0.00579275 0.00766112 29
8738 282 H 18.8297 25.8153 36.3282 0.00153863 0.00936245 0.0127278 29
8739 283 H 17.3418 24.8958 36.1701 0.000340613 -0.00177511 0.0134908 29
8740 284 H 18.6038 25.3469 38.4764 0.00428272 -0.0109026 -0.0142847 29
8741 285 H 16.8605 25.2985 38.5372 -0.00245103 0.00625201 -0.00321121 29
8742 286 H 16.8604 27.8815 38.4355 0.00157056 0.00718249 -0.00292914 29
8743 287 H 18.6337 27.75 38.6853 0.00145886 -0.0106021 -0.00414171 29
8744 288 H 16.3979 26.8578 40.5612 0.00681403 -0.0125284 -0.00415776 29
8745 289 H 17.576 28.1839 40.8013 -0.00122321 0.0045105 -0.00040889 29
8746 290 H 19.321 26.2708 40.5249 0.00788593 0.0110534 0.00815332 29
8747 291 H 18.0014 25.2105 40.9811 0.00885979 -0.00172888 0.00121325 29
8748 292 H 18.8996 27.6453 42.6689 -0.0111071 0.00331406 0.00579435 29
8749 293 H 19.5498 25.9435 42.7093 -7.37551e-05 0.00531519 0.00604756 29
8750 294 H 17.3336 25.1286 43.4054 -0.0037291 0.004775 -0.0108665 29
8751 295 H 16.7575 26.7529 43.6128 -0.000369551 0.00367853 0.00232503 29
8752 296 H 18.671 27.3395 45.2128 0.0138612 -0.00568423 0.00207249 29
8753 297 H 19.212 25.6564 45.1476 -0.000144382 0.00162909 -0.0017166 29
8754 298 H 18.1851 25.7719 47.0938 0.0130019 0.00755519 -0.0117236 29
8755 299 H 17.0171 24.9095 46.0738 -0.00175748 0.00217802 -0.013892 29
8756 300 H 15.7551 26.4388 47.4356 0.00721372 -0.0141575 0.00214554 29
8757 301 H 15.6622 26.9388 45.7297 -0.00804688 0.00873803 0.0122751 29
8758 302 H 16.7312 27.8135 46.8621 0.00193359 -0.00219543 0.013803 29
8759 1 C 21.3418 40.7677 31.5763 -0.00294316 -0.000731206 -0.00059566 30
8760 2 C 21.5475 40.6372 30.1819 0.00131031 0.00743943 -0.000850174 30
8761 3 C 21.0684 39.5366 29.4966 0.00101935 0.00141599 0.000535577 30
8762 4 C 20.365 38.5462 30.21 0.00138824 0.00141054 -7.68598e-05 30
8763 5 C 20.222 38.6255 31.6262 0.00463813 -0.00341248 -0.00217477 30
8764 6 C 20.7343 39.7581 32.3154 0.00314367 -0.00172895 -0.00249405 30
8765 7 C 15.6866 37.401 30.9643 0.00202797 -0.00331439 -0.00128133 30
8766 8 C 15.9 37.3128 29.5911 0.000410739 -0.00504705 -0.00389167 30
8767 9 C 17.2046 37.2988 29.1099 0.00171007 -0.00112038 0.00452063 30
8768 10 C 18.2951 37.3112 29.9985 0.00167148 0.00361378 2.44906e-05 30
8769 11 C 18.0822 37.3843 31.3987 0.00117199 0.00352634 -0.00133439 30
8770 12 C 16.7547 37.4044 31.899 0.00381699 -0.00448322 -0.000695019 30
8771 13 C 21.4344 33.9856 31.8649 0.00188258 -0.000219722 0.00407014 30
8772 14 C 21.6112 34.031 30.485 -0.0014812 -0.000518746 -0.000631327 30
8773 15 C 21.0225 35.0345 29.7131 0.0022915 -0.00195338 -0.00189415 30
8774 16 C 20.3554 36.0959 30.342 -0.00119819 -0.00198203 -0.000377326 30
8775 17 C 19.7654 37.2858 29.5819 -0.001556 -0.000851544 0.00772052 30
8776 18 O 20.7101 34.9367 33.9517 -0.00135684 0.000170663 -0.000330593 30
8777 19 O 16.4389 37.4411 33.2285 0.000673191 0.00112025 0.00162663 30
8778 20 O 20.6866 39.865 33.7199 0.000108123 -0.000375159 0.00301653 30
8779 21 C 20.7516 35.0326 32.5482 8.47562e-05 -0.00693561 0.00241271 30
8780 22 C 20.0728 37.27 28.151 -0.000968308 0.000444424 0.000114862 30
8781 23 C 20.5109 37.3012 27.0314 0.00326815 0.00287378 0.00726646 30
8782 24 C 21.2848 37.3906 25.8301 -0.00985879 -0.000721234 0.00454424 30
8783 25 C 20.9446 38.2241 24.7383 -0.00121848 -0.0057392 0.00218708 30
8784 26 C 21.7722 38.3321 23.6051 -0.005645 -0.00135396 -0.000776474 30
8785 27 C 22.9524 37.5246 23.5542 0.000847906 0.00155531 -0.00246302 30
8786 28 C 23.2566 36.6544 24.571 0.00307999 0.00369764 -0.0012488 30
8787 29 C 22.4089 36.5843 25.7127 -0.00433922 -0.00346416 0.00505712 30
8788 30 C 23.7419 37.5253 22.3752 -0.00111562 0.000965526 -3.08269e-05 30
8789 31 C 24.1914 37.5568 21.2388 0.00154371 0.00392174 0.00172077 30
8790 32 C 22.7616 34.221 18.9651 -0.00160979 8.93226e-05 0.00246329 30
8791 33 C 22.9455 34.2648 17.5654 0.0031617 -0.000984266 0.00182364 30
8792 34 C 23.5906 35.3499 16.9604 -2.21469e-05 0.00230744 -0.00698379 30
8793 35 C 24.0667 36.4101 17.7733 -0.00223041 -0.000231842 -0.00337079 30
8794 36 C 23.8903 36.3516 19.1631 -0.00204303 0.000367541 -0.00305966 30
8795 37 C 23.2502 35.2784 19.7714 0.00587038 -0.00211407 0.00317355 30
8796 38 C 24.559 37.5664 19.8374 -0.000784293 -0.000598369 -0.0012601 30
8797 39 C 28.4347 37.3794 19.8176 -0.000468623 -0.00104652 0.00485675 30
8798 40 C 28.6302 37.4227 18.4286 0.00254023 -0.00231008 -0.0034018 30
8799 41 C 27.557 37.4229 17.5163 -0.00371276 -0.000281527 0.000360455 30
8800 42 C 26.2534 37.4374 18.045 -6.03368e-05 0.000686064 0.00215256 30
8801 43 C 26.0354 37.432 19.4487 -0.00339796 -0.0011934 0.00196402 30
8802 44 C 27.1007 37.357 20.3225 -0.00540996 -0.000411553 0.00489119 30
8803 45 C 23.1404 41.039 18.8846 0.00187634 0.0023997 -0.00409225 30
8804 46 C 23.261 40.9601 17.5112 -0.00112963 0.000577181 0.000807547 30
8805 47 C 23.8791 39.8707 16.851 -0.00227173 0.00109142 -0.0027904 30
8806 48 C 24.2827 38.8249 17.6764 -0.00103353 0.00245234 -0.00072434 30
8807 49 C 24.9548 37.5403 17.2016 0.000438356 -0.000297716 -0.00233448 30
8808 50 C 24.0926 38.8493 19.078 0.000490573 -0.000286191 -0.00080995 30
8809 51 C 23.5402 39.9698 19.7121 0.00510632 -0.00127825 0.00217765 30
8810 52 O 27.7349 37.4726 16.1765 0.00211135 -0.000403866 0.00411572 30
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8813 55 C 19.4317 37.3893 32.2203 -0.00395244 -0.00134853 0.00480366 30
8814 56 C 20.1819 36.0871 31.7693 0.00016854 -7.63857e-05 0.000270896 30
8815 57 C 28.3278 36.3792 15.4762 0.00173457 -0.00177578 0.00128591 30
8816 58 C 27.3893 35.9339 14.3433 0.00186247 0.003175 0.000305518 30
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8819 61 C 26.6632 37.4552 10.726 -0.00155449 -0.00353578 0.00432594 30
8820 62 C 26.4479 36.7219 9.39265 -0.0021988 0.00128889 0.00619145 30
8821 63 C 26.4875 37.6485 8.14848 -0.0010992 0.00167659 0.000830173 30
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8825 67 C 25.5448 37.6855 3.06262 0.00171322 3.85946e-05 0.00558007 30
8826 68 C 25.156 36.8054 1.8577 0.00361945 -0.000451027 0.00385168 30
8827 69 F 21.4226 39.1769 22.574 -0.0020277 0.0025459 -0.000816764 30
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8829 71 C 23.6831 34.9402 13.3115 -0.000522412 -0.000158302 -0.00037421 30
8830 72 C 22.8797 34.205 12.2289 -0.00273034 0.00261093 -0.00156023 30
8831 73 C 23.2013 34.685 10.8028 0.0014805 -0.000547762 0.00324814 30
8832 74 C 22.162 34.1686 9.74527 -0.000665859 -0.000712006 -0.00500313 30
8833 75 C 22.5942 34.0031 8.27006 0.00230434 0.0017184 -0.00104786 30
8834 76 C 22.8185 35.3629 7.56701 0.000306383 0.00489153 -0.00309044 30
8835 77 C 23.1269 35.2669 6.08289 -0.0023541 -0.00244957 0.00369914 30
8836 78 C 22.0219 34.6677 5.21158 0.00502651 0.000294145 -0.000745025 30
8837 79 C 22.0771 35.2188 3.73646 -0.00189876 -0.000101903 0.000558723 30
8838 80 C 21.1433 34.4503 2.7699 -0.000457462 -0.00142848 -0.00331654 30
8839 81 C 21.148 35.1824 1.40018 -0.000534732 -0.00196489 -0.00165284 30
8840 82 C 25.2275 40.0964 14.789 -0.00268066 -0.00412518 0.00330784 30
8841 83 C 24.9012 40.1271 13.2994 0.00291028 0.000246994 -0.00564211 30
8842 84 C 25.9736 40.7192 12.3625 -0.0067386 -0.000107038 0.000547116 30
8843 85 C 25.3341 40.987 10.9886 -0.00108721 0.0014056 0.000241598 30
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8845 87 C 25.5971 42.2518 8.80174 -9.63671e-05 -0.00174397 -0.00454859 30
8846 88 C 26.2733 42.3573 7.42078 -0.00356376 0.00494662 -0.0029759 30
8847 89 C 26.1278 41.0886 6.54687 0.00349682 -0.00143134 -0.00161702 30
8848 90 C 25.6819 41.4282 5.10704 -0.00439484 -0.0034549 -0.00304324 30
8849 91 C 26.8273 42.0568 4.28499 0.00184271 0.00166966 0.00632749 30
8850 92 C 26.5474 42.3547 2.76828 -0.00124929 0.000546395 -0.00285814 30
8851 93 C 26.0799 41.1437 1.92089 0.000554084 -0.00163861 0.000177862 30
8852 94 C 15.0884 37.0936 33.6852 -0.000765779 -0.002557 0.00104864 30
8853 95 C 15.0273 37.2428 35.1762 0.00248316 0.000788652 -0.00268961 30
8854 96 C 13.7448 36.7274 35.8033 -0.00120156 0.00357639 0.00251575 30
8855 97 C 13.8119 36.395 37.2867 0.00360455 -0.00209675 0.000781291 30
8856 98 C 14.0323 37.6224 38.1871 0.000283921 0.00112173 -0.000290574 30
8857 99 C 14.2358 37.103 39.6241 0.000632377 -0.0018154 0.000501027 30
8858 100 C 13.9887 38.1324 40.7162 -0.00106487 0.00231277 0.000605468 30
8859 101 C 14.0724 37.5079 42.1162 0.00118584 -0.0032615 0.000621515 30
8860 102 C 13.7631 38.5553 43.1702 -0.000632336 0.0036753 0.000272761 30
8861 103 C 14.1429 38.0526 44.5984 0.000416005 0.00749554 -0.00132635 30
8862 104 C 14.1297 39.1996 45.6139 -0.000288285 0.00216913 0.00187276 30
8863 105 C 14.2379 38.6783 47.0354 -0.00223238 0.00341322 -0.0022888 30
8864 106 C 21.48 40.8824 34.3399 -0.000916187 -0.0012452 0.00234387 30
8865 107 C 21.2465 41.0717 35.8587 0.00119277 0.00212748 -0.00225517 30
8866 108 C 22.1212 42.1953 36.4732 -0.000665444 0.00224485 0.000740506 30
8867 109 C 21.7466 42.7474 37.8818 -0.00220781 0.000182586 -0.00167042 30
8868 110 C 21.8205 41.7815 39.042 0.00110613 -0.000463628 0.00233189 30
8869 111 C 21.7799 42.4583 40.4011 -0.00418685 -0.00260032 0.00510002 30
8870 112 C 21.824 41.4368 41.5503 0.000103458 0.00095928 -0.00334044 30
8871 113 C 21.8471 42.1632 42.9161 -0.00101431 -2.6965e-06 0.000315495 30
8872 114 C 21.8337 41.2481 44.1723 -0.00162827 0.000526044 -0.0017205 30
8873 115 C 22.0521 42.0998 45.4491 0.00368332 0.00226898 0.00298116 30
8874 116 C 21.7785 41.3332 46.7965 0.00296002 0.00173679 -0.00292732 30
8875 117 C 22.0152 42.2803 48.001 0.000863579 -0.000621805 -0.00137005 30
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8877 119 C 21.6741 33.7515 35.9507 -2.72278e-05 -0.00151876 0.00382901 30
8878 120 C 21.2807 33.006 37.2735 -0.0002311 -0.000277464 -0.00251961 30
8879 121 C 22.2163 33.3854 38.4085 0.00205288 0.0036479 0.00490443 30
8880 122 C 22.1682 32.4545 39.6358 -0.00134586 0.00108547 0.00124413 30
8881 123 C 23.0215 32.9408 40.806 -0.000514994 0.00364721 0.000540903 30
8882 124 C 22.1968 33.8744 41.7378 0.000884325 0.0014519 0.00188863 30
8883 125 C 21.5802 33.1005 42.9599 -0.00115864 -0.00293905 -0.0020305 30
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8885 127 C 22.0363 32.1001 45.2938 -0.00177099 0.00300396 -0.00182206 30
8886 128 C 22.0446 33.276 46.2927 0.00382353 -0.00184608 0.00237871 30
8887 129 C 21.4978 32.867 47.6492 0.000478851 -0.00701245 -0.00091892 30
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8921 163 H 25.5172 36.1415 9.41444 -0.00137274 4.49328e-05 0.00841007 30
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9029 271 H 23.0573 42.5366 45.4034 0.00741893 -0.00662308 8.66503e-05 30
9030 272 H 21.3367 42.9295 45.3914 -0.00214844 -0.00296218 -0.000111088 30
9031 273 H 20.7477 40.9668 46.8765 0.00320814 -0.00110566 -0.0129444 30
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9033 275 H 23.0679 42.5819 48.0665 0.000932874 -0.00149414 0.00161769 30
9034 276 H 21.3372 43.136 47.8936 -0.00322244 -0.00257558 0.00891324 30
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9044 286 H 22.5737 31.4817 39.3316 0.010806 0.00485731 0.00535541 30
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9062 2 C 25.6369 33.8309 29.9623 0.00150264 0.00094678 0.00228549 31
9063 3 C 25.0217 32.7957 29.2486 -0.00310376 -0.00195788 -0.00248008 31
9064 4 C 24.2674 31.8311 29.9094 0.00604476 0.00169213 -0.00169002 31
9065 5 C 24.126 31.9041 31.3459 -0.00277706 0.00246331 0.00337567 31
9066 6 C 24.7095 32.9684 32.0675 0.00282103 -0.00207987 -0.000239799 31
9067 7 C 19.5857 30.5591 30.6043 -0.00131889 0.00126823 -8.02765e-05 31
9068 8 C 19.8078 30.3494 29.2213 0.00253023 0.000200257 -0.00015279 31
9069 9 C 21.11 30.4204 28.6966 -0.00114426 0.00383783 -0.00308253 31
9070 10 C 22.1809 30.5749 29.613 0.00195079 -8.7437e-05 0.00100312 31
9071 11 C 21.9891 30.7026 31.0321 -0.00420789 0.00190158 0.0015495 31
9072 12 C 20.6746 30.6341 31.5226 -0.00609379 0.00210892 -0.00242076 31
9073 13 C 25.3735 27.4402 31.6477 -0.000241425 0.00212142 0.00384631 31
9074 14 C 25.5544 27.3624 30.2651 -0.00253805 0.000443173 -0.00128838 31
9075 15 C 24.9872 28.3226 29.4452 0.0013497 0.00255358 0.00030246 31
9076 16 C 24.2794 29.4216 30.0255 0.00320692 0.00672171 -0.00183121 31
9077 17 C 23.6768 30.5954 29.2289 -0.00456908 0.00349426 0.000459441 31
9078 18 O 24.2268 28.4387 33.5106 -0.000403566 -0.00369449 -6.96079e-05 31
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9080 20 O 24.4284 33.1325 33.4112 0.000575124 -0.00109395 0.00258775 31
9081 21 C 24.5942 28.4863 32.2304 0.00175909 -0.0039654 9.52506e-06 31
9082 22 C 23.9687 30.5337 27.766 0.000630988 -0.00170607 0.00258124 31
9083 23 C 24.4963 30.533 26.6887 -0.00193052 -0.000933778 0.00149701 31
9084 24 C 25.3127 30.6054 25.5293 -0.00132851 0.00384292 0.00167754 31
9085 25 C 25.5601 31.8704 24.9861 -0.00155606 0.0044304 0.000389003 31
9086 26 C 26.3912 31.9769 23.8611 0.00206266 0.00129173 0.0015737 31
9087 27 C 26.9937 30.8267 23.3651 0.00239166 0.00283643 0.000163365 31
9088 28 C 26.7763 29.564 23.9381 0.00285037 -0.00572639 -9.45558e-05 31
9089 29 C 25.937 29.448 25.0344 0.00117272 -0.00264127 0.00146458 31
9090 30 C 27.7319 30.8698 22.1255 -0.00215234 -0.00197264 0.00250401 31
9091 31 C 28.2677 30.888 21.0373 -0.00218327 0.00199459 -0.00101808 31
9092 32 C 27.6114 27.087 19.175 0.00274033 -0.00788068 -0.000396589 31
9093 33 C 27.9173 26.9372 17.8033 0.0017873 0.00172805 0.00228649 31
9094 34 C 28.3656 28.0438 17.049 0.00196343 -0.0017263 0.000983396 31
9095 35 C 28.3869 29.3058 17.6694 0.00488321 -0.00200808 -0.00201172 31
9096 36 C 28.1955 29.4373 19.0478 0.000964761 -0.00560792 -0.00382514 31
9097 37 C 27.8094 28.301 19.7935 0.004581 0.00362245 0.00109092 31
9098 38 C 28.5823 30.8147 19.6049 0.00145589 -0.000809641 -0.00442093 31
9099 39 C 32.4638 30.9227 19.3017 1.37159e-05 0.00500782 0.00109713 31
9100 40 C 32.5555 31.1372 17.8979 -0.00214663 -0.0027826 -0.000943533 31
9101 41 C 31.3819 31.1511 17.112 -0.00120846 0.000290912 -0.000627423 31
9102 42 C 30.1742 30.8994 17.7375 -0.00225207 0.00134583 -0.00259295 31
9103 43 C 30.0537 30.8961 19.1255 0.000694179 0.00107588 -0.0037235 31
9104 44 C 31.195 30.8847 19.9384 -0.00147663 -0.000750234 -0.000696239 31
9105 45 C 26.5262 33.9008 18.3919 -0.0042082 0.00147686 0.00213446 31
9106 46 C 26.6516 33.7336 16.9961 -0.00230366 0.00274538 0.00749616 31
9107 47 C 27.397 32.6408 16.4988 0.00291797 -2.96032e-05 -0.00119764 31
9108 48 C 27.99 31.7186 17.3969 -0.00201358 0.00275884 -0.00180606 31
9109 49 C 28.9218 30.5767 16.9828 -0.00460757 -0.00299815 0.00132495 31
9110 50 C 27.8039 31.8537 18.7832 -0.00252196 -0.00303682 -0.00523438 31
9111 51 C 27.0637 32.9599 19.3002 0.00156005 -0.00579565 0.000771353 31
9112 52 O 31.4429 31.5508 15.788 0.000789137 -0.00708309 0.000957349 31
9113 53 O 28.8595 27.8727 15.7603 0.00089819 0.00126299 -0.000111536 31
9114 54 O 27.4746 32.4501 15.141 0.00478611 0.00101878 0.000905947 31
9115 55 C 23.2706 30.7156 31.862 -0.00181167 -0.00410121 0.00196173 31
9116 56 C 24.0699 29.4933 31.4031 -0.00238156 0.0015521 0.00519643 31
9117 57 C 31.3312 30.6768 14.6756 -0.000645292 -0.000287312 0.00467803 31
9118 58 C 30.6268 31.4518 13.5629 -0.00013966 -0.00388538 -0.0110433 31
9119 59 C 30.6086 30.9364 12.1057 0.00231563 0.00161254 -0.00279864 31
9120 60 C 30.0542 29.5498 11.839 -0.00342699 -0.000758518 -0.000641888 31
9121 61 C 29.5431 29.3356 10.3753 0.00225629 5.44656e-05 -0.000552804 31
9122 62 C 30.4408 29.8874 9.25126 -0.000364851 -0.00110746 0.00535503 31
9123 63 C 29.7439 29.7383 7.89076 0.00289839 -0.00270607 0.000369126 31
9124 64 C 30.5117 30.3194 6.65371 -0.00161586 0.00196256 0.00115669 31
9125 65 C 29.7124 30.0556 5.33723 -0.00104139 -0.00414713 0.00360718 31
9126 66 C 30.6058 30.2777 4.08025 -0.000587851 -0.00175602 -0.00300171 31
9127 67 C 29.8195 30.2795 2.76889 0.0050855 0.000847265 -0.00096138 31
9128 68 C 30.6825 30.1471 1.57982 0.00345407 0.000836835 0.00111003 31
9129 69 F 26.6017 33.1531 23.282 0.00334852 -0.000878984 0.00136509 31
9130 70 C 29.2298 26.5291 15.3394 0.000979076 0.00247248 -0.000897575 31
9131 71 C 29.6484 26.5078 13.8586 -0.00088569 0.00113893 0.00180579 31
9132 72 C 30.2578 25.1219 13.5096 -0.00337748 -0.00232951 -0.00168499 31
9133 73 C 30.3124 24.7411 12.0107 -0.00118639 -0.00339779 -0.00101413 31
9134 74 C 30.1493 25.77 10.8719 -0.000539296 0.00208729 -0.000671222 31
9135 75 C 30.2071 25.0499 9.49243 -0.00356272 2.8135e-05 -0.00137151 31
9136 76 C 29.9739 25.9746 8.32113 -0.00117233 -0.00246169 -0.00250113 31
9137 77 C 30.253 25.2969 6.94192 0.00136409 0.00030408 -0.00444839 31
9138 78 C 30.1019 26.2068 5.73655 0.00284868 0.00478217 -0.00506551 31
9139 79 C 30.5293 25.4739 4.42595 0.000221535 0.00347807 -0.00358771 31
9140 80 C 30.5544 26.294 3.11789 0.000116969 -0.00100364 -0.000916594 31
9141 81 C 30.9981 25.4624 1.90106 -0.00458488 -0.00529364 0.00107709 31
9142 82 C 26.4223 31.5989 14.6291 0.00148596 -0.00126165 0.000242184 31
9143 83 C 26.7674 31.1778 13.1934 0.0023223 -0.00229289 -0.000616441 31
9144 84 C 26.4895 32.2952 12.1779 -0.003086 -0.00460443 0.00250493 31
9145 85 C 26.9009 31.8707 10.7759 0.0058177 -0.00448854 0.00333217 31
9146 86 C 26.3033 32.719 9.67949 0.000493492 -0.0019014 0.00222456 31
9147 87 C 26.6741 32.2815 8.21654 -0.0029678 -0.00188638 -0.00625767 31
9148 88 C 26.4929 33.4891 7.26088 -0.000391559 -0.00104605 -0.00754067 31
9149 89 C 26.6968 33.1552 5.77022 -0.000990689 0.00204063 0.000890914 31
9150 90 C 25.7763 32.0388 5.29064 -0.000269351 0.00421513 -0.00400008 31
9151 91 C 25.7446 31.9192 3.72911 -0.00378579 0.00226666 -0.00178151 31
9152 92 C 24.8863 33.0074 3.09435 -0.000161955 -0.00309509 -0.00113704 31
9153 93 C 24.8963 32.9598 1.56546 -0.000323946 -0.0018317 0.00126022 31
9154 94 C 19.1652 30.9664 33.4837 -0.00376784 0.000430488 0.00174972 31
9155 95 C 19.0771 30.7555 34.9956 -0.0018408 -0.000528151 0.00496123 31
9156 96 C 17.6728 30.7245 35.6727 0.00273319 0.00431115 -0.00271989 31
9157 97 C 17.6771 30.399 37.1719 -0.00235123 0.00292056 -0.00611857 31
9158 98 C 18.1276 31.4256 38.2455 -0.00254327 -0.00332848 -0.000338348 31
9159 99 C 17.9403 30.7579 39.6552 -0.00153074 -0.00245526 0.00121353 31
9160 100 C 18.0894 31.6122 40.9131 0.000323766 0.00107851 -0.000694924 31
9161 101 C 17.9746 30.6164 42.1521 0.00338857 0.00220803 0.000573209 31
9162 102 C 18.1122 31.1992 43.5878 -0.000705256 -0.00234376 0.00122254 31
9163 103 C 18.1826 30.0209 44.5799 -0.00587748 -0.0010293 0.000760245 31
9164 104 C 18.3794 30.4348 46.0866 0.00157897 -0.00311872 0.00244108 31
9165 105 C 17.1236 30.8878 46.8092 0.00116238 0.00174211 -0.000126041 31
9166 106 C 24.2478 34.4904 33.8553 0.00106367 0.000697054 -0.0015602 31
9167 107 C 25.4051 34.8702 34.7978 -0.0015251 -0.00156154 -0.00103034 31
9168 108 C 25.0493 34.6725 36.2748 0.00181016 -0.00338712 -0.00343856 31
9169 109 C 26.0041 35.4334 37.2321 -0.00262404 -0.00311807 -0.000174873 31
9170 110 C 25.6451 35.1187 38.718 0.00265059 -0.00139955 0.00375967 31
9171 111 C 26.2809 36.0788 39.7002 0.00185556 0.000252465 -0.000232627 31
9172 112 C 25.7065 35.9592 41.138 -0.000215077 0.0016483 -0.000585504 31
9173 113 C 26.3471 34.7672 41.8865 -0.00362855 -0.00247731 -0.00168007 31
9174 114 C 25.8094 34.565 43.3018 0.0056128 0.00289898 0.00422841 31
9175 115 C 26.2322 35.7167 44.2501 -0.00265952 0.000816283 -0.00155118 31
9176 116 C 26.0096 35.3815 45.7097 -0.00031299 -0.00503564 0.00199258 31
9177 117 C 26.2854 36.5396 46.6225 -0.000618327 0.00242708 -0.00054916 31
9178 118 C 24.024 27.1605 34.1502 -6.95718e-05 0.00323993 -0.00277374 31
9179 119 C 25.2183 26.7383 35.0894 0.00070513 -0.00522703 0.00118514 31
9180 120 C 24.7584 26.785 36.5866 -0.00107207 0.00205102 -0.00122593 31
9181 121 C 25.7262 26.207 37.6602 -0.00121513 0.00159169 -0.00316812 31
9182 122 C 25.0045 26.2694 39.0274 -0.00460464 0.000485998 -0.000495158 31
9183 123 C 25.8829 25.9118 40.2394 -0.0016684 -0.00116687 0.00630996 31
9184 124 C 25.1888 26.1674 41.5968 -0.00525406 -0.000707403 -0.000397803 31
9185 125 C 26.0651 25.7604 42.8127 0.00201564 -0.00231691 -0.00134682 31
9186 126 C 25.4652 26.0826 44.1916 0.000647157 -0.00261838 -0.00200812 31
9187 127 C 26.3911 25.6957 45.3858 -0.00474149 0.00114386 0.000376614 31
9188 128 C 25.8769 25.9554 46.7937 -0.00391895 0.000663715 0.00152323 31
9189 129 C 25.8983 27.4006 47.2381 0.00079159 -0.00651453 -0.000858029 31
9190 130 F 24.9982 33.0023 25.5477 0.000749026 -0.00063475 0.000891693 31
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9201 141 H 25.7681 28.4637 25.461 -0.000795838 -0.00760908 -0.0107468 31
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9203 143 H 27.8886 25.9299 17.3986 0.011952 -0.00570499 0.0200329 31
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9205 145 H 33.3706 30.8902 19.8984 0.00275022 -0.0100105 -0.00387885 31
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9208 148 H 25.9848 34.762 18.7723 -0.0143385 -0.00795435 0.00903624 31
9209 149 H 26.1063 34.393 16.3273 0.00531386 0.00628299 0.00479311 31
9210 150 H 29.007 30.4809 15.8933 -0.00255314 0.0072411 0.000584424 31
9211 151 H 26.9138 33.153 20.3583 -0.00712615 0.0106703 -0.00343072 31
9212 152 H 22.9905 30.679 32.922 0.00956445 0.00723606 0.00530921 31
9213 153 H 32.3769 30.4744 14.4133 -0.000607593 0.0018645 0.00316223 31
9214 154 H 30.7904 29.7592 14.9382 -0.00767309 -0.00323751 -0.0201537 31
9215 155 H 31.0688 32.4549 13.5204 -0.0121138 0.00209017 0.00498488 31
9216 156 H 29.5989 31.6607 13.8844 0.00640524 0.00878208 0.0016642 31
9217 157 H 31.6101 30.908 11.659 -2.64814e-05 0.00116132 -0.00802996 31
9218 158 H 30.0468 31.7015 11.5558 -0.0122173 0.00144717 0.0117991 31
9219 159 H 29.2556 29.3331 12.5592 -0.00744553 0.0114271 -0.00141068 31
9220 160 H 30.8784 28.8362 11.9614 -0.00543814 -0.000286801 0.0153533 31
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9223 163 H 31.4287 29.4112 9.22531 0.0064087 0.0124293 0.0143507 31
9224 164 H 30.6195 30.9551 9.42885 -0.00290537 -0.00168185 0.0113781 31
9225 165 H 28.7805 30.2613 7.93254 -6.83158e-05 -0.00900931 0.0104979 31
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9230 170 H 29.3405 29.0237 5.32926 -0.00399924 -0.00307463 0.00286005 31
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9232 172 H 31.2375 31.1642 4.21632 -0.0115256 0.00449757 0.0070082 31
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9234 174 H 29.0875 29.4625 2.75986 0.00601717 -5.34954e-05 0.00498282 31
9235 175 H 31.4167 30.9615 1.54431 -0.000468401 0.00472976 0.00936021 31
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9240 180 H 28.7517 26.6471 13.2421 -0.00759972 -0.0108005 0.00882586 31
9241 181 H 30.4107 27.2539 13.6024 0.00142669 0.000396297 0.00650303 31
9242 182 H 31.2967 25.0894 13.8603 -0.00584192 -0.00591751 0.00523635 31
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9245 185 H 29.5892 23.9279 11.8721 -0.00145708 -0.00447129 0.00660738 31
9246 186 H 29.1878 26.2874 10.9781 -6.96669e-05 0.00199225 0.00403441 31
9247 187 H 30.9531 26.5145 10.9267 -0.00553703 0.00696974 0.00622331 31
9248 188 H 31.195 24.5817 9.40167 0.00332881 0.0128097 0.00767528 31
9249 189 H 29.4796 24.2294 9.46344 0.00422151 -0.00607809 -0.0235976 31
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9252 192 H 31.3051 24.9896 6.9888 -0.00128616 -0.00884475 -0.0053711 31
9253 193 H 29.6022 24.4293 6.77696 0.0152601 -0.0116876 0.00393674 31
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9255 195 H 30.5699 27.1947 5.82827 -0.0104579 0.00960196 0.010926 31
9256 196 H 31.4813 24.9562 4.59674 -0.0086693 -0.0119289 -0.000544121 31
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9258 198 H 29.5489 26.6755 2.90145 -0.00178291 -0.00188902 0.006371 31
9259 199 H 31.2084 27.1716 3.19175 -0.00765895 0.00387657 0.00985311 31
9260 200 H 32.036 25.1234 2.00804 -0.00351542 -0.00332834 -0.00303824 31
9261 201 H 30.3363 24.606 1.72236 -0.000221286 -0.0065826 -0.00894251 31
9262 202 H 30.9719 26.0731 0.990123 0.0090519 0.00202468 0.00560984 31
9263 203 H 26.3217 30.7045 15.2563 0.00449778 4.87052e-05 0.00259516 31
9264 204 H 25.468 32.1391 14.5999 0.00324928 0.00219378 0.00693594 31
9265 205 H 27.8092 30.8356 13.1643 0.00356786 0.000825519 0.00690636 31
9266 206 H 26.0937 30.329 13.0231 -0.0163136 0.0115321 0.00386782 31
9267 207 H 25.4093 32.4862 12.1911 -0.00314042 -0.00676467 0.0299684 31
9268 208 H 27.0235 33.2102 12.4624 0.00264489 -0.00659067 -0.00186145 31
9269 209 H 27.9978 31.8796 10.771 0.00577033 0.00140764 0.00325007 31
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9271 211 H 25.2085 32.7032 9.74785 -8.06039e-05 0.00536802 -0.00515143 31
9272 212 H 26.6578 33.7373 9.88095 -0.00229962 0.000638457 -0.00573808 31
9273 213 H 27.7457 32.057 8.28486 -0.00444852 -0.00665412 0.00152527 31
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9275 215 H 25.4724 33.8741 7.37814 -0.00354265 -0.00885288 -0.00924496 31
9276 216 H 27.2027 34.2837 7.52206 -0.00329251 -0.00309697 0.00651901 31
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9279 219 H 26.1003 31.0728 5.69721 -0.0195339 0.00629438 0.0162689 31
9280 220 H 24.757 32.2371 5.64418 -0.00443944 -0.00339297 -0.0117382 31
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9286 226 H 25.8711 33.1664 1.10668 0.00223791 0.00119939 0.00810205 31
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9288 228 H 18.9275 32.0142 33.2621 0.00834467 -0.00143142 -0.0199933 31
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9290 230 H 19.4546 29.7422 35.1803 0.00594185 -0.000540669 -0.010953 31
9291 231 H 19.6893 31.4515 35.5822 0.0153776 -0.00687649 -0.00554642 31
9292 232 H 17.0816 31.615 35.4258 0.00696058 0.00578908 -0.00754473 31
9293 233 H 17.1338 29.93 35.142 -0.0139837 0.00962966 0.00636384 31
9294 234 H 16.6419 30.0857 37.3551 0.0016175 0.00201336 0.0146063 31
9295 235 H 18.2791 29.5083 37.3903 0.00336868 0.00826499 -4.24102e-05 31
9296 236 H 19.1504 31.7257 37.9864 -0.00340254 -0.00579558 -0.00664993 31
9297 237 H 17.5578 32.356 38.1311 0.0226007 0.0126165 0.0037937 31
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9299 239 H 18.6563 29.9302 39.7294 -0.00541066 -0.00592447 -7.89033e-05 31
9300 240 H 19.0538 32.1341 40.8831 0.00450814 -0.00745893 -0.0149409 31
9301 241 H 17.2943 32.3674 40.9425 -0.0014836 -0.000942613 0.00240261 31
9302 242 H 16.9839 30.1524 42.0707 0.00081085 0.00620575 0.00911664 31
9303 243 H 18.7624 29.8661 42.0116 0.00613361 0.00603838 -0.00457818 31
9304 244 H 18.9911 31.8397 43.732 -0.00832008 0.00872936 -0.00151206 31
9305 245 H 17.2177 31.7973 43.8014 0.00118092 -0.00131351 0.0062249 31
9306 246 H 17.2952 29.3863 44.4649 0.00801555 -0.0208552 0.00306586 31
9307 247 H 19.0426 29.4274 44.246 -6.97319e-05 0.0072838 0.000913634 31
9308 248 H 18.713 29.5713 46.6752 -0.0137855 -0.0103616 0.000512029 31
9309 249 H 19.2256 31.1234 46.2019 -0.00426873 0.00434936 0.000535817 31
9310 250 H 16.5374 31.5605 46.171 0.000722775 0.0148992 0.0141578 31
9311 251 H 16.5159 30.0079 47.0541 0.00502559 0.00322197 0.0148044 31
9312 252 H 17.4136 31.4113 47.7286 -0.00826239 0.00510593 0.000926019 31
9313 253 H 24.2011 35.1383 32.9713 0.0037881 0.00646412 0.00253314 31
9314 254 H 23.3028 34.595 34.4024 0.00855212 0.0114286 0.00933239 31
9315 255 H 26.2489 34.2336 34.5041 -0.00640875 -0.00970313 0.00257062 31
9316 256 H 25.6995 35.9125 34.6235 -0.00891897 0.000257956 -0.00265864 31
9317 257 H 24.038 35.0555 36.4591 0.00580885 0.00518433 0.000661354 31
9318 258 H 24.9136 33.5997 36.4594 0.0098952 -0.00478639 -0.0057252 31
9319 259 H 27.059 35.1646 37.0968 -0.000830861 0.00611051 -0.00445378 31
9320 260 H 25.9557 36.5207 37.0947 0.000572066 -0.00346545 -0.0040086 31
9321 261 H 24.5543 35.1717 38.8227 0.00326128 -0.00837537 0.0135685 31
9322 262 H 25.9723 34.0943 38.9345 0.00421542 -0.000452707 0.00587075 31
9323 263 H 27.3665 35.9279 39.7454 0.00263145 0.00390166 -0.00675983 31
9324 264 H 26.1091 37.0772 39.2794 -0.000446525 -0.00025268 -0.00049286 31
9325 265 H 25.9629 36.8952 41.6495 -0.00916159 0.00888178 -0.00933455 31
9326 266 H 24.6152 35.8947 41.0471 -0.000738524 -0.00274495 0.00911828 31
9327 267 H 26.1182 33.8513 41.3278 -0.00395813 -0.00630285 0.00472216 31
9328 268 H 27.4312 34.9135 41.969 -0.000458317 -0.0243029 -0.00478677 31
9329 269 H 24.7166 34.5171 43.2187 0.0077207 -0.00749594 -0.0177692 31
9330 270 H 26.1625 33.6203 43.7334 -0.00431547 -0.00272216 3.84654e-05 31
9331 271 H 27.3015 35.9431 44.156 -0.000183061 -0.0109911 -0.00189523 31
9332 272 H 25.652 36.6257 44.0491 -0.000179724 0.00549087 0.0123087 31
9333 273 H 24.968 35.06 45.8321 -0.00244542 0.00160638 0.00133621 31
9334 274 H 26.6897 34.5828 46.0306 0.0211878 0.0141193 0.0042274 31
9335 275 H 26.2253 36.1808 47.6575 -0.0126107 -0.000244096 -0.00218083 31
9336 276 H 27.2949 36.9365 46.4585 -0.000631746 0.00459843 0.004623 31
9337 277 H 25.596 37.3584 46.3825 -0.00964793 0.00253582 0.0260256 31
9338 278 H 23.1713 27.2952 34.8272 0.00241122 0.0112785 -0.00121453 31
9339 279 H 23.7744 26.3995 33.4006 -0.00245638 -0.0105105 0.0119986 31
9340 280 H 26.054 27.4278 34.9173 0.0050135 -0.0122352 -0.00598682 31
9341 281 H 25.586 25.7486 34.7914 -0.00843818 -0.00849675 0.000752794 31
9342 282 H 23.8347 26.2101 36.7268 0.00571263 -0.00565728 0.0121707 31
9343 283 H 24.5541 27.8326 36.8398 -0.000912026 0.00178263 1.20159e-05 31
9344 284 H 26.6174 26.8305 37.8028 0.0105814 -0.0181818 0.0095935 31
9345 285 H 25.9757 25.173 37.3919 0.0165469 0.00481644 0.00102747 31
9346 286 H 24.1476 25.5878 38.96 -0.00762763 0.00310635 0.0117292 31
9347 287 H 24.5861 27.2721 39.1788 -0.00376374 0.00141356 -0.00433832 31
9348 288 H 26.7822 26.5376 40.1835 0.000363953 -0.00460935 0.000403363 31
9349 289 H 26.222 24.8743 40.1302 -0.00507434 4.64903e-05 -0.0160324 31
9350 290 H 24.2677 25.5719 41.6126 -0.00804475 0.00355316 -0.00257964 31
9351 291 H 24.8877 27.2218 41.5653 0.00709675 0.00291427 0.0033777 31
9352 292 H 27.0473 26.235 42.6968 0.00282746 -0.00302818 0.00264518 31
9353 293 H 26.3066 24.6931 42.7358 -0.00816985 -0.00484945 0.00203832 31
9354 294 H 24.4765 25.6131 44.2665 0.00245115 -0.00628883 -0.00123663 31
9355 295 H 25.3232 27.1668 44.2796 -0.0126909 -0.00488814 0.00435432 31
9356 296 H 27.344 26.2327 45.3018 -0.00564122 0.00206826 -0.00390132 31
9357 297 H 26.5985 24.6201 45.3278 -0.00624284 0.000443442 0.00798891 31
9358 298 H 26.4898 25.3629 47.4841 -0.00577098 -0.00276355 0.000234623 31
9359 299 H 24.8727 25.5392 46.9413 -0.000217627 -0.000552922 0.0234776 31
9360 300 H 26.8469 27.8978 47.0005 0.000458298 0.000279038 0.011988 31
9361 301 H 25.7542 27.4894 48.322 0.0190961 0.00247851 0.000837928 31
9362 302 H 25.101 28.0027 46.7853 0.00622158 0.000102366 -0.00164188 31
9363 1 C 29.4441 40.6324 31.5212 0.000746441 -0.00274995 -0.00170521 32
9364 2 C 29.5809 40.5527 30.1518 0.0030215 0.00141491 0.00087692 32
9365 3 C 28.9766 39.5262 29.4561 0.00128533 -0.000834263 -0.00429413 32
9366 4 C 28.1883 38.5984 30.1351 -0.0010535 0.0011315 0.00213049 32
9367 5 C 28.0357 38.6728 31.5603 0.00349576 -0.00022031 0.000178534 32
9368 6 C 28.6426 39.7447 32.2953 0.000869335 0.000278016 0.0037627 32
9369 7 C 23.5247 37.3226 31.072 0.00153987 0.00103046 0.000308034 32
9370 8 C 23.7124 37.2549 29.6794 0.0023668 -0.00138657 -0.00122647 32
9371 9 C 24.9957 37.2167 29.1016 0.00012 0.000918241 0.00172443 32
9372 10 C 26.1329 37.3694 29.9381 0.00127552 -0.00607044 -0.000629525 32
9373 11 C 25.9564 37.3758 31.3691 0.000339084 0.00158679 0.00494964 32
9374 12 C 24.6385 37.3889 31.9326 -0.00307398 0.00174968 -0.000640219 32
9375 13 C 29.2797 34.0958 31.5523 0.000625641 -0.00144 0.00163219 32
9376 14 C 29.434 34.1686 30.1902 0.00148995 -0.00346832 0.00422059 32
9377 15 C 28.9296 35.2427 29.4693 -0.00277248 -0.00105393 0.000321029 32
9378 16 C 28.2108 36.2272 30.1382 -0.0033916 0.0010903 0.00259019 32
9379 17 C 27.5704 37.4037 29.4339 0.0015444 -0.00178754 0.00198338 32
9380 18 O 28.5092 34.9597 33.6652 -0.000634028 -0.000721731 -0.00072183 32
9381 19 O 24.4258 37.5213 33.3015 -0.00277213 -0.00280065 0.000364622 32
9382 20 O 28.6036 39.9268 33.6683 -0.00127763 0.0022859 0.00231347 32
9383 21 C 28.6298 35.1052 32.2695 -0.0045035 0.000963168 -0.00266905 32
9384 22 C 27.7672 37.4239 27.9457 0.00202952 0.00138847 0.00126429 32
9385 23 C 28.1979 37.4391 26.8201 -0.000610429 0.00302484 0.00155367 32
9386 24 C 28.923 37.4017 25.6047 -0.000573875 -0.00141242 0.000439149 32
9387 25 C 29.5741 38.5532 25.1524 -0.00446997 -9.46098e-05 0.00195961 32
9388 26 C 30.4422 38.5154 24.0306 0.00288709 0.00420842 -0.00231953 32
9389 27 C 30.7134 37.2869 23.3935 8.30079e-06 0.00451034 0.00392152 32
9390 28 C 30.0541 36.1025 23.8461 0.000478418 0.00146675 0.00194738 32
9391 29 C 29.1736 36.1845 24.9407 -0.0031349 -0.00340126 -0.00291649 32
9392 30 C 31.5698 37.2264 22.2697 0.00221428 0.00447918 0.00643455 32
9393 31 C 32.1031 37.2753 21.1775 -0.00271644 0.00326891 0.0054161 32
9394 32 C 30.5258 34.256 18.4495 -0.0046571 0.00257854 -0.00478822 32
9395 33 C 30.6809 34.4306 17.0598 -0.00390566 -0.00299696 -0.00229825 32
9396 34 C 31.4389 35.5144 16.5581 0.00172592 0.00236057 -0.00428587 32
9397 35 C 32.0369 36.3646 17.4781 -0.00221983 -0.00263012 -0.00175324 32
9398 36 C 31.8529 36.2244 18.877 0.00326638 -0.00403012 0.00118963 32
9399 37 C 31.082 35.1723 19.3476 0.000687568 -0.00345659 0.00355088 32
9400 38 C 32.5089 37.35 19.7611 -0.00119917 0.000785316 0.00256111 32
9401 39 C 36.3639 37.3011 19.6616 0.000374739 -0.00362626 -0.00211575 32
9402 40 C 36.5778 37.3805 18.259 0.000254276 -0.00396839 -0.00136352 32
9403 41 C 35.5033 37.3749 17.4037 0.00055966 -0.000425724 2.89605e-06 32
9404 42 C 34.1916 37.3698 17.9611 0.00214891 -0.00241971 0.00178152 32
9405 43 C 33.9855 37.3041 19.3505 -0.00324102 0.00264551 0.00383431 32
9406 44 C 35.0666 37.2283 20.2435 9.35029e-05 -0.0024112 0.000208225 32
9407 45 C 30.846 40.8163 19.0571 -0.0016682 -0.00119958 -0.00241256 32
9408 46 C 30.9403 40.7952 17.66 0.000692589 0.00389184 -0.00571926 32
9409 47 C 31.6176 39.7714 17.0183 0.00625651 0.00551953 0.000150504 32
9410 48 C 32.1958 38.7362 17.7232 -0.00096709 0.00265828 0.00136575 32
9411 49 C 32.9293 37.5407 17.1213 0.002213 -0.00035899 -0.000736148 32
9412 50 C 32.0194 38.6686 19.1159 0.000905236 0.00257612 -0.0017821 32
9413 51 C 31.3938 39.7582 19.7935 -0.00182697 -0.00130494 0.000465705 32
9414 52 O 35.8019 37.354 16.0354 0.000523674 0.000566479 -2.06955e-05 32
9415 53 O 31.551 35.8221 15.2482 0.000543408 -0.000142645 -4.78591e-05 32
9416 54 O 31.6265 39.6876 15.6642 -0.00152571 -0.000461512 0.00361692 32
9417 55 C 27.3045 37.4273 32.1311 0.00146921 0.000451255 -0.00224932 32
9418 56 C 28.0779 36.1889 31.5636 -0.000751514 0.0037895 -0.00111473 32
9419 57 C 35.6332 36.1072 15.403 0.00183355 -0.000760553 0.00268963 32
9420 58 C 36.3039 36.0657 14.0415 -0.00250718 -0.00426369 0.00106062 32
9421 59 C 35.4152 36.6376 12.8982 0.00361756 0.000673638 -0.00502613 32
9422 60 C 35.8998 36.2533 11.48 -0.00426511 -0.00237192 -0.000975908 32
9423 61 C 34.8999 36.7456 10.4135 0.000860998 -0.00250896 0.00273324 32
9424 62 C 35.2514 36.2624 8.97667 -0.00370551 0.000234584 -0.000782548 32
9425 63 C 34.2799 36.8402 7.94654 0.00141871 0.000230926 -0.00597953 32
9426 64 C 34.7566 36.9401 6.48141 0.000129857 0.00279555 -0.00181343 32
9427 65 C 33.5975 36.7023 5.55146 -0.000478002 -0.00371859 0.0038974 32
9428 66 C 33.7397 37.2 4.08908 -0.0027707 0.00505534 0.00229256 32
9429 67 C 34.2699 36.0972 3.14787 0.000550245 0.00376127 -0.000744492 32
9430 68 C 34.1875 36.5119 1.66244 0.00147931 -0.00261132 -0.0007406 32
9431 69 F 31.0946 39.6513 23.6755 0.00126011 0.000761092 -0.00149231 32
9432 70 C 31.2786 34.9487 14.1548 0.000843691 -0.000386921 -0.00039706 32
9433 71 C 31.3765 35.753 12.8566 -0.00304644 0.000589317 -0.00131279 32
9434 72 C 31.3102 34.9762 11.541 -0.00257006 -0.00311662 -0.00101549 32
9435 73 C 29.9128 34.8433 10.8938 0.000547456 -0.00273033 0.00242282 32
9436 74 C 30.0219 34.4282 9.40043 0.000416804 0.00412808 -0.00332341 32
9437 75 C 30.2168 35.618 8.48699 -0.00145587 -0.000171177 0.00455315 32
9438 76 C 30.7318 35.3102 7.03994 -0.00443568 -0.00109343 0.000857449 32
9439 77 C 29.8482 34.3104 6.29147 -0.00265513 0.000650313 0.00207289 32
9440 78 C 30.5355 33.6741 5.04416 -0.00098432 0.00191418 -0.00095591 32
9441 79 C 30.8571 34.6458 3.87699 0.00132434 -0.00272257 0.000566307 32
9442 80 C 29.6207 35.2898 3.19141 -0.00483745 0.000207898 -0.0018188 32
9443 81 C 28.6411 34.2532 2.62742 -0.000368404 0.00664778 -0.00400024 32
9444 82 C 32.4894 40.4036 14.8122 -0.000905088 -0.00243847 0.00271918 32
9445 83 C 33.135 39.3862 13.8807 -0.00373569 0.000887048 -0.00320307 32
9446 84 C 33.3579 40.0129 12.456 -0.000518714 -0.00309511 0.000493932 32
9447 85 C 34.465 41.067 12.3198 -0.0012782 -0.000381919 0.00351044 32
9448 86 C 34.5245 41.8348 10.9627 0.00069774 -0.00285761 -0.00109554 32
9449 87 C 34.6311 40.9262 9.72803 0.00374335 -0.00293836 0.00275812 32
9450 88 C 34.3482 41.764 8.42702 0.00194516 0.00218715 0.0054925 32
9451 89 C 34.3076 40.8302 7.21244 0.00182123 0.00293897 -0.000847781 32
9452 90 C 34.1253 41.6008 5.89608 -0.0013977 -0.00294792 -0.000648013 32
9453 91 C 34.0342 40.6576 4.6666 0.000108956 -0.00367835 0.0012479 32
9454 92 C 34.0195 41.4323 3.30541 0.00469346 0.000945677 0.0014678 32
9455 93 C 33.6246 40.582 2.12849 0.00457332 0.000117481 -0.000900391 32
9456 94 C 23.0576 37.6098 33.8443 -0.00341713 -7.96086e-05 0.00130265 32
9457 95 C 23.0518 37.6719 35.3648 -0.00243795 -0.00462259 -0.000268051 32
9458 96 C 21.7314 37.3858 36.1157 0.00211529 0.000759234 -0.000935515 32
9459 97 C 22.014 37.0647 37.6007 0.000873136 -0.00126962 0.00555785 32
9460 98 C 22.0925 38.289 38.5123 -0.00488751 0.00149128 -0.000108548 32
9461 99 C 22.6783 38.0431 39.9364 -0.00495581 -0.00257035 -0.000306071 32
9462 100 C 21.7717 37.6331 41.1389 0.00131919 -0.00173838 -0.00013486 32
9463 101 C 22.4824 37.7438 42.4739 0.00118221 -0.00298087 0.0014735 32
9464 102 C 21.6982 37.2092 43.6524 -0.0013009 -0.00169521 0.00206739 32
9465 103 C 22.5909 36.9698 44.9138 0.00338462 -0.000296294 -0.00640436 32
9466 104 C 21.8371 37.0132 46.2606 0.000593649 -0.00222237 -0.00819373 32
9467 105 C 22.7175 36.6783 47.4672 0.00232478 0.00301764 -0.00364083 32
9468 106 C 29.1166 41.1813 34.2193 0.00102472 0.00123741 -0.00630855 32
9469 107 C 28.8861 41.3454 35.7231 0.00168714 -0.0013517 -0.000909551 32
9470 108 C 29.3989 42.6797 36.2752 0.000378537 -0.004231 -0.00153227 32
9471 109 C 29.1418 42.8793 37.7784 0.0050718 0.00292971 0.00288152 32
9472 110 C 29.9876 41.9923 38.7193 0.00129357 -0.000789933 0.00405154 32
9473 111 C 29.4625 41.8753 40.1802 -0.00267388 -0.00545252 0.0035663 32
9474 112 C 29.4085 43.2061 40.9944 -0.00249037 -0.00323941 0.000670079 32
9475 113 C 29.2559 43.0089 42.5089 -0.00112322 -0.00135142 0.00240816 32
9476 114 C 30.3189 42.0963 43.2303 -0.00622244 0.00138332 0.00198788 32
9477 115 C 30.3955 42.2641 44.7658 0.00553045 0.00165557 -0.00471901 32
9478 116 C 29.1088 41.8841 45.5314 0.00455938 0.00213767 3.1496e-05 32
9479 117 C 29.2724 41.9584 47.073 0.00188749 -0.000198797 0.000356131 32
9480 118 C 29.0939 33.8307 34.295 -0.00390105 0.00568927 0.00280785 32
9481 119 C 28.9477 33.758 35.8094 0.00131515 0.00211931 0.000142081 32
9482 120 C 29.755 32.5586 36.3744 -0.00107458 -0.00133708 -0.00176855 32
9483 121 C 29.4435 32.2275 37.8373 0.00200855 0.00282614 0.00412893 32
9484 122 C 29.3029 33.5127 38.7063 0.00204651 -0.00360918 0.00175964 32
9485 123 C 29.1662 33.2472 40.2031 0.00425835 -0.00251544 0.00233792 32
9486 124 C 30.4523 32.8415 40.9453 0.000274115 -0.00279788 0.00167643 32
9487 125 C 30.3997 33.2463 42.4307 -0.00264754 0.00113727 -0.000523273 32
9488 126 C 29.28 32.6275 43.2873 -0.00192043 -0.000564795 -0.00090189 32
9489 127 C 29.2041 33.3069 44.6763 -0.000430093 0.000254545 0.00231566 32
9490 128 C 30.5498 33.4456 45.3872 -0.00183607 0.00339776 0.00159101 32
9491 129 C 30.3201 33.8863 46.866 0.00175773 -0.000672049 -0.000785622 32
9492 130 F 29.3672 39.7154 25.7709 0.000144735 0.00107979 -0.0012708 32
9493 131 H 29.9838 41.4647 31.9632 0.000606895 -0.00298178 -0.00109904 32
9494 132 H 30.1578 41.2972 29.6113 -0.0044853 0.00425232 -0.00323806 32
9495 133 H 29.1887 39.4842 28.3919 0.00978768 -0.00394488 -0.00248485 32
9496 134 H 22.5034 37.309 31.441 0.00347783 -0.0042648 0.00547368 32
9497 135 H 22.883 37.1642 28.9843 0.000795823 -0.00146982 0.000666783 32
9498 136 H 25.0974 37.3036 28.0239 3.93294e-06 -0.0024521 0.00145055 32
9499 137 H 29.774 33.2418 32.0059 0.00507499 0.00280343 0.00477827 32
9500 138 H 29.9294 33.374 29.6399 -0.0152432 -0.00172153 -0.0134113 32
9501 139 H 29.0468 35.2382 28.3896 -0.00496763 -0.00602508 0.000100638 32
9502 140 H 30.2676 35.1889 23.2992 -0.00372419 0.00146325 0.000320032 32
9503 141 H 28.6984 35.2648 25.269 -0.0095321 -0.00244059 -0.00947151 32
9504 142 H 29.951 33.4303 18.8584 -0.00874698 0.00477116 -0.00611907 32
9505 143 H 30.182 33.7512 16.375 0.00311669 -0.00384604 -0.00657471 32
9506 144 H 30.9135 35.0259 20.4104 0.00205556 -0.0146734 0.00222694 32
9507 145 H 37.1869 37.3306 20.3696 -0.00585363 0.00133671 0.00495196 32
9508 146 H 37.5684 37.5325 17.8406 -0.00541373 -0.0119115 -0.0176492 32
9509 147 H 34.9475 37.1824 21.3219 0.0182728 -0.00156089 0.002269 32
9510 148 H 30.4025 41.6736 19.5547 0.0127588 0.00372037 0.00199838 32
9511 149 H 30.5401 41.5967 17.0461 0.00230759 0.0112338 0.00282808 32
9512 150 H 33.1747 37.6361 16.0564 0.00295055 -0.00446628 -0.000934392 32
9513 151 H 31.3135 39.7499 20.8765 0.0156665 0.0187937 0.00190501 32
9514 152 H 27.1821 37.4064 33.2211 0.0118541 0.00735452 -0.000961559 32
9515 153 H 36.1336 35.3424 16.0097 -0.0208212 -0.0207793 -0.00382064 32
9516 154 H 34.5661 35.8571 15.3568 0.00136973 0.00300307 -0.00667145 32
9517 155 H 36.5204 35.0137 13.8185 0.00465503 -0.00271155 0.000693339 32
9518 156 H 37.2644 36.593 14.0948 -0.00577158 0.0014333 0.0036072 32
9519 157 H 35.3529 37.7324 12.9276 -0.0203212 -0.000294429 -0.01903 32
9520 158 H 34.3844 36.2969 13.0555 0.00603507 -0.00433357 -4.48681e-05 32
9521 159 H 35.9563 35.1614 11.3913 0.00151284 -0.00215753 0.000132727 32
9522 160 H 36.8911 36.6709 11.2647 -0.00359216 6.14722e-05 0.00687045 32
9523 161 H 34.8598 37.8405 10.4692 0.00281845 -0.00264399 0.00686733 32
9524 162 H 33.8876 36.3691 10.6058 -0.00101558 0.00551591 0.00849126 32
9525 163 H 35.2724 35.1669 8.9225 -1.27409e-05 0.000158546 0.00215076 32
9526 164 H 36.26 36.5889 8.6948 -0.00537102 -0.00121018 -0.00842715 32
9527 165 H 34.0251 37.8689 8.22964 -0.0254791 -0.00533623 -0.0099288 32
9528 166 H 33.3632 36.2453 8.04215 -0.00749251 0.0140821 -0.00534876 32
9529 167 H 35.5247 36.1783 6.29969 0.00400685 0.00629284 -9.75573e-05 32
9530 168 H 35.2187 37.9193 6.30529 0.00801859 -0.00194334 -0.00749745 32
9531 169 H 32.7069 37.2224 5.92532 -0.000374877 0.00538957 -0.0084828 32
9532 170 H 33.2505 35.6617 5.55593 0.00350548 -0.00505623 -6.04987e-05 32
9533 171 H 34.4544 38.0311 4.04551 -0.00226251 0.00459123 0.0017653 32
9534 172 H 32.7921 37.5751 3.6832 -0.00593162 -0.00259153 0.00261344 32
9535 173 H 33.6087 35.2296 3.26443 -0.00447212 0.00924203 0.0116306 32
9536 174 H 35.3109 35.8483 3.38844 0.00243906 0.0109833 -0.00141161 32
9537 175 H 34.9113 37.3242 1.52225 0.00121054 -0.00191559 0.00186924 32
9538 176 H 33.1904 36.8942 1.41149 -0.0010698 -0.00143003 0.0111618 32
9539 177 H 34.4378 35.6648 1.01186 0.00139284 0.00766391 -0.0141415 32
9540 178 H 32.0265 34.1465 14.1765 0.00640139 0.00474196 -0.00294889 32
9541 179 H 30.3044 34.4543 14.2552 -0.00437498 0.00697674 -0.0150206 32
9542 180 H 30.6282 36.5542 12.8195 -0.0106821 -0.00672891 -0.00533477 32
9543 181 H 32.3257 36.3029 12.8461 -0.00731344 0.00799147 0.000204067 32
9544 182 H 31.9121 35.5586 10.8325 -0.0152512 0.00260343 -0.00711564 32
9545 183 H 31.7284 33.9714 11.6788 0.00686116 -0.000940205 -0.013922 32
9546 184 H 29.3232 34.1019 11.4471 -0.00740559 0.00428744 0.00335383 32
9547 185 H 29.3875 35.8008 10.9964 -0.0082047 -0.00620599 -0.0101595 32
9548 186 H 30.8337 33.6907 9.37927 -0.00129848 0.0020965 0.000987972 32
9549 187 H 29.086 33.9329 9.11372 0.010322 -0.00674539 -0.0168128 32
9550 188 H 29.3008 36.2129 8.38498 0.00467808 0.00958409 0.00616541 32
9551 189 H 30.9388 36.3109 8.93637 -0.00396733 0.0022218 0.00490686 32
9552 190 H 30.8464 36.2368 6.46399 -0.000250274 0.00560897 0.0124584 32
9553 191 H 31.7592 34.9308 7.10218 -0.00476512 -0.000477121 0.0100615 32
9554 192 H 29.5434 33.4819 6.9427 0.00258499 -0.00763218 -0.0059949 32
9555 193 H 28.9552 34.8543 5.95981 0.00348701 0.00793222 -0.00257519 32
9556 194 H 31.4764 33.192 5.33677 -0.00419238 -0.00592677 -0.0035505 32
9557 195 H 29.913 32.8678 4.637 -0.0110834 0.00849123 0.00148238 32
9558 196 H 31.4598 35.4827 4.25066 0.00852464 -0.00448545 -0.00709943 32
9559 197 H 31.4809 34.1415 3.12868 -0.00320273 0.0160484 -0.0158639 32
9560 198 H 29.142 35.837 4.01285 -0.0143966 -0.00371257 -0.00479726 32
9561 199 H 29.9193 36.0159 2.42524 0.00303023 0.00537499 0.00614117 32
9562 200 H 27.7512 34.7708 2.24836 -0.0085985 -0.00177441 0.0038157 32
9563 201 H 29.0404 33.6611 1.79474 0.00987754 0.000642063 0.00520874 32
9564 202 H 28.273 33.5758 3.40783 0.0015585 0.0124105 0.00191127 32
9565 203 H 31.9187 41.2015 14.3211 0.00485324 -0.000564195 -0.000914542 32
9566 204 H 33.2993 40.9049 15.3564 -0.00121289 -0.00350744 0.00415942 32
9567 205 H 34.0422 39.0009 14.3625 -0.00467376 0.0194857 0.0134068 32
9568 206 H 32.5788 38.4508 13.7427 -0.00443478 0.000671009 0.00113509 32
9569 207 H 33.6154 39.2015 11.7641 0.0048766 -8.7839e-05 -0.00103258 32
9570 208 H 32.3954 40.4141 12.1153 -0.00133211 0.00813803 0.0160517 32
9571 209 H 34.3706 41.7914 13.1381 0.0157228 0.00817985 -0.0020918 32
9572 210 H 35.479 40.6636 12.4319 0.00213554 0.0032602 -0.0139994 32
9573 211 H 33.6265 42.4584 10.8729 0.0214102 0.0275935 0.00334301 32
9574 212 H 35.3932 42.5036 11.0021 0.00186635 -0.00442325 -0.000251547 32
9575 213 H 35.6096 40.4353 9.65827 -0.00257434 -0.018227 0.0219505 32
9576 214 H 33.8688 40.1426 9.81942 0.00111064 -0.000627939 0.000624797 32
9577 215 H 33.4146 42.3248 8.55896 -0.00146389 0.000933006 -0.0135716 32
9578 216 H 35.1222 42.5311 8.30093 0.00799265 -0.00607238 -0.00753439 32
9579 217 H 35.2177 40.2201 7.15963 0.00058009 0.00137534 -0.00424992 32
9580 218 H 33.5065 40.0925 7.34451 -0.000720264 0.00651123 0.003672 32
9581 219 H 33.2264 42.2295 5.89568 0.00224092 0.00226908 -0.0078772 32
9582 220 H 34.9862 42.2755 5.81142 -0.000976792 -0.00240655 0.00787398 32
9583 221 H 34.8584 39.9348 4.70675 0.00105181 -0.00244721 0.00401733 32
9584 222 H 33.1098 40.0735 4.7541 0.00864082 -0.0175103 -0.00099312 32
9585 223 H 33.3388 42.2866 3.40624 0.00643095 0.00288356 -0.00327134 32
9586 224 H 35.0355 41.7913 3.10005 0.00224634 0.00369583 -0.00581618 32
9587 225 H 34.2991 39.7174 2.09805 -0.000759407 -0.00352243 -0.0156158 32
9588 226 H 32.6406 40.1244 2.28844 0.00586008 0.00215299 0.0128796 32
9589 227 H 33.6961 41.0655 1.1464 0.000402208 -0.00129666 -0.00189993 32
9590 228 H 22.5882 38.5236 33.4594 -0.00288277 -0.00210304 -0.00414445 32
9591 229 H 22.452 36.743 33.5522 -0.00239641 0.00296179 -0.00981171 32
9592 230 H 23.8045 36.9536 35.7124 0.0127352 0.0186042 0.0147067 32
9593 231 H 23.3385 38.693 35.645 -0.00643363 -0.00795071 0.0158807 32
9594 232 H 20.9789 38.1798 36.0342 -0.00852011 -0.00881241 0.00368582 32
9595 233 H 21.1804 36.5843 35.6082 0.00760718 0.00412963 -0.0122414 32
9596 234 H 21.2986 36.3216 37.9742 -0.00384357 0.000263433 -0.000439065 32
9597 235 H 22.9704 36.5358 37.6953 0.00377301 0.00387435 0.00497537 32
9598 236 H 22.7389 38.9876 37.9669 -0.00307963 -0.011236 -0.0143315 32
9599 237 H 21.0928 38.737 38.5706 0.000432604 0.0123037 0.00777278 32
9600 238 H 23.5514 37.3869 39.8339 0.00372483 0.00717892 0.011142 32
9601 239 H 23.1185 39.0178 40.1809 -0.00489538 -0.00396501 0.00511855 32
9602 240 H 20.9205 38.3225 41.1994 0.00873218 0.00634751 0.0121063 32
9603 241 H 21.3694 36.632 40.9403 0.00395908 -0.00490774 0.0106011 32
9604 242 H 23.4415 37.2125 42.5081 -0.00161382 -0.00730751 0.013683 32
9605 243 H 22.6986 38.8052 42.6473 -0.00635279 -0.00250413 0.00792639 32
9606 244 H 20.883 37.8902 43.9264 0.000874079 0.00935082 -0.0191001 32
9607 245 H 21.236 36.2509 43.3854 0.00111369 -0.00198793 -0.00105455 32
9608 246 H 23.1177 36.0096 44.8509 0.00887495 0.00207951 0.00301926 32
9609 247 H 23.3762 37.7295 45.0123 -0.00253657 0.00352913 0.0115555 32
9610 248 H 21.414 38.0222 46.3398 -0.000345359 -0.002403 -0.0108461 32
9611 249 H 20.9952 36.3098 46.2558 0.00458774 -0.00699843 -0.00888627 32
9612 250 H 23.4528 37.4599 47.695 0.00375272 0.00264275 -0.00698395 32
9613 251 H 22.1087 36.6154 48.3776 -0.00396033 0.0151598 -0.00696984 32
9614 252 H 23.3222 35.782 47.2819 -0.00649811 -0.00462168 0.00471908 32
9615 253 H 30.1981 41.2017 34.0367 0.00375203 -0.000531053 0.00968333 32
9616 254 H 28.663 42.0264 33.6867 -0.0197388 -0.00904985 -0.00494802 32
9617 255 H 27.8096 41.3916 35.9289 0.00259022 0.01789 -0.000401947 32
9618 256 H 29.2933 40.5004 36.2919 -0.0187359 -0.0121639 -0.0023227 32
9619 257 H 30.4464 42.8885 36.025 -0.00114964 0.00157529 -0.00315159 32
9620 258 H 28.9301 43.4962 35.7122 0.00468821 -0.00112975 -0.000628632 32
9621 259 H 29.273 43.9324 38.0565 0.0040756 0.00285013 0.00365948 32
9622 260 H 28.0796 42.7149 37.9977 0.00625288 -0.00613393 0.00177202 32
9623 261 H 30.1453 40.9945 38.2915 -0.0173647 -0.00067252 -0.00300196 32
9624 262 H 31.0149 42.3741 38.7668 -0.00225757 0.0106605 -0.0117507 32
9625 263 H 28.5015 41.3466 40.1987 -0.000665426 -0.00922434 0.000206419 32
9626 264 H 30.1438 41.2116 40.7269 0.0049061 0.00748137 0.00985477 32
9627 265 H 30.3525 43.7137 40.7608 0.00293472 -0.0154447 -0.00403758 32
9628 266 H 28.5778 43.8235 40.6308 -0.00762108 -0.00266883 0.0133515 32
9629 267 H 29.3704 43.959 43.0452 -0.0010521 0.00127867 -0.00229979 32
9630 268 H 28.2425 42.6759 42.7652 0.00308326 -0.0145123 0.00188794 32
9631 269 H 30.1429 41.0392 42.9957 0.0037511 -0.00511477 0.0237628 32
9632 270 H 31.3205 42.3814 42.8857 -0.0055122 -0.00117138 0.00194268 32
9633 271 H 31.2751 41.7086 45.1138 0.00480801 -0.00168488 -0.00823198 32
9634 272 H 30.6408 43.2997 45.0318 0.0034625 0.00205862 -0.00438625 32
9635 273 H 28.2754 42.5354 45.2402 -0.00291766 -0.00397681 0.00768094 32
9636 274 H 28.7902 40.8655 45.2776 0.00548693 0.00112245 0.00293842 32
9637 275 H 29.5214 42.9794 47.3876 0.0099933 -0.000819985 -0.00405845 32
9638 276 H 28.3448 41.6897 47.5935 -0.00401517 0.00295924 -0.00854522 32
9639 277 H 30.0583 41.2978 47.4593 -0.000888673 -0.00528605 -0.00271127 32
9640 278 H 28.7166 32.8935 33.8676 -0.00176496 0.00399918 0.00461604 32
9641 279 H 30.1714 33.8234 34.0894 -0.00413763 0.00507988 0.00158626 32
9642 280 H 27.8802 33.5743 35.9826 0.000723398 0.00610505 0.000705465 32
9643 281 H 29.206 34.7009 36.3069 0.0107298 0.0013461 -0.00329056 32
9644 282 H 30.823 32.7937 36.2871 -0.00170939 0.000835575 -0.00369187 32
9645 283 H 29.5764 31.649 35.7879 -0.0107065 0.00308373 -0.00569742 32
9646 284 H 30.1573 31.4965 38.2368 0.00343143 -0.00481129 -0.0123588 32
9647 285 H 28.4404 31.7845 37.8674 0.000678755 0.0057014 0.00236419 32
9648 286 H 28.4076 34.0726 38.4093 0.00091347 -0.0108603 -0.00849306 32
9649 287 H 30.1906 34.1398 38.5573 -0.0096054 0.00866731 -0.0158825 32
9650 288 H 28.397 32.4893 40.3963 0.0020532 -0.00340923 -0.00996754 32
9651 289 H 28.8025 34.1935 40.6221 0.00442102 0.00150942 -0.0066121 32
9652 290 H 31.28 33.3828 40.4708 0.000288374 -0.0111153 -0.00777601 32
9653 291 H 30.6082 31.7609 40.8387 -0.00108685 -0.00368094 0.00866054 32
9654 292 H 30.3137 34.3397 42.4528 0.0083314 0.0020497 -0.00265983 32
9655 293 H 31.381 33.02 42.8657 -0.00317489 -0.0188356 -0.00973909 32
9656 294 H 29.4763 31.558 43.4325 0.0248176 0.00640592 0.0142523 32
9657 295 H 28.3242 32.6815 42.7515 -0.00738688 -0.000545604 0.00887907 32
9658 296 H 28.5895 32.6516 45.3058 -0.000617896 -0.000862696 0.000970946 32
9659 297 H 28.6718 34.2632 44.6014 -0.00571157 -0.00167854 0.0151162 32
9660 298 H 31.1324 34.222 44.8761 -0.00639941 0.00511008 -0.00102046 32
9661 299 H 31.0952 32.4939 45.3714 0.00431947 0.00715435 -0.0110595 32
9662 300 H 29.9086 33.0784 47.4835 0.00177699 0.00466289 0.00621754 32
9663 301 H 29.6703 34.7669 46.9412 0.00871981 0.00356316 0.00992705 32
9664 302 H 31.2762 34.1789 47.3174 0.0074505 -0.00346555 -0.0110259 32
9665 1 C 33.2303 34.1099 31.1995 9.14489e-05 -0.00116626 0.000959302 33
9666 2 C 33.4403 33.991 29.8227 0.00122235 0.00158734 -0.000648158 33
9667 3 C 32.8832 32.9347 29.1357 0.00147101 0.000820707 -0.00159678 33
9668 4 C 32.1978 31.9524 29.863 0.00408479 0.00505617 -0.0013612 33
9669 5 C 31.9537 32.0636 31.2624 -0.00056521 0.00075485 -0.00171062 33
9670 6 C 32.5104 33.1847 31.9769 0.0010633 0.00430996 -0.00336624 33
9671 7 C 27.5029 30.6838 30.6142 -0.00181637 -0.00277896 0.00501936 33
9672 8 C 27.6396 30.76 29.2288 0.00522332 -0.00456921 -0.00487393 33
9673 9 C 28.945 30.7647 28.7086 0.00477163 0.000191737 -0.00332413 33
9674 10 C 30.0287 30.7459 29.5796 -0.00279005 -0.0029768 0.00299075 33
9675 11 C 29.8824 30.7495 30.999 2.35911e-05 -0.00132624 0.000215764 33
9676 12 C 28.5654 30.7429 31.5194 -0.000127891 0.000565087 0.00136088 33
9677 13 C 33.1537 27.4236 31.2989 0.00150969 0.00150707 -0.00408388 33
9678 14 C 33.3171 27.4037 29.926 -0.00107711 0.00235559 0.00210345 33
9679 15 C 32.7464 28.4619 29.1661 0.00217818 -0.00108664 -0.00260829 33
9680 16 C 32.106 29.5437 29.8477 -0.00146103 -0.00556858 0.00088776 33
9681 17 C 31.4921 30.7537 29.1522 0.00193462 -0.00122745 0.00116677 33
9682 18 O 32.3886 28.3376 33.3706 0.00272024 -0.00112235 -0.00220907 33
9683 19 O 28.3148 30.7896 32.8907 -0.00149553 -0.00341965 0.0021395 33
9684 20 O 32.3638 33.3711 33.3672 0.00253488 -0.00244864 -0.00113171 33
9685 21 C 32.4946 28.4506 32.0182 0.00485535 -0.000992209 0.0028229 33
9686 22 C 31.7857 30.7218 27.715 0.00144443 0.0068432 -0.00420979 33
9687 23 C 32.3046 30.6493 26.6384 -0.000148598 0.00418015 -0.00115661 33
9688 24 C 33.191 30.6332 25.5158 -0.00165233 0.00222995 -0.000526379 33
9689 25 C 33.5545 31.8362 24.905 0.00210086 0.00441183 -0.00179172 33
9690 26 C 34.574 31.7731 23.9188 0.00318706 -0.000316021 -0.00239345 33
9691 27 C 35.0979 30.562 23.4848 -0.000862176 -0.00362018 -0.00574881 33
9692 28 C 34.7194 29.414 24.1071 0.00247448 -0.000313443 -0.000189513 33
9693 29 C 33.8135 29.4507 25.1606 -0.00227905 -0.000987471 -0.00213174 33
9694 30 C 35.8259 30.5517 22.228 0.000688644 0.00186054 0.00365694 33
9695 31 C 36.3282 30.5639 21.1267 0.00158415 -0.00177069 0.00235934 33
9696 32 C 35.0739 27.1742 18.8976 -0.00077303 -0.00113982 -0.00364174 33
9697 33 C 35.2686 27.1215 17.5266 0.000779026 6.79581e-05 -0.000904138 33
9698 34 C 35.8463 28.2234 16.8437 -4.63965e-05 0.00273198 -9.34069e-05 33
9699 35 C 36.0556 29.4295 17.5243 0.000590487 0.00135919 0.000498664 33
9700 36 C 35.9508 29.4085 18.9452 -0.00117043 0.000434665 0.00498165 33
9701 37 C 35.4409 28.2937 19.648 -0.00104579 0.00172114 0.00215588 33
9702 38 C 36.5611 30.6282 19.6749 0.00434208 -0.000216942 0.00337518 33
9703 39 C 40.4836 30.6306 19.2205 -0.00466715 0.00198915 0.00240523 33
9704 40 C 40.5045 30.638 17.8204 -0.000838411 -0.0016857 -0.00338965 33
9705 41 C 39.3221 30.7805 17.0751 -0.00433529 0.000432872 -0.000301743 33
9706 42 C 38.0853 30.7338 17.7346 -0.000756929 0.000490854 -0.000416269 33
9707 43 C 38.0216 30.6525 19.152 0.00177932 0.0016508 0.000306621 33
9708 44 C 39.2254 30.6309 19.8722 -0.00297877 -0.00165464 0.00135062 33
9709 45 C 34.5559 33.8465 18.9039 -0.00261061 0.00391321 0.000890034 33
9710 46 C 34.6063 33.8478 17.4842 -0.00350873 0.00326539 0.000919664 33
9711 47 C 35.4114 32.9095 16.8283 -0.00220059 0.0029557 -0.000409541 33
9712 48 C 35.991 31.8637 17.5698 0.00167777 0.00417773 0.0028994 33
9713 49 C 36.7636 30.6803 17.0057 3.57574e-05 -0.00328415 0.0025159 33
9714 50 C 35.8773 31.8408 18.9832 -0.000927454 0.00267029 -0.000927461 33
9715 51 C 35.1705 32.8478 19.6603 0.000412452 0.000608568 -0.000845208 33
9716 52 O 39.322 30.9193 15.7125 -0.00274772 -0.00158553 0.00250719 33
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9718 54 O 35.5268 32.9376 15.4739 0.000190453 0.00394414 0.00311474 33
9719 55 C 31.2181 30.8045 31.7854 -0.00012865 -0.00272361 -0.000238475 33
9720 56 C 31.971 29.5308 31.2769 0.00164872 -0.00322769 0.00527755 33
9721 57 C 39.5645 29.8423 14.8726 0.00374803 0.00465054 -0.00162397 33
9722 58 C 39.2016 30.26 13.4185 0.001779 0.000722284 0.00297465 33
9723 59 C 37.6822 30.4994 13.2407 -0.00123519 -0.000465102 -0.0019601 33
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9725 61 C 38.0905 30.0585 10.6897 -0.00111758 -0.000465838 -3.92571e-05 33
9726 62 C 37.4891 30.4049 9.33012 -0.00196311 0.00238227 0.00356789 33
9727 63 C 38.5415 30.2252 8.23052 0.0018384 0.00268229 0.00146548 33
9728 64 C 37.9077 30.5056 6.86174 0.00195986 -0.00441079 -0.000518071 33
9729 65 C 38.7972 30.1179 5.64397 0.00283715 -0.00605046 -0.00239189 33
9730 66 C 38.0763 30.4089 4.32228 0.000692369 -0.00159642 -0.000131061 33
9731 67 C 38.9496 29.9526 3.15612 -0.00104088 -0.00313323 0.0022269 33
9732 68 C 38.2971 30.1473 1.78518 -0.00119813 0.00262629 0.00187326 33
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9734 70 C 36.4961 26.8893 14.9528 0.000308151 0.002639 0.00278175 33
9735 71 C 37.0173 27.028 13.5296 -0.00064663 0.0037269 -0.00325764 33
9736 72 C 37.4306 25.6859 12.9457 -0.00326946 0.000908644 0.000797494 33
9737 73 C 37.7671 25.7673 11.4348 0.00299334 -0.000935227 -0.00116595 33
9738 74 C 38.4205 24.4387 10.9598 0.00206442 0.00265293 -0.00329726 33
9739 75 C 39.1308 24.507 9.61012 -0.000182564 0.00223314 4.3895e-05 33
9740 76 C 38.2963 24.8373 8.37806 0.00478331 0.000561052 -0.000962585 33
9741 77 C 38.1716 26.3185 8.00401 -0.000810787 -0.00438406 -0.00234055 33
9742 78 C 37.567 26.4986 6.57243 0.00240301 0.00150967 0.00143764 33
9743 79 C 38.5794 26.1864 5.43891 -0.000908246 0.00382338 -0.000315273 33
9744 80 C 37.9124 26.2989 4.0338 0.0015265 -0.000435201 0.00152905 33
9745 81 C 38.7868 25.8103 2.89695 0.00102211 -0.000128132 0.00102168 33
9746 82 C 34.551 32.3763 14.6072 -3.03341e-05 -0.000837103 -3.96075e-06 33
9747 83 C 34.7696 33.0383 13.2229 -0.000924675 -9.50888e-05 0.00191255 33
9748 84 C 34.1208 32.2812 12.0766 -0.00160707 0.00136767 -0.00015859 33
9749 85 C 34.2844 32.9023 10.6745 0.00167282 0.000243206 0.00081361 33
9750 86 C 33.4413 32.1806 9.57528 -0.000309111 0.00426325 -0.000376629 33
9751 87 C 33.2661 33.0295 8.2898 0.00118405 0.00359223 0.000719014 33
9752 88 C 34.3211 32.8528 7.23926 0.00181422 -0.00127852 -0.00863488 33
9753 89 C 33.997 31.655 6.32524 -0.00511699 0.00259425 -4.36569e-06 33
9754 90 C 34.8362 31.7309 5.03745 -0.00448834 -0.00309769 -0.00291333 33
9755 91 C 34.3411 32.8547 4.05977 0.00403778 -0.00141469 -0.00257655 33
9756 92 C 33.86 32.2873 2.70028 -0.000961857 -0.000845707 0.00458664 33
9757 93 C 34.9961 32.0051 1.71008 -0.00563532 -0.00273479 -0.00336405 33
9758 94 C 26.9994 30.4553 33.4251 -0.0017903 -0.00621926 -0.00273318 33
9759 95 C 26.9549 30.9191 34.8888 -0.00102383 -0.00113338 0.00146734 33
9760 96 C 25.6166 30.5673 35.6008 0.00126999 0.00108477 0.000809779 33
9761 97 C 25.5267 31.1691 37.032 0.00173729 -0.00122234 -0.000230448 33
9762 98 C 25.634 30.1048 38.1581 0.00255504 -0.0019216 0.00428278 33
9763 99 C 26.0373 30.866 39.4763 0.00324346 -0.00305864 0.0018273 33
9764 100 C 25.7337 30.0678 40.7557 -0.0013225 -0.00276199 -0.00391955 33
9765 101 C 26.2703 30.747 42.0665 0.00118109 0.00049793 -0.00112171 33
9766 102 C 25.9747 29.8169 43.2576 -0.00172126 -0.00322064 -0.00119985 33
9767 103 C 26.6051 30.2452 44.586 -0.00497744 -0.00259763 -0.00487779 33
9768 104 C 25.6646 31.097 45.4824 0.00370243 0.000817249 0.00121288 33
9769 105 C 26.2219 31.2955 46.84 -0.00314126 -0.000937419 -0.000386381 33
9770 106 C 33.0985 34.4536 34.0227 -0.000219824 -0.00241418 0.00108124 33
9771 107 C 32.8026 34.6956 35.5342 0.00449381 -0.00434768 -0.000789632 33
9772 108 C 33.7919 35.6952 36.1065 -0.00298821 0.0039663 -0.00079711 33
9773 109 C 33.4849 36.2921 37.5079 0.00303407 0.002137 0.000196764 33
9774 110 C 33.3591 35.2709 38.6876 -0.000799847 -0.00407367 -0.00227749 33
9775 111 C 33.7703 35.9143 40.051 0.00266566 0.00607796 0.00151834 33
9776 112 C 33.4189 35.0885 41.3278 0.000493299 0.0020518 0.000355098 33
9777 113 C 34.2106 35.6473 42.5587 -0.00142565 0.00428062 0.00315862 33
9778 114 C 33.6229 35.2639 43.9655 -0.00299297 -0.00264165 -0.000874819 33
9779 115 C 34.4024 36.0241 45.0897 0.000931929 0.00049017 -0.00197898 33
9780 116 C 33.7745 35.9135 46.4872 -0.00367305 -0.00306584 -0.00108844 33
9781 117 C 33.9514 34.5323 47.1269 -0.00129612 -0.00328186 2.82373e-05 33
9782 118 C 32.5007 27.0677 34.1243 0.000354404 0.000749363 -0.00234847 33
9783 119 C 32.7916 27.398 35.5841 -1.53012e-05 0.00447257 0.00127253 33
9784 120 C 33.0899 26.18 36.4916 0.00157049 0.00139845 -5.83326e-05 33
9785 121 C 33.7086 26.6128 37.8568 -0.000126451 0.000471337 0.00253081 33
9786 122 C 33.3769 25.6794 39.0632 3.71765e-05 -0.000470581 -0.0027185 33
9787 123 C 33.8513 26.2155 40.4185 0.00177992 0.00196147 5.31374e-05 33
9788 124 C 33.3387 25.3434 41.5957 -0.00236258 -6.70934e-05 0.000137309 33
9789 125 C 33.922 25.8441 42.9545 0.00176342 0.00124705 0.000432213 33
9790 126 C 33.2004 25.1362 44.1338 -0.000828045 -0.0034284 0.0018499 33
9791 127 C 33.8526 25.4236 45.5228 -0.00275684 -0.00262451 -0.00144323 33
9792 128 C 33.3697 26.7611 46.1028 -1.83052e-05 0.00511908 0.00113947 33
9793 129 C 34.2152 27.1929 47.2934 -0.00110785 0.000542181 -0.0023415 33
9794 130 F 33.05 33.0289 25.3074 -0.00136865 0.000376134 -0.00245451 33
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9801 137 H 33.4975 26.5414 31.8309 0.0100982 0.0123309 0.00832855 33
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9808 144 H 35.395 28.2523 20.7322 0.00346775 -0.00828337 0.00196794 33
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9811 147 H 39.1485 30.6071 20.9552 -0.00644421 -0.00573649 0.00102089 33
9812 148 H 33.9134 34.5685 19.3991 0.00314467 0.0011629 0.0123321 33
9813 149 H 34.0324 34.5433 16.879 -0.00840936 -0.00232111 -0.000863817 33
9814 150 H 36.7825 30.6712 15.9089 0.0108123 0.00740534 0.00264196 33
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9816 152 H 31.1073 30.8092 32.8767 0.0116758 -0.00110821 0.000961251 33
9817 153 H 40.6169 29.5342 14.9033 0.00310985 0.0023607 -0.00265073 33
9818 154 H 38.9182 29.0147 15.1901 0.00701686 0.00989593 0.0187267 33
9819 155 H 39.5131 29.4725 12.7213 -0.00362779 -0.0045024 0.00645961 33
9820 156 H 39.7884 31.1572 13.186 0.0202876 -0.0117075 0.00167302 33
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9823 159 H 36.7894 31.5122 11.5533 0.012864 -0.00196994 0.00485104 33
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9825 161 H 38.2499 28.9733 10.7113 -0.00392568 -0.00081367 0.00303646 33
9826 162 H 39.0769 30.5258 10.799 0.0021509 -0.00700557 -0.00152706 33
9827 163 H 37.0975 31.4296 9.33157 -0.00728323 0.000360751 -0.00287782 33
9828 164 H 36.612 29.7659 9.16928 -0.000537054 0.00150702 -0.000695168 33
9829 165 H 38.9028 29.1905 8.27716 -0.00101397 0.00160607 -0.0003579 33
9830 166 H 39.4383 30.8411 8.37131 0.0035315 0.00280932 -0.00976766 33
9831 167 H 37.6373 31.5661 6.78634 0.00332909 -0.00414702 -0.00172308 33
9832 168 H 36.955 29.9621 6.84277 0.000563918 -0.00182788 -0.00416584 33
9833 169 H 38.9995 29.0424 5.71951 0.0109188 -0.00438002 -0.000251385 33
9834 170 H 39.7592 30.6439 5.67941 0.00610532 -0.0117179 -0.00700916 33
9835 171 H 37.8688 31.484 4.25567 -0.0108559 -0.0031217 0.0111514 33
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9837 173 H 39.1877 28.8951 3.3246 -0.00445728 -0.00375138 0.00321751 33
9838 174 H 39.8351 30.5998 3.13364 -0.00724818 0.0052966 -0.000974887 33
9839 175 H 38.0921 31.2175 1.65829 0.00394109 0.00297778 -0.00338707 33
9840 176 H 37.3429 29.6079 1.74171 0.00262637 -0.0038971 -0.000933233 33
9841 177 H 39.0002 29.7941 1.02072 -0.0150201 -0.00150672 -0.00890011 33
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9844 180 H 36.2862 27.5178 12.8747 -0.00477423 -0.00283691 -0.00354395 33
9845 181 H 37.8686 27.7199 13.5306 0.00702306 -0.00573287 0.00368042 33
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9847 183 H 36.5853 25.0034 13.0979 -0.00621889 0.0043755 -7.90708e-06 33
9848 184 H 36.8803 25.9909 10.829 -0.00247776 -0.00325756 0.00598906 33
9849 185 H 38.4653 26.6034 11.3047 -0.00708193 0.00957458 0.0121837 33
9850 186 H 39.1515 24.0556 11.6824 -0.00898061 -0.0039571 0.00436203 33
9851 187 H 37.6627 23.6564 10.8286 0.00399899 0.00236719 -0.0129175 33
9852 188 H 39.9645 25.208 9.74007 0.0100869 -0.00903039 -0.00517802 33
9853 189 H 39.5694 23.5228 9.40443 0.00660839 0.00424778 0.00492021 33
9854 190 H 38.7812 24.2946 7.55721 0.00702419 0.000113241 0.000654057 33
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9857 193 H 39.136 26.8395 7.95947 -0.00485049 0.00394026 0.00789444 33
9858 194 H 36.6527 25.898 6.48947 0.00181129 0.00209852 0.00366313 33
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9860 196 H 39.3436 26.9709 5.50294 0.0045628 -0.00112412 -0.00545785 33
9861 197 H 38.9811 25.1724 5.55671 -0.00782561 0.002067 0.00824583 33
9862 198 H 37.0132 25.6717 4.07317 -0.00065092 0.00306933 0.00792083 33
9863 199 H 37.5058 27.2973 3.83039 0.00455745 -0.00208599 -0.0125965 33
9864 200 H 38.1819 25.3628 2.0987 0.0091022 0.0120257 -0.0119309 33
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9866 202 H 39.545 25.0885 3.22488 0.00581641 0.00386603 -0.00125719 33
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9869 205 H 34.3512 34.0489 13.3072 -0.00247804 -0.00023131 -0.00428364 33
9870 206 H 35.8504 33.0532 13.0356 -0.00113147 -0.00876571 -4.34955e-05 33
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9873 209 H 33.9719 33.9529 10.7191 0.00344829 0.000238316 0.0132137 33
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9879 215 H 34.3601 33.7549 6.61624 -0.00995515 0.00382015 -0.00197533 33
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9883 219 H 35.904 31.8981 5.22546 -0.00418892 -0.000741017 -0.00666447 33
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9885 221 H 33.5032 33.3696 4.5457 0.00945415 0.000965504 0.0042461 33
9886 222 H 35.1584 33.5701 3.90603 -0.00703259 0.014315 0.0118894 33
9887 223 H 33.2466 31.3943 2.87265 -0.0111834 0.00446652 -0.00418143 33
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9889 225 H 34.631 31.4219 0.855675 -0.00774786 0.00890588 -0.0104358 33
9890 226 H 35.2839 32.9829 1.30458 0.00961883 -0.00242225 0.00827033 33
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9894 230 H 27.8164 30.5194 35.438 -0.000189838 0.00505002 0.0046716 33
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9902 238 H 27.119 31.032 39.3996 0.00399847 -0.0073359 0.00316917 33
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9904 240 H 24.6541 29.9366 40.8996 -0.00332974 0.0140868 -0.00361328 33
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9906 242 H 27.3387 30.9593 41.936 0.00168241 -0.00434907 -0.00488882 33
9907 243 H 25.7633 31.7073 42.2219 -0.00976233 -0.00457846 -0.00542589 33
9908 244 H 24.89 29.732 43.3977 -0.00295074 -0.0167898 -0.0190172 33
9909 245 H 26.2984 28.7958 43.0212 0.0155241 0.00361937 -0.00706916 33
9910 246 H 26.8165 29.312 45.1226 -0.00568741 -0.00595354 -0.0104276 33
9911 247 H 27.5743 30.7307 44.4178 -0.00497035 -0.00159683 -0.00194413 33
9912 248 H 25.496 32.0674 44.9993 0.00239192 0.00434288 0.00877301 33
9913 249 H 24.6971 30.592 45.5938 0.00294395 0.000722322 -0.00579409 33
9914 250 H 27.251 31.6701 46.7769 -0.00269165 -0.00164222 0.00274476 33
9915 251 H 25.6223 32.0345 47.3858 -0.0132564 -0.00800101 -0.00194056 33
9916 252 H 26.2383 30.3793 47.4432 0.000886617 -0.00347523 -0.00435952 33
9917 253 H 34.1685 34.3089 33.8289 -0.00132421 -0.00173559 -0.00558766 33
9918 254 H 32.9038 35.4233 33.5481 0.00251629 0.00275403 0.0104912 33
9919 255 H 31.7655 35.0146 35.6956 0.00535745 0.00143368 -0.00674305 33
9920 256 H 32.896 33.7628 36.1039 0.019199 -0.00483227 -0.0040095 33
9921 257 H 34.8115 35.2905 36.1171 -0.00225379 0.00537573 -0.0147151 33
9922 258 H 33.9395 36.5454 35.4292 -0.00747373 0.00302127 -0.00294168 33
9923 259 H 34.2519 37.0501 37.7092 0.00455356 0.000212854 0.00162247 33
9924 260 H 32.5977 36.9213 37.3649 0.00629657 0.00667929 -0.00012861 33
9925 261 H 32.3317 34.8908 38.746 -0.00565845 0.00609175 -0.0215465 33
9926 262 H 34.0236 34.4389 38.4241 0.00981703 0.00247429 0.00383114 33
9927 263 H 34.8577 36.059 40.0545 0.00156333 0.0144141 -0.00404447 33
9928 264 H 33.2921 36.9015 40.0638 0.00301018 0.00612576 0.00915764 33
9929 265 H 32.3428 35.1763 41.5218 -0.00125097 0.0038865 -0.0101659 33
9930 266 H 33.6952 34.04 41.1612 0.000997608 0.0046211 -0.0150644 33
9931 267 H 35.2639 35.3441 42.5135 -0.00262067 0.000410682 0.00128352 33
9932 268 H 34.202 36.7422 42.4925 0.00996807 0.00479875 0.0102969 33
9933 269 H 32.555 35.5144 43.9519 -0.00289879 -0.00227074 -0.00148892 33
9934 270 H 33.7097 34.1747 44.0636 0.000309 -0.00159326 0.00773313 33
9935 271 H 35.4161 35.6102 45.1571 0.000878143 0.000191121 -0.00300887 33
9936 272 H 34.5213 37.062 44.7549 0.00930624 0.00191787 0.00546214 33
9937 273 H 34.2066 36.6442 47.1821 -0.000920453 -0.00338222 -0.00247506 33
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9939 275 H 33.5133 33.7358 46.5129 -0.0121508 0.00681406 -0.00528485 33
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10171 205 H 42.6694 39.7693 12.5261 0.00566224 0.0113825 0.0236012 34
10172 206 H 41.0642 39.9133 12.0252 0.00552717 -0.00884342 0.00110225 34
10173 207 H 41.4851 42.4986 11.6887 0.00394863 0.00885475 -0.0109054 34
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10184 218 H 42.9484 43.4061 5.69462 -0.00538143 0.00642474 0.0167653 34
10185 219 H 42.7101 41.3029 4.7291 0.00549925 0.00921027 0.00625251 34
10186 220 H 40.9184 41.4579 4.61245 0.00628683 -0.0204787 -0.006054 34
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10188 222 H 42.8973 43.3433 3.33472 -0.00541748 0.00360371 0.00689775 34
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10192 226 H 41.2702 40.2711 0.782601 -0.00336876 0.000869419 -0.00354694 34
10193 227 H 40.612 40.3952 2.50036 0.00736322 -0.00748704 9.75133e-05 34
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10196 230 H 32.0858 37.7027 34.7148 0.0026942 0.00152449 0.0057115 34
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10216 250 H 30.2139 38.7297 46.5342 0.0116092 0.00671277 0.00267665 34
10217 251 H 30.086 36.9914 46.3826 0.0071984 0.00556543 0.00876576 34
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10221 255 H 35.815 40.6319 35.1132 -0.00338822 0.0192552 0.00858068 34
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10224 258 H 36.4808 43.1626 34.7593 0.0051313 0.0103109 0.000447373 34
10225 259 H 36.4274 43.6496 37.0205 -0.00346171 0.00211949 -0.00760526 34
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10229 263 H 37.0426 43.5825 39.3615 -0.00438332 0.000372057 0.00803084 34
10230 264 H 36.2416 42.0207 39.641 0.0021241 -0.0024215 0.00117632 34
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10235 269 H 35.9695 42.6906 41.9569 0.00548987 -0.000526018 -0.00901086 34
10236 270 H 36.5814 41.0907 42.4608 0.00629569 0.000335286 -0.00372108 34
10237 271 H 37.1835 43.6237 44.094 0.00932747 -0.00302757 0.00424194 34
10238 272 H 35.6841 42.7479 44.3059 0.00509987 -0.00493382 0.00692133 34
10239 273 H 37.0863 40.6266 44.7971 0.0228483 -0.00405514 -0.00594954 34
10240 274 H 38.5571 41.6117 44.8333 0.00283464 -0.00204775 -0.00398775 34
10241 275 H 37.6156 41.3267 47.1811 0.017314 0.0125606 0.00351433 34
10242 276 H 37.6576 43.0083 46.6566 -0.00783453 0.00511874 0.00523289 34
10243 277 H 36.1317 42.1778 46.6615 0.00450179 -0.0100794 0.0115444 34
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10245 279 H 38.1277 34.3388 33.5282 0.00333161 -0.00407529 -0.00169319 34
10246 280 H 35.7072 33.8144 35.2352 0.00301521 -0.00972606 0.0119197 34
10247 281 H 37.0183 34.9821 35.6105 -0.00353909 0.00210355 0.000329873 34
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10250 284 H 38.6901 33.9337 37.4311 0.00336674 -0.00543677 0.00648389 34
10251 285 H 38.4517 32.2393 37.6809 -0.0113017 -0.00423291 0.00704405 34
10252 286 H 36.0461 32.583 37.981 0.00422538 -0.00886735 0.00300141 34
10253 287 H 36.2182 34.3657 37.7556 -0.00534206 -0.00509144 0.00682818 34
10254 288 H 36.5571 34.5136 40.1092 -0.000882751 -0.00306292 -0.00722143 34
10255 289 H 38.1197 33.8953 39.6221 0.00319387 -0.00707211 0.00462449 34
10256 290 H 37.2599 31.5197 39.8428 0.000452804 -0.00390329 0.00794254 34
10257 291 H 35.7691 32.1224 40.5493 -0.00287648 0.00316309 -0.000442759 34
10258 292 H 38.5411 32.5556 41.6707 -0.00194388 0.00185352 0.00333363 34
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10260 294 H 35.8948 33.0857 43.0495 -0.00138764 0.015243 -0.0115563 34
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10262 296 H 38.6593 32.8037 44.1918 -0.00100233 0.00121819 0.000562776 34
10263 297 H 37.2857 31.6996 44.4071 -0.00121227 0.00122468 -0.010088 34
10264 298 H 36.0008 33.5342 45.4374 0.00218866 -0.00817805 -0.013139 34
10265 299 H 37.4018 34.6314 45.3449 0.00282279 -0.00790429 -0.00109628 34
10266 300 H 37.0219 33.4557 47.6033 -0.00800745 -0.00591532 -0.000376047 34
10267 301 H 38.627 33.2104 46.8734 -0.00191387 0.00526042 0.00502043 34
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10269 1 C 40.9874 33.9836 30.9751 0.00359201 0.00446534 -0.00185903 35
10270 2 C 41.0445 33.8785 29.5968 -0.00138654 0.00252143 -0.000794844 35
10271 3 C 40.5221 32.7736 28.9702 0.000443132 -0.00195406 -0.000258746 35
10272 4 C 39.9059 31.7849 29.7751 -0.00868298 0.00304746 -0.00392488 35
10273 5 C 39.8019 31.8836 31.1899 -0.000997227 -0.00340177 -0.000546589 35
10274 6 C 40.3727 33.0298 31.8199 0.00231713 -0.000414591 -0.00404565 35
10275 7 C 35.2731 30.8715 30.6544 0.00394615 -0.00562633 -0.000809835 35
10276 8 C 35.4222 30.7583 29.287 -0.00075083 -0.00101768 0.00242934 35
10277 9 C 36.7263 30.6638 28.7231 0.00190628 0.000493886 0.000349374 35
10278 10 C 37.8438 30.5841 29.6002 -0.00208745 0.00481558 0.00264707 35
10279 11 C 37.6631 30.691 31.0086 -0.00161015 -0.00339643 -0.00347655 35
10280 12 C 36.3546 30.7713 31.5643 0.00188102 4.70019e-06 -0.00314896 35
10281 13 C 40.7669 27.1992 31.4749 0.00369294 0.000621713 -0.00697521 35
10282 14 C 40.8986 27.1363 30.0998 -0.00244134 0.000222877 0.0009043 35
10283 15 C 40.4393 28.1993 29.3277 -0.00147417 -0.00147142 0.00183152 35
10284 16 C 39.8463 29.3132 29.9604 0.000717263 0.000274978 0.00214691 35
10285 17 C 39.2947 30.4982 29.1801 0.000372075 0.0030141 0.00307201 35
10286 18 O 40.1639 28.2515 33.5294 0.000530518 -0.00437477 -0.00085353 35
10287 19 O 36.0989 30.7806 32.9242 0.00342278 0.0054988 -0.00449749 35
10288 20 O 40.4024 33.2206 33.1911 0.000898925 0.00116591 0.00518667 35
10289 21 C 40.2123 28.2823 32.1445 0.0028448 0.00807427 -0.00171486 35
10290 22 C 39.5685 30.3856 27.7145 0.00561273 0.000694146 0.000830596 35
10291 23 C 40.0133 30.3471 26.5722 -0.00369372 -0.000394046 -0.0012365 35
10292 24 C 40.8039 30.4494 25.3626 -0.00268917 0.000821151 0.00200033 35
10293 25 C 40.982 31.6309 24.6233 0.000290399 -0.000708081 -0.00362927 35
10294 26 C 41.9022 31.7274 23.5623 -0.00177735 -0.00162307 0.00245129 35
10295 27 C 42.6408 30.5968 23.1937 0.000496385 -0.00426868 -0.00267183 35
10296 28 C 42.413 29.3865 23.8684 0.00157256 -0.00273818 0.00369707 35
10297 29 C 41.5641 29.3394 24.956 0.00543581 0.000501026 -0.00084198 35
10298 30 C 43.4371 30.5948 21.9932 -0.000811521 -0.00455074 -0.0016334 35
10299 31 C 43.9884 30.5683 20.8939 0.00308926 0.00134418 -0.00321066 35
10300 32 C 42.7198 27.1108 18.6519 -0.00131217 -0.000896561 -0.000303206 35
10301 33 C 42.8792 27.1269 17.2953 -0.00180236 -0.00461781 0.00432904 35
10302 34 C 43.4378 28.2329 16.6157 0.00116016 -0.00263433 -0.00168879 35
10303 35 C 43.888 29.3326 17.3756 -0.000203575 -0.000740589 -0.00280814 35
10304 36 C 43.7243 29.3035 18.7794 0.00176753 -0.00396957 0.000333439 35
10305 37 C 43.1575 28.1848 19.423 -0.00182799 0.000578295 0.00198438 35
10306 38 C 44.3096 30.5526 19.489 0.000607125 0.00323624 -0.00175167 35
10307 39 C 48.1602 30.7116 19.2112 0.00173538 -0.0030342 -0.000566034 35
10308 40 C 48.2665 30.8018 17.8268 -0.00429497 0.00078671 -0.00409342 35
10309 41 C 47.1279 30.828 17.0078 -0.000855859 0.00146473 0.00101316 35
10310 42 C 45.8966 30.634 17.6082 0.00354617 -0.001765 -0.00376524 35
10311 43 C 45.782 30.6161 19.0397 -0.000190816 -0.00116808 8.74062e-05 35
10312 44 C 46.904 30.6546 19.8423 -0.00532209 -0.00379149 0.00339144 35
10313 45 C 42.3789 33.7452 18.5447 -0.00031267 0.000556962 0.00437615 35
10314 46 C 42.543 33.7527 17.1507 0.00144028 0.00192522 -0.00385179 35
10315 47 C 43.2203 32.747 16.5255 0.00252278 0.00230032 -0.00179658 35
10316 48 C 43.7686 31.7396 17.3404 0.000784193 -0.000129557 0.00291846 35
10317 49 C 44.5765 30.5825 16.825 -0.000717785 -0.00503784 0.000389027 35
10318 50 C 43.6289 31.7228 18.747 0.00123026 0.00107019 -9.37217e-05 35
10319 51 C 42.9568 32.7717 19.3419 0.00576589 0.00322539 -0.000635895 35
10320 52 O 47.298 31.212 15.6652 -0.000743392 0.00139381 -0.00318237 35
10321 53 O 43.5385 28.167 15.2573 0.00339041 0.00148655 -0.00176246 35
10322 54 O 43.4932 32.7742 15.1953 0.000596173 -0.00030395 0.00209786 35
10323 55 C 39.0207 30.697 31.7974 -0.000270249 0.00258259 -0.00212581 35
10324 56 C 39.7331 29.3844 31.3544 -0.00600779 -0.00400912 0.00313063 35
10325 57 C 47.1746 30.3594 14.5157 0.0019474 -0.000333712 -0.00426368 35
10326 58 C 46.8408 31.1993 13.2959 -0.000579776 -0.00400462 0.00139254 35
10327 59 C 46.6615 30.4042 11.9801 -0.000247886 0.00174236 0.000909851 35
10328 60 C 46.4844 31.1855 10.6465 0.00427956 -0.00397194 0.00313124 35
10329 61 C 46.3734 30.2725 9.3982 0.00164514 0.000912039 -0.00280976 35
10330 62 C 46.1967 31.0262 8.07411 0.00254665 0.00133782 0.00156045 35
10331 63 C 46.4298 30.11 6.82806 0.00207573 0.00335808 0.0029757 35
10332 64 C 46.202 30.8192 5.46337 -1.84439e-07 0.00245171 0.00159784 35
10333 65 C 46.1085 29.7847 4.31979 -0.00120246 0.00476267 0.000326471 35
10334 66 C 45.7551 30.3274 2.96118 -0.00260777 2.92291e-05 0.00266787 35
10335 67 C 46.8634 31.1497 2.26678 0.0022779 -0.00210605 0.00241533 35
10336 68 C 46.4759 31.4109 0.796664 0.000357149 0.00174583 0.000160238 35
10337 69 F 42.0403 32.8992 22.864 -0.000282416 0.0049354 0.000701065 35
10338 70 C 44.236 27.0465 14.5938 0.00102485 -0.000554456 -0.00574598 35
10339 71 C 44.9659 27.7637 13.4609 0.00145646 0.00123101 -0.000226211 35
10340 72 C 45.0082 27.0844 12.0692 -0.00535052 0.00199159 0.00342884 35
10341 73 C 45.353 25.5965 12.0569 0.00199017 0.000644237 -0.00494265 35
10342 74 C 46.1954 25.1572 10.8481 -0.000230501 0.000658529 -0.0044738 35
10343 75 C 46.0027 25.9638 9.51818 0.0011379 9.64898e-05 0.000243827 35
10344 76 C 46.4378 25.1915 8.23866 -4.95867e-05 0.000828362 -0.00180617 35
10345 77 C 46.1072 26.0548 7.01254 0.00253162 0.000520259 -0.00150241 35
10346 78 C 46.5089 25.2688 5.76178 -0.00204358 0.000949013 -0.00323314 35
10347 79 C 46.2857 26.1185 4.50285 -0.00259652 0.00158004 -0.00132085 35
10348 80 C 46.9393 25.5957 3.23164 -0.000425899 0.000622277 -0.00378616 35
10349 81 C 46.4858 26.357 1.95998 0.00408492 0.000411452 -3.77282e-05 35
10350 82 C 42.4213 32.4632 14.271 -0.00250069 -0.000774365 -0.00306514 35
10351 83 C 42.9007 31.1952 13.4711 0.000420121 -0.000940559 0.00101731 35
10352 84 C 42.5298 31.1168 11.9676 0.00164282 0.000434757 -0.000369577 35
10353 85 C 42.768 32.4214 11.1807 0.00479108 0.00183244 0.000441625 35
10354 86 C 42.5408 32.1576 9.62455 -0.00580735 0.000953907 -0.000823466 35
10355 87 C 42.8969 33.3751 8.75791 0.00339069 0.00234238 0.00371933 35
10356 88 C 41.9039 33.8896 7.66988 0.00188554 0.00189341 0.00249307 35
10357 89 C 41.3202 32.814 6.74228 -0.00340554 0.00172785 0.00292165 35
10358 90 C 42.3897 32.1008 5.87978 0.00326029 -0.00428266 0.00468123 35
10359 91 C 42.863 32.9392 4.70216 0.000311615 -0.00789461 -0.000781907 35
10360 92 C 41.9339 32.8109 3.4978 -0.00143422 -2.00582e-05 0.00064155 35
10361 93 C 42.639 33.2874 2.23424 -0.00225027 -0.00262111 -0.00260167 35
10362 94 C 34.7321 31.1337 33.4134 -0.0050897 0.000122214 -0.00251262 35
10363 95 C 34.5001 30.84 34.9113 -0.000718662 -0.000656468 -0.0026312 35
10364 96 C 33.0225 30.8529 35.4048 0.00212587 0.000435273 -0.000319464 35
10365 97 C 32.8549 30.5523 36.9374 0.000741909 -0.00271667 0.00125431 35
10366 98 C 33.7027 31.3844 37.8685 0.00112395 -0.00362949 0.00142694 35
10367 99 C 33.1932 31.3756 39.3595 0.00216247 -0.00435577 0.00173734 35
10368 100 C 33.6156 30.1399 40.1557 0.000540886 -0.0020555 0.00205231 35
10369 101 C 33.0872 30.0374 41.5996 0.000705661 0.000344604 0.00631423 35
10370 102 C 33.7791 30.9234 42.6079 -0.00157592 -3.91642e-05 -0.000645786 35
10371 103 C 33.3994 30.5433 44.0481 0.00114298 -0.000972504 0.000164484 35
10372 104 C 34.256 31.2284 45.1518 0.0033334 0.00281205 0.00224239 35
10373 105 C 33.7129 31.059 46.541 0.00304152 -0.00346167 -0.000847182 35
10374 106 C 40.9071 34.4798 33.6859 0.00253574 -0.000175217 0.0012263 35
10375 107 C 40.8784 34.6477 35.1894 -0.00131954 -0.000432902 -0.00105835 35
10376 108 C 41.5222 36.0017 35.5944 0.000179459 -0.000809429 -0.00759139 35
10377 109 C 41.3985 36.4023 37.0811 -0.00128309 -0.00173331 0.00616739 35
10378 110 C 42.1992 35.4408 37.9927 -0.00242496 0.000117102 -5.0664e-05 35
10379 111 C 42.0666 35.7683 39.4973 -0.00466802 0.00298712 0.00485402 35
10380 112 C 40.6975 35.4558 40.0934 0.000853149 -0.00126722 0.0010138 35
10381 113 C 40.6355 34.6843 41.4045 -0.00142026 -0.00384992 0.0012469 35
10382 114 C 41.2217 35.4393 42.6224 0.000773221 -0.00158355 -0.00268437 35
10383 115 C 40.7194 34.8424 43.9487 -0.000447605 0.000301847 -0.00580803 35
10384 116 C 41.2844 35.6583 45.1772 -0.00261177 -0.000625655 0.00273181 35
10385 117 C 40.629 35.2059 46.4825 -0.00185615 -0.000138254 0.00019582 35
10386 118 C 40.4803 27.0321 34.3139 -0.0015765 -0.00110887 -0.00114275 35
10387 119 C 40.0842 27.165 35.82 0.0039581 0.000187221 -0.00162477 35
10388 120 C 41.0799 26.421 36.7045 -0.00165516 -0.00272477 -0.00510538 35
10389 121 C 40.9205 26.689 38.2263 -0.000877835 -0.000730076 -0.00250922 35
10390 122 C 42.1364 26.0516 38.9346 0.00264862 -0.00497339 0.00120342 35
10391 123 C 42.1646 26.1695 40.439 0.00347934 -0.00480342 0.00122541 35
10392 124 C 41.0052 25.455 41.1672 -0.00116862 0.00079066 0.00126596 35
10393 125 C 41.2667 25.2781 42.6739 -0.000487637 -0.0037772 -0.00181831 35
10394 126 C 41.3225 26.6196 43.435 0.00411294 0.000682472 0.000618041 35
10395 127 C 41.2476 26.5577 44.9858 0.00168823 -0.00332122 -0.00049127 35
10396 128 C 42.2337 25.6078 45.6195 0.000678291 0.0014784 -0.00632183 35
10397 129 C 42.1578 25.6714 47.1601 -0.00145957 -0.000578574 -0.00212783 35
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10404 136 H 36.802 30.6556 27.6397 -0.00435658 0.00856841 -0.000167124 35
10405 137 H 41.1758 26.356 32.0238 0.0040126 0.0072492 0.00295168 35
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10407 139 H 40.5203 28.0598 28.2538 0.00110606 -0.0120273 0.00337244 35
10408 140 H 42.9964 28.514 23.5897 0.00285482 -0.0021993 0.00468574 35
10409 141 H 41.4096 28.419 25.5113 0.0113776 -0.0108989 -0.0181466 35
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10413 145 H 49.0403 30.7493 19.8463 -0.00570025 0.00243584 0.00944894 35
10414 146 H 49.2527 30.8775 17.3785 0.00293729 0.016306 0.0144513 35
10415 147 H 46.8085 30.5689 20.9207 0.0120804 0.00213279 0.00539083 35
10416 148 H 41.8281 34.5199 19.07 0.00950844 0.00979613 0.00102515 35
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10422 154 H 46.3653 29.6554 14.7455 -0.00603177 0.00822106 -0.00617052 35
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10424 156 H 45.9521 31.8226 13.4541 0.00310921 0.00119841 0.0016335 35
10425 157 H 45.7344 29.8423 12.1482 0.000215763 0.000935294 0.000764751 35
10426 158 H 47.4869 29.6839 11.9221 -0.0031201 -0.00173528 0.00315922 35
10427 159 H 47.3379 31.8697 10.5629 -0.00160202 0.00294562 -0.00028019 35
10428 160 H 45.611 31.8446 10.7253 0.0135216 0.00696806 0.0144524 35
10429 161 H 45.5261 29.5881 9.52849 0.0120919 -0.010586 0.00470683 35
10430 162 H 47.2824 29.6625 9.32562 0.0044696 0.0046112 0.00148166 35
10431 163 H 46.8706 31.8917 8.05497 0.00271325 0.000970638 -0.00887014 35
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10433 165 H 45.6891 29.3013 6.85532 0.00921356 -0.00288175 0.0108063 35
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10435 167 H 47.0278 31.5247 5.30891 0.00414016 -0.00760307 -0.0220114 35
10436 168 H 45.3 31.4428 5.49175 -0.0110476 -0.0131007 -0.00852911 35
10437 169 H 45.3349 29.0516 4.57951 0.00406504 0.00283529 0.0105774 35
10438 170 H 47.0486 29.2219 4.26589 -0.00904015 -0.00643701 -0.0194422 35
10439 171 H 44.8481 30.9444 2.96917 -0.00722907 -0.00666021 -0.00461259 35
10440 172 H 45.5497 29.4751 2.30177 0.0012708 0.00336453 -0.00286584 35
10441 173 H 47.8019 30.5827 2.3013 0.00329778 -0.00034613 0.00366353 35
10442 174 H 47.0791 32.0902 2.78864 -0.00415592 -0.00264819 0.00602696 35
10443 175 H 45.5284 31.9616 0.746658 -0.0099393 -0.0166123 -0.00586961 35
10444 176 H 46.4251 30.4512 0.267749 -0.0158651 -0.00603393 0.0158276 35
10445 177 H 47.2408 32.0374 0.321484 -0.00187558 0.0034764 -0.00115357 35
10446 178 H 44.9273 26.5404 15.2789 -0.00870064 0.0011294 0.00532962 35
10447 179 H 43.5161 26.3281 14.1824 -0.00262391 -0.00548671 0.0092763 35
10448 180 H 44.4372 28.7191 13.3559 0.00382909 0.00298364 0.00373054 35
10449 181 H 45.9861 28.0083 13.7817 0.00258439 0.0108663 -0.0111091 35
10450 182 H 44.0602 27.2459 11.5414 -0.00199565 -0.00294947 -0.00411202 35
10451 183 H 45.6972 27.6625 11.441 0.00393604 -0.0123855 0.000407823 35
10452 184 H 45.8509 25.316 12.9933 0.0184905 -0.00155806 -0.0144017 35
10453 185 H 44.443 24.9839 12.059 -0.00472012 0.0106734 0.00161175 35
10454 186 H 47.2468 25.3417 11.1011 -0.00621537 0.00287688 0.0187233 35
10455 187 H 46.0467 24.0835 10.6796 -0.0114428 0.000868698 0.00408721 35
10456 188 H 44.9393 26.2078 9.40408 -0.00256485 -0.0118729 0.00916315 35
10457 189 H 46.5187 26.9305 9.57037 -0.0121077 0.00825043 -0.0196991 35
10458 190 H 47.4927 24.8908 8.25367 0.00378781 0.0143043 -0.00224089 35
10459 191 H 45.8293 24.2826 8.15536 -0.000909119 0.00219554 -0.0104413 35
10460 192 H 45.0287 26.2554 7.00166 0.00105694 -0.00677311 0.00938268 35
10461 193 H 46.6334 27.0163 6.96702 -0.00481885 0.00465445 0.00103412 35
10462 194 H 47.5706 24.9986 5.81989 0.00086302 0.0134429 0.00177236 35
10463 195 H 45.9328 24.3403 5.66453 -0.00760027 0.00140494 0.0256135 35
10464 196 H 45.197 26.241 4.4453 -0.00202296 0.00316191 -0.00838357 35
10465 197 H 46.7541 27.0869 4.71784 0.00534406 0.000870756 -0.0154558 35
10466 198 H 48.0297 25.6482 3.34008 -0.00144205 0.0209769 -0.00343295 35
10467 199 H 46.6907 24.5345 3.10741 -0.00455616 0.00228696 -0.00974017 35
10468 200 H 46.9389 25.8874 1.0782 0.00578191 0.00216639 -9.73705e-05 35
10469 201 H 45.4006 26.2908 1.81317 0.00174672 0.00234977 0.0164611 35
10470 202 H 46.7728 27.4144 2.01475 -0.00797038 0.00352731 0.00301296 35
10471 203 H 41.5058 32.2205 14.8245 0.000646153 -0.00170436 0.00174098 35
10472 204 H 42.2531 33.2938 13.5744 0.00908968 -0.00463641 -0.0104988 35
10473 205 H 43.9932 31.0971 13.486 0.000843475 0.00601916 0.0140435 35
10474 206 H 42.5097 30.2917 13.9551 -0.00321691 0.000105176 3.57411e-05 35
10475 207 H 43.1221 30.2997 11.5377 -0.00454985 0.000862282 -0.00970142 35
10476 208 H 41.4794 30.819 11.8607 0.0068741 -0.016709 -0.00398776 35
10477 209 H 41.9973 33.1484 11.4651 0.000157191 -0.00321467 0.000800877 35
10478 210 H 43.739 32.8886 11.3861 0.00154718 0.00662665 0.00488863 35
10479 211 H 43.149 31.2995 9.31259 0.000792525 -0.00191149 0.0198325 35
10480 212 H 41.4761 31.9048 9.54757 -0.00447982 -0.00575741 0.00280741 35
10481 213 H 43.1669 34.2289 9.39159 0.000403906 0.00975823 -0.00496515 35
10482 214 H 43.8526 33.1634 8.26266 -0.00651243 -0.00238916 -0.0133151 35
10483 215 H 41.0787 34.5293 8.00612 -0.00255169 -0.00912973 0.0124768 35
10484 216 H 42.541 34.5571 7.0766 -0.0088552 0.00593093 -0.00446599 35
10485 217 H 40.8045 32.0749 7.36784 -0.0026987 -0.00376803 -0.00298658 35
10486 218 H 40.5305 33.1392 6.05376 0.0117781 0.00501612 -0.0129437 35
10487 219 H 43.2587 31.8549 6.50252 0.0118183 0.00485617 -0.00366006 35
10488 220 H 41.9897 31.1204 5.59301 -0.000429505 0.00125481 -0.00899127 35
10489 221 H 42.945 33.9947 4.98964 -0.0214485 0.000108473 -0.0239226 35
10490 222 H 43.862 32.5878 4.4162 0.0049895 0.000280428 0.00549123 35
10491 223 H 41.7101 31.7549 3.30236 -0.000474068 0.00241773 -0.0137271 35
10492 224 H 40.9716 33.3145 3.65228 -0.004163 -0.00383354 -0.00388161 35
10493 225 H 42.9461 34.3357 2.3346 -0.00914635 -0.000490298 -0.00368957 35
10494 226 H 43.5205 32.6453 2.1153 0.000931545 0.00180211 -0.00289506 35
10495 227 H 41.8886 33.255 1.43469 0.00995717 -0.00724486 -0.0137926 35
10496 228 H 34.5951 32.2182 33.3203 -0.00567138 0.000833491 0.00642933 35
10497 229 H 33.9321 30.602 32.8837 0.00719223 -0.00898253 -0.011897 35
10498 230 H 34.8215 29.815 35.1339 -0.00356286 -0.001343 -0.00167587 35
10499 231 H 35.0987 31.5805 35.456 -0.00251098 0.00313614 -0.00580209 35
10500 232 H 32.6027 31.8515 35.2318 0.00411453 0.00197803 0.00373269 35
10501 233 H 32.4131 30.1657 34.8049 0.0123456 0.00328033 -0.0139851 35
10502 234 H 31.8036 30.5932 37.248 0.0055227 0.00451163 0.0165368 35
10503 235 H 33.161 29.514 37.1157 0.00533462 -0.000666767 0.00529331 35
10504 236 H 34.7115 30.9597 37.7955 0.00306005 0.00115638 0.000336964 35
10505 237 H 33.7746 32.3823 37.4185 0.00301453 -0.00551184 -0.0024745 35
10506 238 H 33.5428 32.2825 39.8682 -0.00651159 0.00672728 -0.0120527 35
10507 239 H 32.0963 31.382 39.3465 0.00233627 0.0108147 -0.00431344 35
10508 240 H 33.3462 29.2203 39.6215 -0.00175394 -0.00510185 0.00844619 35
10509 241 H 34.7089 30.0561 40.1894 0.0012309 0.00289651 -0.00829272 35
10510 242 H 32.0051 30.2166 41.6158 0.000667144 0.00151446 -0.00843866 35
10511 243 H 33.2882 28.9993 41.8917 0.00144988 0.00465306 0.0210543 35
10512 244 H 34.8726 30.8607 42.5466 -0.00125413 -0.000348807 0.00524589 35
10513 245 H 33.547 31.9775 42.4116 -0.00826328 -0.00273692 -0.00718457 35
10514 246 H 32.3592 30.8569 44.1997 -0.0011869 -0.00569616 -0.00610992 35
10515 247 H 33.469 29.455 44.1675 0.00773054 -0.00155432 -0.0089414 35
10516 248 H 35.2705 30.8112 45.1629 0.000223171 -0.00481346 0.000579901 35
10517 249 H 34.2831 32.2922 44.8852 -0.000223492 -0.000318565 -0.0107039 35
10518 250 H 32.658 31.3389 46.652 0.00345962 -0.00784558 0.01443 35
10519 251 H 33.7959 29.9977 46.8059 0.00360465 -0.00585201 -0.0105951 35
10520 252 H 34.2707 31.6509 47.2773 0.00559572 -0.00243228 -0.00361521 35
10521 253 H 41.9575 34.5651 33.3811 -0.00274696 -0.00421618 -0.0180853 35
10522 254 H 40.2663 35.2494 33.238 0.0102659 0.00293201 -0.00446238 35
10523 255 H 39.8273 34.625 35.5027 -0.00124897 0.0104246 -5.72323e-05 35
10524 256 H 41.374 33.7924 35.6651 0.00750356 0.00391259 -0.00244911 35
10525 257 H 42.5759 35.9538 35.293 0.00378053 -0.00402803 0.00556384 35
10526 258 H 41.1329 36.8325 34.993 -0.016065 -0.00697576 -0.00555441 35
10527 259 H 41.7752 37.411 37.2909 -0.00105786 -0.00328814 0.0133225 35
10528 260 H 40.3622 36.3876 37.4404 -0.00117964 -0.0134764 0.00600128 35
10529 261 H 41.9261 34.4007 37.7763 -0.00564005 0.000776859 0.000857385 35
10530 262 H 43.243 35.4908 37.6589 -0.00270132 -0.00610529 -0.00187755 35
10531 263 H 42.8489 35.2023 40.018 -0.00501383 -0.00304779 -0.00118293 35
10532 264 H 42.3195 36.8224 39.666 -0.0165258 0.00634487 0.00153867 35
10533 265 H 40.2229 36.4359 40.2261 -0.00426733 -0.00278343 -0.00605781 35
10534 266 H 40.054 34.9634 39.3539 0.00613783 0.00243025 -0.00604486 35
10535 267 H 39.5851 34.4779 41.6442 0.00231529 -0.0181438 0.00531931 35
10536 268 H 41.1678 33.7317 41.2921 -0.0198644 -0.0152107 0.0103424 35
10537 269 H 42.3186 35.4493 42.6097 0.000707152 0.00205158 -0.00553162 35
10538 270 H 40.9035 36.4886 42.5896 0.00253379 -0.000813156 0.00485299 35
10539 271 H 39.6276 34.949 43.9547 0.000893069 0.0131649 0.0126314 35
10540 272 H 40.9853 33.7798 44.0076 -0.00146976 0.000668643 0.00539389 35
10541 273 H 42.3799 35.6151 45.2124 -0.00249698 -0.00365891 -0.00444701 35
10542 274 H 41.0202 36.7173 45.0679 -0.00473398 -0.000694473 0.00718795 35
10543 275 H 39.5398 35.3193 46.4185 -0.00356224 -0.00813352 0.0151989 35
10544 276 H 40.9066 34.1546 46.6281 -0.0159407 -0.00481196 -0.00677148 35
10545 277 H 40.9805 35.7697 47.3554 -0.00490975 -0.00792538 0.00646443 35
10546 278 H 39.8861 26.1889 33.9407 -0.00205998 -0.000529859 -0.00168117 35
10547 279 H 41.544 26.7666 34.2749 -4.09058e-05 0.00564773 -0.00518337 35
10548 280 H 39.1082 26.6746 35.9209 0.00489518 -0.00108038 0.00124028 35
10549 281 H 40.0152 28.1961 36.188 -0.00221289 0.00085504 -0.00466195 35
10550 282 H 42.0768 26.7687 36.4064 -0.00345931 0.00136394 -0.00636295 35
10551 283 H 41.1166 25.3473 36.4827 -0.0110718 -0.00305431 -0.00500611 35
10552 284 H 39.977 26.2423 38.5636 -0.00604774 0.00725051 -0.0063688 35
10553 285 H 40.8078 27.7624 38.4225 0.00773639 -0.00212679 0.00995898 35
10554 286 H 43.0402 26.5205 38.5263 -0.00285881 -0.00210726 -0.00771673 35
10555 287 H 42.2657 25.0013 38.6455 0.00545577 -0.000897781 -0.0123893 35
10556 288 H 42.1534 27.2444 40.6579 0.00961716 -0.00541648 0.00452022 35
10557 289 H 43.0975 25.7293 40.8124 0.00471792 -0.00615 -0.00346166 35
10558 290 H 40.7861 24.471 40.7345 -0.00812526 -3.9048e-05 0.0066326 35
10559 291 H 40.0748 25.9935 40.9491 -0.0049043 -0.00748216 -0.00333814 35
10560 292 H 42.1672 24.6848 42.8751 0.0125373 0.0199175 0.00975109 35
10561 293 H 40.4376 24.6955 43.0942 -0.00773539 0.0141829 0.00878515 35
10562 294 H 40.4774 27.2063 43.0541 -0.00231053 -0.00526295 0.00570012 35
10563 295 H 42.2529 27.1028 43.112 0.00506576 0.00756971 0.0137473 35
10564 296 H 40.2282 26.3417 45.3287 -0.00289371 0.00237174 -0.010522 35
10565 297 H 41.4262 27.5713 45.3654 -0.00470669 0.00023867 -0.00696236 35
10566 298 H 43.2451 25.8876 45.2998 -0.000859725 0.00643452 -0.00685069 35
10567 299 H 42.048 24.5854 45.2678 0.00348888 -0.0055468 0.0126126 35
10568 300 H 42.8492 24.9942 47.6766 -0.00127881 -0.00161899 -0.00373864 35
10569 301 H 41.1655 25.3159 47.4643 -4.59347e-05 -0.0011927 0.00176178 35
10570 302 H 42.323 26.6882 47.5373 -0.00252586 0.00122941 -0.00653869 35
10571 1 C 45.0163 40.6728 31.362 0.00135661 0.00152769 -0.00729028 36
10572 2 C 45.4427 40.5571 30.0182 0.00355579 -0.00220027 -0.00734298 36
10573 3 C 44.914 39.513 29.241 0.0025588 -0.000616552 0.00325147 36
10574 4 C 44.0467 38.5471 29.8183 -0.00104121 -0.00326081 0.000792885 36
10575 5 C 43.735 38.6211 31.1689 -0.00224949 -0.00241114 0.00329999 36
10576 6 C 44.1492 39.726 31.9289 0.000646947 -0.00543837 -0.00289455 36
10577 7 C 39.2969 37.4375 30.1837 -0.00393611 0.00142985 0.00249094 36
10578 8 C 39.6095 37.4424 28.8073 0.00194064 0.00184038 -0.000743186 36
10579 9 C 40.9255 37.487 28.3936 0.00337441 -0.00508113 0.00307107 36
10580 10 C 41.9357 37.415 29.3809 -0.00150412 -0.00171167 -0.00267992 36
10581 11 C 41.6523 37.3759 30.7801 0.00075515 0.00583034 9.70176e-05 36
10582 12 C 40.2745 37.4281 31.2098 0.00200969 0.00191739 0.000536791 36
10583 13 C 45.0284 34.0634 31.3165 0.00330125 -0.00195294 0.00359886 36
10584 14 C 45.1016 34.0433 29.9191 -0.000526946 -0.00306541 0.00369004 36
10585 15 C 44.5277 35.0509 29.1419 -0.00152807 0.00107623 0.00105185 36
10586 16 C 43.927 36.1331 29.8006 0.00435098 0.00281495 -0.00385258 36
10587 17 C 43.4178 37.3751 29.0795 -0.00499973 -0.00223721 7.10765e-05 36
10588 18 O 44.3596 35.1513 33.4043 -6.68459e-05 -0.00264999 1.41291e-05 36
10589 19 O 39.9365 37.4793 32.5356 -0.000773959 -0.000850963 0.00249981 36
10590 20 O 43.8186 39.8033 33.2496 -0.00105078 -0.00145472 -0.00382395 36
10591 21 C 44.4383 35.1513 32 -0.002988 0.00272503 -0.00269873 36
10592 22 C 43.8544 37.3825 27.6904 0.000275901 5.17044e-05 0.00480952 36
10593 23 C 44.3801 37.3802 26.6174 0.00350127 0.00403017 -0.00148836 36
10594 24 C 45.2725 37.3928 25.513 -0.00653081 -0.00342798 -0.000978177 36
10595 25 C 46.0289 38.5457 25.2245 -0.00207239 -3.33929e-05 0.00850471 36
10596 26 C 46.9228 38.5025 24.1347 -0.000511805 0.00376011 0.00174728 36
10597 27 C 47.0734 37.2826 23.4327 0.00549931 -0.00136432 -8.13458e-05 36
10598 28 C 46.3615 36.1241 23.7818 0.00173736 0.000954953 0.000911848 36
10599 29 C 45.4299 36.1862 24.8235 0.00110894 -0.00105231 0.00203467 36
10600 30 C 47.7882 37.2258 22.2029 -0.00013094 -0.00061807 0.00170414 36
10601 31 C 48.1958 37.2275 21.0556 -0.000411241 0.0037922 0.000562796 36
10602 32 C 46.2912 34.1121 18.6984 -0.00143748 0.00184986 -0.00247408 36
10603 33 C 46.4894 34.1317 17.3089 -0.00109862 -0.00309125 -0.00140515 36
10604 34 C 47.3586 35.0508 16.7278 -0.00255879 -0.00265677 -0.00216961 36
10605 35 C 47.8952 36.0827 17.4865 0.00212782 -0.00589249 0.00165328 36
10606 36 C 47.6912 36.0739 18.8974 0.00301593 -0.00244477 0.00371906 36
10607 37 C 46.8957 35.0744 19.5038 0.0053623 -0.000397382 -6.54215e-05 36
10608 38 C 48.4236 37.2511 19.6226 0.000197698 -0.00396324 -0.000604972 36
10609 39 C 52.2795 37.5613 19.17 -0.00264631 -0.00246649 -0.000523904 36
10610 40 C 52.349 37.6441 17.7637 1.89301e-05 -0.00119655 0.00214914 36
10611 41 C 51.1673 37.4883 17.023 -0.000247796 0.00083569 0.00586884 36
10612 42 C 49.9768 37.2992 17.6954 -0.000942184 -0.00119403 0.00242295 36
10613 43 C 49.8697 37.2984 19.1114 0.00251205 0.00065424 0.00422777 36
10614 44 C 51.0445 37.4348 19.8522 0.00232043 -0.000479229 0.00189467 36
10615 45 C 46.8057 40.7116 18.8082 -0.00282516 -0.00162908 0.00589949 36
10616 46 C 47.0015 40.734 17.4279 -0.00324833 -0.00233848 0.00209691 36
10617 47 C 47.6047 39.6308 16.7929 0.000338959 -1.14353e-05 -0.00348754 36
10618 48 C 47.9534 38.5033 17.5295 -0.000469877 -2.57652e-05 0.000910711 36
10619 49 C 48.6786 37.2656 16.937 0.000905506 -0.00243479 0.000605795 36
10620 50 C 47.8394 38.5088 18.9421 -0.000294296 -0.0013559 0.00610426 36
10621 51 C 47.2566 39.6315 19.5606 0.00591253 0.000143326 -0.00320412 36
10622 52 O 51.2088 37.4848 15.6435 0.00192249 -0.00115888 0.000975618 36
10623 53 O 47.5325 34.989 15.3577 0.00311288 -0.000807791 -0.00305115 36
10624 54 O 47.7764 39.6413 15.4345 -0.00439536 -0.000177061 0.000111032 36
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10630 60 C 50.4545 35.9801 11.4419 -0.00158172 -0.00284552 0.00230164 36
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10632 62 C 50.0486 36.0471 8.9535 0.000660051 0.000534256 -0.00357647 36
10633 63 C 49.823 36.9142 7.70625 -0.00264738 -0.00156982 -0.0040405 36
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10638 68 C 49.5915 37.9248 1.99331 -0.000863972 6.91688e-05 0.00071101 36
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10685 115 C 45.9202 42.1494 44.9513 -0.00240547 -0.00377745 -0.000441193 36
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10790 220 H 51.0602 42.0796 5.70245 -0.00218373 -0.00299275 0.00917724 36
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10813 243 H 36.3074 37.2076 41.5225 0.00760935 -0.00619866 0.00285923 36
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10815 245 H 39.1164 38.4289 41.3052 0.00549273 0.00186196 0.00140733 36
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10817 247 H 38.4441 39.3815 43.4558 0.00831391 0.00277214 -0.0072135 36
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10819 249 H 37.2443 36.5826 44.018 0.00223855 0.00309692 -0.00651253 36
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10821 251 H 37.2054 38.7071 46.2124 -0.0051927 -0.00211488 0.00261493 36
10822 252 H 36.957 37.0126 46.2994 0.0191171 -0.00929734 0.00183763 36
10823 253 H 43.6002 41.8837 33.1546 0.00819065 -0.000544764 -0.00354838 36
10824 254 H 42.7581 41.0989 34.4624 0.0005792 0.00485731 0.0013834 36
10825 255 H 45.3379 40.4182 35.1225 0.0121954 0.00724027 0.00240771 36
10826 256 H 45.5359 42.0345 34.3447 0.00927435 -0.00803278 0.000775662 36
10827 257 H 44.0054 42.95 35.9539 -0.00176715 -0.000842831 0.0105828 36
10828 258 H 43.4333 41.3466 36.4874 -0.00292833 0.000241428 0.00410053 36
10829 259 H 45.8988 40.9673 37.2702 -0.00587266 -0.00482142 0.00108004 36
10830 260 H 46.1388 42.6889 37.0963 -0.00432958 0.00372867 0.000548631 36
10831 261 H 43.9982 42.8373 38.7728 -0.00314004 -0.0033325 0.0033174 36
10832 262 H 44.0779 41.068 38.8025 -0.002364 -0.000167094 0.000170595 36
10833 263 H 46.2837 41.1279 39.8217 0.0019983 0.0015875 0.0114261 36
10834 264 H 46.4142 42.8707 39.7476 0.00153485 -6.99594e-05 0.0170936 36
10835 265 H 44.3496 43.0399 41.0912 -0.00651888 -0.00287705 -0.0148293 36
10836 266 H 44.2904 41.2707 41.2119 0.0044793 -0.00311736 -0.00308399 36
10837 267 H 46.6497 41.5824 42.3151 0.00113763 0.00196726 -0.0116252 36
10838 268 H 46.1634 43.3064 42.4742 0.000375206 0.000342546 0.00803475 36
10839 269 H 44.1329 42.6935 43.7763 0.00194566 0.00250269 -0.0160075 36
10840 270 H 44.5722 40.9777 43.6151 0.000840278 -0.00150631 -0.00559923 36
10841 271 H 46.814 41.5621 44.7075 -0.00497966 -0.0139136 0.0145742 36
10842 272 H 46.2676 43.1871 45.0274 0.00331117 -0.00648206 0.0103914 36
10843 273 H 45.244 40.5655 46.3012 -0.00286787 0.00201091 0.00564167 36
10844 274 H 46.1191 41.848 47.111 -0.00705915 0.00303198 0.00856107 36
10845 275 H 43.2787 42.0733 45.9713 -0.00807243 0.00117827 0.0054646 36
10846 276 H 43.6055 41.9821 47.6852 0.0075196 0.00288775 -0.00135483 36
10847 277 H 44.1612 43.4317 46.8148 -0.00442394 0.00079374 -0.00771437 36
10848 278 H 43.7238 33.2417 33.7681 0.013556 -0.00910344 -0.0126733 36
10849 279 H 45.4492 33.3859 33.9132 0.0018868 0.00554776 -0.0160002 36
10850 280 H 43.5341 33.9623 36.0917 -0.00484818 -0.000715563 -0.00576905 36
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11520 44 C 10.95 2.20988 67.4231 -0.00126879 0.00174736 0.00523069 39
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11995 217 H 14.7087 12.2853 55.4329 0.00340695 0.00460887 -0.00314693 40
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11997 219 H 13.4904 13.7145 53.713 -0.0134242 -0.00951906 4.22745e-06 40
11998 220 H 14.9398 12.9069 53.1393 -0.00438504 0.003233 -0.0166781 40
11999 221 H 13.6594 11.1361 52.081 -0.00176551 -0.0096367 0.0123306 40
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12310 230 H 14.08 4.30833 84.2107 0.00529667 -0.000942034 0.0166311 41
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12314 234 H 11.0435 5.5647 86.0622 -0.00369333 -0.00972927 0.00157889 41
12315 235 H 12.2104 4.25912 86.0361 -0.00286462 0.00214384 9.31363e-05 41
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12385 3 C 23.4068 13.7643 77.7401 -0.000932117 0.00350618 -0.00406795 42
12386 4 C 22.7627 12.8746 78.6677 -0.0043097 -0.000800779 0.000685315 42
12387 5 C 22.7633 13.114 80.0734 -0.00498866 -0.00186693 8.90151e-05 42
12388 6 C 23.4142 14.2461 80.5769 0.00304824 0.0036619 -0.00269278 42
12389 7 C 18.2076 11.6781 80.2632 -0.000392625 -0.00455686 0.00179879 42
12390 8 C 18.213 11.5749 78.8861 0.00473104 0.00212669 -0.000852655 42
12391 9 C 19.4355 11.5518 78.239 0.000782918 -0.00178588 -0.00104958 42
12392 10 C 20.6422 11.7289 78.9432 -0.00406139 -0.00146503 -0.00175621 42
12393 11 C 20.6676 11.9098 80.3411 -0.00494348 -8.60323e-05 0.0012591 42
12394 12 C 19.408 11.8888 81.0139 0.00113562 -0.000218977 0.00110061 42
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12396 14 C 23.994 8.46629 79.2363 -0.000182568 -0.000194913 -0.0029479 42
12397 15 C 23.3599 9.38919 78.4241 -0.000949908 -0.000524938 0.00331836 42
12398 16 C 22.7563 10.4916 79.0517 -0.00790153 0.00214258 -0.000729375 42
12399 17 C 22.0461 11.6042 78.2712 -0.00272888 0.00392187 -0.00514004 42
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12402 20 O 23.5339 14.5672 81.9066 0.000587874 -0.00232581 -0.00141067 42
12403 21 C 23.2989 9.69876 81.2707 0.00116195 0.000491894 -0.000126594 42
12404 22 C 21.9591 11.3503 76.7988 0.00251666 0.00425925 -0.000435983 42
12405 23 C 21.8047 10.9683 75.6414 -0.000457892 0.00391493 -0.00204758 42
12406 24 C 21.521 10.5462 74.2994 0.00140013 0.00211608 -0.00192528 42
12407 25 C 22.2605 11.0333 73.2604 -0.000604251 0.00033446 0.00479328 42
12408 26 C 21.9386 10.6873 71.9511 -0.00630545 -1.07122e-05 0.00138836 42
12409 27 C 20.831 9.81016 71.7227 -0.00323013 0.00182802 -0.00311125 42
12410 28 C 20.0231 9.40912 72.7747 -0.000882355 -0.00241346 0.000472648 42
12411 29 C 20.3769 9.72467 74.0975 -0.00100614 -0.00254816 -0.00016638 42
12412 30 C 20.4965 9.45098 70.3587 -0.00108268 -0.00122809 0.00202362 42
12413 31 C 20.2503 9.25129 69.1882 -0.00158989 0.0029498 0.00447829 42
12414 32 C 18.0403 5.71125 67.7296 0.000550174 -0.00453101 0.00394814 42
12415 33 C 18.0446 5.49398 66.3289 -0.000465603 -0.00244868 -0.00243566 42
12416 34 C 18.5856 6.47741 65.462 -0.00215175 -0.00328028 -0.000817397 42
12417 35 C 19.1128 7.64146 65.9725 -0.00425489 0.00445379 0.00201702 42
12418 36 C 19.1565 7.85055 67.3685 -0.00174815 4.5211e-05 0.000488333 42
12419 37 C 18.6231 6.88652 68.2447 -0.00198926 0.00151231 0.00263103 42
12420 38 C 20.0121 9.06892 67.7631 0.00112617 -0.00246875 6.84784e-05 42
12421 39 C 23.7529 9.03195 66.7359 -0.000303426 0.000404585 0.00416433 42
12422 40 C 23.6261 8.97219 65.3457 0.00288906 0.00330073 0.00374337 42
12423 41 C 22.3643 8.84755 64.7532 -0.00494613 0.00241134 -0.000983464 42
12424 42 C 21.2504 8.83278 65.5853 -0.0017172 0.000330701 0.000833758 42
12425 43 C 21.3646 8.94127 66.9747 -0.00123644 -0.00188958 -0.00109472 42
12426 44 C 22.6259 9.07276 67.5705 0.00432236 -0.000733349 0.00266409 42
12427 45 C 18.2099 12.3624 66.8871 -0.00144182 0.000285548 0.00534865 42
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12487 105 C 16.4622 12.2352 96.7303 0.000921833 0.00108095 0.00309647 42
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12490 108 C 24.6616 17.2221 84.5169 0.00669856 0.0017327 -0.00307665 42
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12495 113 C 25.6816 16.8914 90.5639 -0.00222199 -0.00168078 0.000610838 42
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12625 243 H 15.9915 11.3715 91.6947 0.012629 -0.00857586 0.0040411 42
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12634 252 H 16.031 11.2265 96.7199 0.000408271 0.0012764 0.00618039 42
12635 253 H 24.6489 16.3677 81.8757 0.00237963 -0.000400367 0.00329752 42
12636 254 H 22.86 16.4565 82.29 0.00103382 0.00191528 0.0112909 42
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12639 257 H 25.4596 17.652 83.899 0.00724828 0.00640666 0.000897628 42
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12650 268 H 25.776 17.9729 90.7212 -0.00278673 -0.00173106 0.00130147 42
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12989 3 C 31.3709 13.879 77.8152 0.000972538 -0.00229718 0.000172909 44
12990 4 C 30.6521 12.902 78.5805 -0.00390103 -0.00278373 0.00384569 44
12991 5 C 30.5588 12.9895 79.9937 0.000353595 0.00143613 -0.00578288 44
12992 6 C 31.2226 14.0763 80.6319 0.000341721 0.00474506 -0.00163875 44
12993 7 C 26.0126 11.8865 79.7074 -0.00404087 0.000552679 0.00181365 44
12994 8 C 26.1273 11.788 78.3088 -0.000492279 0.0014741 -0.000792152 44
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13000 14 C 32.0546 8.56323 78.7878 0.00275075 -0.00105254 0.00191854 44
13001 15 C 31.4366 9.55681 78.0483 0.00166027 0.00131976 0.000280643 44
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13003 17 C 29.9823 11.7003 77.9949 0.00476368 -0.000561946 0.00701987 44
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13008 22 C 30.0319 11.5034 76.5316 0.00559345 0.00497855 0.000850794 44
13009 23 C 29.8916 11.2927 75.342 0.00142143 -0.000661796 -0.00108779 44
13010 24 C 29.6355 10.8681 74.0279 0.00268045 5.56139e-05 0.00198408 44
13011 25 C 30.4379 9.84815 73.4458 0.00356106 -0.00286466 0.000757354 44
13012 26 C 30.0691 9.3816 72.158 0.00185611 -0.00104607 0.00554423 44
13013 27 C 28.8946 9.91474 71.5385 -0.000518499 -0.00284692 0.00152876 44
13014 28 C 28.0965 10.8645 72.1411 -0.00249834 0.00380934 0.0012481 44
13015 29 C 28.4504 11.3433 73.3954 -0.0023476 0.00189181 -8.07762e-05 44
13016 30 C 28.5176 9.48691 70.2232 0.00449186 0.000556754 0.0015835 44
13017 31 C 28.218 9.16913 69.0985 0.0019124 -0.000612924 0.000629398 44
13018 32 C 25.7904 5.78281 67.5517 -0.000695082 -0.00224874 -0.00329484 44
13019 33 C 25.6725 5.64363 66.1556 0.000549646 -0.00206161 0.00119044 44
13020 34 C 26.2905 6.6001 65.3223 -0.000602447 0.00193425 0.00235254 44
13021 35 C 26.9651 7.64226 65.8834 -0.00161174 0.000924081 -0.00275178 44
13022 36 C 27.0755 7.80512 67.2702 -0.000103826 0.0019251 0.00243091 44
13023 37 C 26.4393 6.89041 68.1332 -0.00183849 0.00202227 0.0033073 44
13024 38 C 27.9243 9.01938 67.6908 0.000150447 0.00354192 -0.00359659 44
13025 39 C 31.6577 8.99609 66.5665 -0.000369761 8.63097e-06 -7.45419e-05 44
13026 40 C 31.5099 8.85278 65.1899 -0.000839236 -0.00103618 -0.00218464 44
13027 41 C 30.2153 8.73028 64.6734 -0.00291802 0.00336856 -0.00244007 44
13028 42 C 29.0993 8.73846 65.518 -0.00245262 0.00631134 0.000564318 44
13029 43 C 29.259 8.89557 66.9021 -0.00459888 -0.00334566 0.00103934 44
13030 44 C 30.5469 8.94041 67.435 -0.000426134 -0.000775023 0.00219426 44
13031 45 C 26.0041 12.3579 66.9558 -0.00231481 -0.0035654 -0.000340121 44
13032 46 C 25.9871 12.2602 65.5606 -0.00460192 0.00221989 -0.00179392 44
13033 47 C 26.5335 11.133 64.9276 0.00282512 0.00308551 -0.00203731 44
13034 48 C 27.0786 10.0656 65.6719 0.000465997 0.00435182 -0.00103133 44
13035 49 C 27.6334 8.74264 65.0866 -0.00133324 -0.00114502 -0.00604955 44
13036 50 C 27.1808 10.188 67.0588 0.00108645 0.00370368 0.000407081 44
13037 51 C 26.6081 11.2926 67.7096 -0.000155818 0.00652942 0.000930323 44
13038 52 O 30.0048 8.63906 63.3226 -0.00343635 -0.000969614 0.00397813 44
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13041 55 C 29.8428 11.7899 80.632 -0.00342359 0.00223804 -0.00576805 44
13042 56 C 30.6116 10.5504 80.1313 0.000632926 -0.00372411 0.00246762 44
13043 57 C 29.6853 7.3712 62.772 0.000563857 -0.00164702 0.000262098 44
13044 58 C 29.8738 7.30575 61.2743 -2.75968e-05 -0.0014966 -0.00325847 44
13045 59 C 28.8564 8.12375 60.4279 0.00233955 -0.00391559 -0.000210198 44
13046 60 C 28.9522 7.72617 58.9573 0.00110431 -0.000964344 0.00155243 44
13047 61 C 28.3077 8.65742 57.867 -0.00101544 0.00314381 -0.0035948 44
13048 62 C 28.4353 7.91739 56.5209 0.00275308 -0.00213382 -0.00282534 44
13049 63 C 28.2277 8.74948 55.2546 0.00476173 0.00163949 -0.00319192 44
13050 64 C 28.209 7.81216 54.0101 -0.00140774 0.00202363 -0.00104621 44
13051 65 C 28.0477 8.45249 52.6454 0.00188864 0.00101109 0.00164957 44
13052 66 C 28.1385 7.37191 51.5449 -0.00048682 -4.20181e-05 -0.00327086 44
13053 67 C 27.8082 7.90975 50.1297 0.00133594 -0.00370533 0.0031914 44
13054 68 C 28.9419 8.66477 49.4348 0.00114184 -0.00271094 -0.00149328 44
13055 69 F 30.7393 8.4224 71.5516 0.00165933 -0.000789561 -0.00131852 44
13056 70 C 25.5106 7.05781 63.0685 -0.00649359 0.00126962 0.00130489 44
13057 71 C 25.5323 6.32984 61.702 0.00568877 0.00133967 -0.000745983 44
13058 72 C 24.9296 7.19535 60.5895 -0.000630225 0.00272822 -0.000339149 44
13059 73 C 24.5212 6.47974 59.2794 0.00532573 0.000461213 -0.00044139 44
13060 74 C 25.7215 5.95621 58.451 -0.00325589 -0.00232992 -0.00201948 44
13061 75 C 25.2349 5.22299 57.165 0.00386591 -0.000119492 0.00350853 44
13062 76 C 24.8486 6.13051 55.9495 0.000322747 0.00286299 0.000791161 44
13063 77 C 24.4055 5.25267 54.7311 -0.00165165 0.000594153 0.00313189 44
13064 78 C 24.5169 5.98452 53.3604 0.00077351 -0.000194608 -0.00133989 44
13065 79 C 24.3774 4.99723 52.1563 -0.000631795 -0.00123777 0.00432609 44
13066 80 C 24.5812 5.7563 50.8334 0.00452025 0.00202273 -0.00140178 44
13067 81 C 24.7221 4.87022 49.6236 0.00279028 -0.00310872 0.000169068 44
13068 82 C 28.0075 11.6178 63.1913 0.00104783 -0.0035756 0.00342114 44
13069 83 C 28.1569 11.5627 61.6382 0.0048425 0.00276237 0.00100631 44
13070 84 C 27.7848 12.96 61.0668 -0.00106556 -0.000194896 -0.00241387 44
13071 85 C 28.4369 13.2758 59.7334 -0.00080175 -3.70392e-05 0.000770952 44
13072 86 C 27.7357 12.6337 58.5571 0.000752888 0.00040249 -0.000862746 44
13073 87 C 28.4227 13.1326 57.3056 -0.000805734 -0.00137683 0.00100248 44
13074 88 C 27.7787 12.6687 55.9708 0.000637865 0.000587391 -0.00276824 44
13075 89 C 28.4855 13.3433 54.8183 0.000603781 -0.00147129 -0.00107005 44
13076 90 C 27.8437 13.1988 53.4347 -0.00385506 0.000691584 0.00595254 44
13077 91 C 27.9521 11.8096 52.8177 0.000488238 -0.000501694 0.000725654 44
13078 92 C 27.6033 11.731 51.2955 0.00195707 3.10901e-05 -0.00201041 44
13079 93 C 28.6424 12.4354 50.3487 -0.000860608 0.001194 -0.00319779 44
13080 94 C 25.7987 12.3368 82.5098 -0.00496274 0.000942324 0.000967958 44
13081 95 C 25.891 12.1748 84.0432 -0.00204652 -0.00163516 -0.00594824 44
13082 96 C 24.6317 12.4728 84.8325 0.00293454 -0.00159454 0.0012318 44
13083 97 C 24.576 11.7468 86.2054 -0.000431245 0.00111374 -0.00131248 44
13084 98 C 24.9885 12.6198 87.3968 0.00044412 0.00231387 0.000727194 44
13085 99 C 24.4159 12.063 88.6908 -0.0012152 0.00375773 -0.00161352 44
13086 100 C 24.7247 12.8766 89.9873 0.000103664 0.00197884 -0.00171521 44
13087 101 C 26.1541 12.7842 90.5309 -0.00350142 0.00223948 -0.00541612 44
13088 102 C 26.2935 13.0613 92.0459 0.00233733 -0.000715852 0.000235829 44
13089 103 C 25.6153 11.9819 92.9294 -5.90395e-05 0.00112306 0.00135362 44
13090 104 C 26.2231 11.8671 94.3544 -0.00138891 -0.00114787 0.0017526 44
13091 105 C 25.5478 12.7908 95.4136 0.000842449 0.00150032 0.00509395 44
13092 106 C 32.2999 14.7679 82.7303 0.0015073 0.00298968 0.00487597 44
13093 107 C 32.0837 16.2951 82.9313 0.00290179 0.000644559 -0.0027045 44
13094 108 C 32.6389 16.8597 84.2633 -0.00172362 0.00092183 0.00169678 44
13095 109 C 32.3179 16.0255 85.5279 -0.000127145 0.00304941 0.00267774 44
13096 110 C 32.6879 16.7095 86.8196 -0.000238793 -0.00422914 0.00169986 44
13097 111 C 34.1237 16.4213 87.338 -0.000285114 -0.000630426 -0.000272703 44
13098 112 C 34.4001 16.9633 88.7515 -0.00296709 -0.00564978 0.000546172 44
13099 113 C 33.496 16.4522 89.9222 0.00214188 0.000661758 -0.00366635 44
13100 114 C 34.0376 16.9017 91.2943 0.00172914 0.000129486 0.00236609 44
13101 115 C 33.2057 16.5467 92.5472 -0.00395617 -0.000591507 -0.00169175 44
13102 116 C 34.0254 16.8218 93.8338 -0.00359851 -0.00163536 0.00186705 44
13103 117 C 33.138 16.8289 95.1031 -0.00102399 -0.000995798 0.00022353 44
13104 118 C 31.7165 8.37373 82.9688 0.00168813 0.00111485 -0.000730894 44
13105 119 C 31.2323 8.33157 84.4322 -0.00346373 -0.00237909 0.000447963 44
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13210 224 H 26.5748 12.0733 51.1267 -0.00210972 -0.0109322 0.000441902 44
13211 225 H 29.6019 11.9174 50.4689 -0.00354624 -3.1378e-05 0.0130214 44
13212 226 H 28.6984 13.5242 50.4699 -0.00799256 0.000660191 0.00481645 44
13213 227 H 28.3541 12.3278 49.2957 -0.000903376 0.0165842 -0.00477985 44
13214 228 H 25.5501 13.3722 82.2461 0.00362762 0.00143695 -0.00513415 44
13215 229 H 24.916 11.7502 82.2268 -0.00500177 0.00398326 -0.00518309 44
13216 230 H 26.1018 11.1161 84.238 -0.0152019 -0.0039931 -0.00450633 44
13217 231 H 26.7778 12.7331 84.3677 0.0077548 -0.0175313 -0.00531884 44
13218 232 H 24.5049 13.5404 85.0505 -0.00340691 -0.00410559 0.00990072 44
13219 233 H 23.7886 12.131 84.2195 0.012475 0.007408 -0.0169186 44
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13222 236 H 26.0807 12.6778 87.4814 -0.000396528 0.00230223 0.0116723 44
13223 237 H 24.5709 13.6316 87.3247 -0.00691633 -0.000231048 0.00739657 44
13224 238 H 23.3228 12.0104 88.6145 -0.000727248 -0.0086705 0.000103203 44
13225 239 H 24.826 11.0584 88.8517 -0.0159089 -0.00250476 -0.00345171 44
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13227 241 H 24.0202 12.4574 90.7162 0.00461335 -0.0220194 -0.011148 44
13228 242 H 26.499 11.7552 90.3711 -0.00826805 0.000272279 -0.00302465 44
13229 243 H 26.8463 13.3961 89.9394 -0.00139091 0.00266207 -0.00250979 44
13230 244 H 27.3719 13.0927 92.2448 0.00487006 -0.00335735 -0.0130291 44
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13232 246 H 24.5298 12.1196 93.0073 0.00157358 0.0127452 0.00351128 44
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13235 249 H 27.3067 12.0377 94.3474 -0.000417568 -0.00806202 -0.0157852 44
13236 250 H 25.9973 12.6237 96.4003 -0.0115971 0.00674688 0.0116405 44
13237 251 H 25.6472 13.8526 95.1565 -0.00234611 -0.0011197 -0.00698099 44
13238 252 H 24.4857 12.5181 95.443 -0.00411748 0.0207582 0.00363663 44
13239 253 H 32.2813 14.2925 83.7188 -0.00654711 -0.00167738 0.00247033 44
13240 254 H 33.2916 14.5514 82.3144 -0.000800409 -0.0192416 0.0108865 44
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13243 257 H 33.6974 17.1296 84.1627 -0.000325913 -0.00512255 0.000319216 44
13244 258 H 32.1678 17.8374 84.4229 -0.00910395 -0.00448682 0.013106 44
13245 259 H 31.255 15.7558 85.5588 -0.000745002 0.00563508 0.00376808 44
13246 260 H 32.8129 15.0533 85.413 -0.00958622 -0.00129629 -0.00156844 44
13247 261 H 32.5183 17.7866 86.6994 0.0152079 -0.00186951 0.00118457 44
13248 262 H 31.9609 16.3578 87.5619 0.00643075 0.0052564 0.0127181 44
13249 263 H 34.2689 15.3345 87.3706 0.00503924 0.000578388 0.0161953 44
13250 264 H 34.8669 16.7158 86.5868 -0.000193708 9.63889e-05 0.000106227 44
13251 265 H 35.4352 16.7871 89.0694 -0.00194969 -0.0120199 -0.00638322 44
13252 266 H 34.3547 18.0573 88.6849 0.00894715 -0.00420934 0.0158188 44
13253 267 H 32.443 16.7466 89.8329 0.000433528 -0.000851952 0.0112753 44
13254 268 H 33.4868 15.356 89.8818 -0.00163584 0.000497591 0.00171084 44
13255 269 H 35.0109 16.4101 91.4146 -0.00112574 -0.00706936 -0.0039006 44
13256 270 H 34.1859 17.9835 91.4002 0.00559509 -0.000189088 0.000102448 44
13257 271 H 32.3029 17.1677 92.5995 -0.00628277 -0.0040242 -0.00107223 44
13258 272 H 32.8604 15.5062 92.5063 -0.0061743 4.93177e-05 0.000699618 44
13259 273 H 34.8101 16.0772 94.0157 -0.01204 -0.00970047 0.00523492 44
13260 274 H 34.5859 17.7618 93.7589 -0.0015969 -0.00367712 -0.00877955 44
13261 275 H 33.7496 16.9284 96.0083 0.00939209 0.00224846 -0.0071729 44
13262 276 H 32.4797 17.7041 95.0401 0.00805824 0.00602714 0.0024831 44
13263 277 H 32.614 15.8693 95.1927 -0.00503904 0.00130833 0.00131934 44
13264 278 H 31.5914 7.37345 82.5361 -0.00761428 -0.000166749 0.00492445 44
13265 279 H 32.7844 8.62436 82.9627 0.00446523 -0.0104334 0.0105858 44
13266 280 H 30.3839 7.63624 84.4475 -0.0104345 0.00603364 -0.00451967 44
13267 281 H 30.8149 9.29727 84.743 0.00564524 0.00277315 -0.00333704 44
13268 282 H 32.8759 8.61472 85.7072 -0.00787573 0.00672725 -0.00435748 44
13269 283 H 32.9174 7.03984 84.8732 -0.00209805 0.000407595 -0.00125691 44
13270 284 H 31.5241 5.93836 86.3071 -0.0133847 -0.00202468 0.00727751 44
13271 285 H 30.6195 7.41988 86.8128 0.00923261 0.0109241 0.0155827 44
13272 286 H 33.5449 6.95153 87.6554 0.00155509 -0.00214777 -0.00543003 44
13273 287 H 32.1814 6.19308 88.5268 0.00312732 -0.00355182 -0.0068735 44
13274 288 H 31.7413 9.03931 88.0519 0.00684128 0.00379229 0.00290976 44
13275 289 H 33.2549 8.72747 88.8289 0.00441369 0.00314573 -0.0236627 44
13276 290 H 30.5813 7.68942 89.893 -0.00193977 -0.0028499 -0.00421244 44
13277 291 H 31.4191 9.14347 90.4376 -0.00176596 -0.00150059 -0.00215888 44
13278 292 H 33.4445 7.527 90.931 0.00352143 -0.00486159 -0.00722118 44
13279 293 H 32.2366 6.28066 90.9089 -0.00925179 -0.000150004 0.00822514 44
13280 294 H 31.0172 7.57092 92.7891 0.000766416 -0.011954 -0.00140377 44
13281 295 H 32.1674 8.89855 92.615 0.00829643 -0.00299661 0.00662088 44
13282 296 H 34.0013 7.37115 93.3122 -0.000371852 -0.0111454 -0.00410109 44
13283 297 H 32.8855 6.05125 93.4152 0.00242357 -0.00337084 0.00686419 44
13284 298 H 31.7245 7.16404 95.3508 0.00340266 0.00416422 0.0115273 44
13285 299 H 32.7633 8.62313 95.1449 -0.00735436 0.000649942 0.00228221 44
13286 300 H 33.5177 5.78666 95.9943 0.0085123 -0.000245325 -0.00746549 44
13287 301 H 33.6686 7.29724 96.998 -0.01301 0.00237333 0.000347723 44
13288 302 H 34.7649 7.04848 95.7017 0.00209204 0.00800326 0.00650863 44
13289 1 C 35.8027 8.25229 79.6969 0.003607 0.000420556 -0.00209006 45
13290 2 C 35.8433 8.15364 78.3139 -0.000737538 0.0032547 -0.00452064 45
13291 3 C 35.3401 7.04567 77.664 -0.00341473 0.000304426 0.000395799 45
13292 4 C 34.6345 6.06211 78.4071 0.000785087 0.00250561 -0.00363506 45
13293 5 C 34.547 6.23157 79.7917 0.000855214 0.00016774 -0.00338953 45
13294 6 C 35.1656 7.2923 80.4718 -0.00430816 0.00365315 -0.00114352 45
13295 7 C 29.9438 5.36928 79.6106 0.0028591 -0.003913 -0.00188634 45
13296 8 C 30.0228 5.39616 78.2235 -0.000383369 0.00346061 0.00292201 45
13297 9 C 31.2592 5.26974 77.6244 0.0027627 0.000851815 0.00115178 45
13298 10 C 32.4318 5.07145 78.3774 0.00183533 -0.00394214 2.14927e-05 45
13299 11 C 32.3444 5.10806 79.7914 0.000400162 0.000713494 -0.00208334 45
13300 12 C 31.0831 5.21016 80.4219 -0.00266328 0.000711733 0.00133251 45
13301 13 C 35.6071 1.64546 79.9007 0.00076016 -0.000683167 -0.000612233 45
13302 14 C 35.5867 1.57549 78.5031 0.00261105 -0.00420888 0.00241987 45
13303 15 C 35.0532 2.6358 77.7711 0.00663017 0.00414044 0.00377183 45
13304 16 C 34.4534 3.71646 78.4477 0.00474626 -0.00535722 -0.000674237 45
13305 17 C 33.8368 4.92571 77.8024 -0.00350484 -0.000949005 0.00056589 45
13306 18 O 35.0988 2.67673 82.0226 0.00230388 -0.000903975 -0.00284293 45
13307 19 O 30.9879 5.11375 81.7986 -0.00619391 -0.000386401 -0.00173295 45
13308 20 O 35.0512 7.40787 81.8473 -0.00172748 -0.00142612 0.000432578 45
13309 21 C 35.0596 2.69963 80.6177 0.00259347 -0.000279138 -0.00194746 45
13310 22 C 33.8438 4.79671 76.3382 -0.000752227 -0.000969089 -0.00169967 45
13311 23 C 33.6696 4.58903 75.177 0.00220253 0.00111036 0.00040382 45
13312 24 C 33.2545 4.16775 73.887 -0.00691701 -0.0018359 0.000193225 45
13313 25 C 32.206 4.77805 73.2341 0.00143995 0.0016133 -0.000931237 45
13314 26 C 31.7154 4.27711 72.0472 0.00330617 -0.00196168 0.000715593 45
13315 27 C 32.2828 3.08487 71.4925 0.00196804 -0.000331308 0.00107847 45
13316 28 C 33.3826 2.49121 72.1092 -0.00107291 0.000387594 0.00186483 45
13317 29 C 33.8675 3.03798 73.3234 0.00196435 -0.000819918 -0.00652555 45
13318 30 C 31.9215 2.63991 70.1828 -0.00255059 0.00321387 0.000658132 45
13319 31 C 31.7306 2.33819 69.0072 -0.000602925 0.00268533 0.000523288 45
13320 32 C 29.7708 -1.11361 66.9443 -0.00146697 0.00366737 -0.0045815 45
13321 33 C 29.827 -1.17123 65.5358 -0.000273664 0.00680305 0.000637494 45
13322 34 C 30.5284 -0.158903 64.8433 0.0003856 0.000193598 -0.00158087 45
13323 35 C 31.0983 0.890195 65.5095 -0.00221007 0.000805765 -0.0022841 45
13324 36 C 31.0222 0.944277 66.9505 0.0013149 -0.00150509 -0.000978002 45
13325 37 C 30.3865 -0.0862348 67.6755 -0.000853322 -0.00371779 -0.00464238 45
13326 38 C 31.6911 2.21637 67.5641 0.00197773 0.000514511 -0.00321234 45
13327 39 C 35.536 2.26085 66.9864 -0.00526761 0.00160656 -0.000152396 45
13328 40 C 35.5598 2.26456 65.5786 0.000251566 0.00577967 -0.00139553 45
13329 41 C 34.3741 2.26461 64.8288 0.00146234 0.0013252 -0.0032951 45
13330 42 C 33.1482 2.17094 65.5357 0.000391404 -0.000154056 0.000432722 45
13331 43 C 33.1285 2.23105 66.9724 -0.000121486 -0.000156046 0.00282059 45
13332 44 C 34.313 2.27865 67.6685 0.0011516 0.00102479 -0.00425106 45
13333 45 C 29.6063 5.36765 66.7683 0.00172466 -0.00271206 0.0023172 45
13334 46 C 29.5961 5.26125 65.3766 0.000347513 -0.0010345 -0.00191271 45
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13336 48 C 31.0193 3.27954 65.4759 -0.000692437 3.32542e-05 0.000828336 45
13337 49 C 31.7953 2.08633 64.8683 0.000131657 -6.15919e-06 0.00192612 45
13338 50 C 30.9688 3.3639 66.8847 0.00188383 -0.000192318 -0.00182659 45
13339 51 C 30.296 4.41025 67.5286 -0.00380149 0.00310905 0.000563561 45
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13343 55 C 33.7544 5.04846 80.4468 -0.000840903 -0.00119497 -0.00359212 45
13344 56 C 34.4495 3.75939 79.8757 0.000267549 0.00056713 -0.000141626 45
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13346 58 C 35.2818 1.59409 61.3708 -0.0028498 -0.000906346 0.000944462 45
13347 59 C 34.0177 1.39266 60.4303 0.000851391 0.00614627 0.000239404 45
13348 60 C 34.171 1.98844 59.0104 0.000596559 -0.000640599 -0.000112073 45
13349 61 C 33.1079 1.4326 58.0295 -0.0010078 -0.000605332 0.0022813 45
13350 62 C 33.2931 2.08335 56.6024 -0.000671228 0.00230997 0.00402181 45
13351 63 C 32.4016 1.35477 55.5389 -0.00223933 -0.00551833 0.001465 45
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13354 66 C 31.4104 1.62339 51.7255 0.00436979 0.000855294 0.00111635 45
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13356 68 C 32.4052 1.49476 49.4429 -0.00120537 -0.00257016 0.00323761 45
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13359 71 C 31.8976 -1.61605 61.6584 0.00105451 0.000466035 0.0026313 45
13360 72 C 31.188 -1.42609 60.288 0.00226463 0.00538386 0.0028597 45
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13362 74 C 31.4068 -2.01529 57.7273 0.00247691 0.0066173 -0.00046102 45
13363 75 C 32.2471 -2.76646 56.6904 0.00166246 -0.000125795 -0.00116814 45
13364 76 C 31.7151 -2.55246 55.2521 -0.00229334 0.0044934 0.000566359 45
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13374 86 C 29.1477 4.14846 58.1531 -0.00132522 -0.000815458 1.74746e-05 45
13375 87 C 29.6878 3.05252 57.1639 -0.00173525 -0.000603438 2.65365e-05 45
13376 88 C 28.7989 2.9256 55.9411 -0.00195432 -0.00259635 -0.00402357 45
13377 89 C 28.5769 4.22792 55.1137 -0.000550529 -0.000217569 6.61144e-05 45
13378 90 C 27.7459 3.98746 53.8534 -0.00212892 -0.00393681 -1.57088e-05 45
13379 91 C 28.6039 3.42465 52.6686 0.000107638 0.00131537 0.00158396 45
13380 92 C 27.8874 3.48562 51.2963 -0.00151728 -0.00174446 4.29516e-05 45
13381 93 C 28.7566 3.10009 50.0839 0.00291619 -0.00531591 -0.000739321 45
13382 94 C 29.7087 5.41838 82.404 -2.86472e-05 0.0014161 -0.00167202 45
13383 95 C 29.705 5.08583 83.8841 -0.000482424 0.000859368 -0.0023739 45
13384 96 C 28.3882 5.50641 84.5583 0.00347213 -0.00161263 -0.0057086 45
13385 97 C 28.012 4.81232 85.8876 -0.00010006 0.00189249 -0.00180122 45
13386 98 C 28.6269 5.39395 87.1425 0.00292028 -0.00215812 -0.00315811 45
13387 99 C 28.0535 4.871 88.4513 -0.00103067 -0.00320022 -0.000673749 45
13388 100 C 28.8227 5.48275 89.6374 -0.00105618 -0.000217945 0.00254383 45
13389 101 C 28.4072 4.84538 90.9935 0.00384292 -0.00171739 -0.0020821 45
13390 102 C 29.0605 5.57241 92.2144 0.00177104 -0.00296671 0.00245628 45
13391 103 C 28.7009 4.85671 93.5626 -0.00138886 -0.0017789 0.00440479 45
13392 104 C 29.4619 5.39879 94.7614 -0.000129975 -0.000876791 -0.00258113 45
13393 105 C 28.8802 4.83698 96.0585 0.000751818 -0.00165807 0.00403255 45
13394 106 C 35.3943 8.64563 82.4579 -0.000179312 -0.00590641 0.00369043 45
13395 107 C 35.0812 8.84357 83.9627 0.001487 0.00193269 -0.00279931 45
13396 108 C 36.251 9.12423 84.9055 0.00269289 0.00141238 0.000743061 45
13397 109 C 35.7636 9.52475 86.3088 -0.000429756 -0.00302482 0.00443118 45
13398 110 C 36.8159 9.29098 87.3813 0.000856764 0.000874935 -0.00422131 45
13399 111 C 36.2489 9.73848 88.7238 0.00109681 -0.00286775 -0.0012298 45
13400 112 C 37.0357 9.52881 90.02 -0.000647991 0.00162065 0.00342717 45
13401 113 C 36.185 9.78754 91.2589 -0.000916306 0.00318042 -0.00288989 45
13402 114 C 36.935 9.48818 92.543 -0.00103913 0.00557127 0.00232508 45
13403 115 C 36.1009 9.85993 93.7959 -0.0011422 -0.0026093 0.00104582 45
13404 116 C 36.7856 9.55649 95.1354 0.00467318 0.00242456 0.00478095 45
13405 117 C 35.9179 10.0482 96.3059 -0.0011039 0.00134848 5.97681e-05 45
13406 118 C 35.681 1.5393 82.7044 0.000933344 0.00154727 -0.000847042 45
13407 119 C 35.9023 1.71277 84.1949 -0.00514021 -0.00165769 0.000509773 45
13408 120 C 36.5988 0.509747 84.8925 0.00239783 -0.000559658 0.00160863 45
13409 121 C 37.1032 0.879958 86.3329 0.000405698 0.00255164 0.00231527 45
13410 122 C 36.0949 0.578172 87.4831 0.000588548 -0.00251271 0.00133712 45
13411 123 C 36.7605 0.828779 88.8878 -0.0018013 -0.000545788 -0.00330392 45
13412 124 C 35.944 0.339812 90.0629 -3.87478e-05 6.09041e-06 0.000540931 45
13413 125 C 36.685 0.606383 91.3888 -0.00111786 0.00224911 0.000346328 45
13414 126 C 35.7921 0.158695 92.576 0.00541219 -0.00244269 -0.00169917 45
13415 127 C 36.534 0.398642 93.8893 0.00362301 0.00182493 -0.000895157 45
13416 128 C 35.9064 -0.154712 95.1962 0.00147975 -0.0023233 -0.00033773 45
13417 129 C 36.4269 0.614871 96.4108 0.00350811 -0.000804226 -0.00378031 45
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13437 149 H 28.9558 5.93114 64.8104 -0.0121987 -0.00816292 0.00381323 45
13438 150 H 31.882 2.1574 63.777 -0.00215309 -6.35277e-05 0.00174231 45
13439 151 H 30.2624 4.5128 68.6093 -0.0176364 -0.00144715 0.000568543 45
13440 152 H 33.7046 5.0327 81.5425 0.00089478 -0.00307638 -0.00353873 45
13441 153 H 36.063 0.970917 63.2607 -0.00124544 -0.00411781 0.00537591 45
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13446 158 H 33.7954 0.322166 60.3406 0.0171721 0.00283725 -0.000764764 45
13447 159 H 35.178 1.75227 58.645 -0.00250492 -0.0184703 0.00290595 45
13448 160 H 34.1263 3.08438 58.9923 -0.0196209 -0.00164899 -0.0110444 45
13449 161 H 32.0983 1.58383 58.431 -0.00241762 0.00892789 -0.00487962 45
13450 162 H 33.2138 0.345558 57.9269 -0.00742726 -0.00190975 0.00952519 45
13451 163 H 34.34 2.05229 56.2761 -0.000807159 -0.0100254 0.00476594 45
13452 164 H 33.0014 3.13915 56.6624 -0.00937032 7.34635e-05 0.00119062 45
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13457 169 H 30.5291 0.952708 53.615 0.000318571 0.00385583 -0.000810132 45
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13476 188 H 33.2974 -2.45218 56.6503 0.00113768 0.0032702 0.0127581 45
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13479 191 H 31.6855 -1.4785 55.0304 -0.00740816 0.00239675 -0.00892587 45
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13483 195 H 32.2503 -1.83729 52.5844 0.00195898 0.00301504 0.00517137 45
13484 196 H 34.1459 -3.21077 51.9796 0.0077261 -0.00324161 -0.000153981 45
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13493 205 H 30.7023 1.94824 62.105 -0.00614008 -0.00653829 0.008923 45
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13495 207 H 30.8217 4.01382 60.4729 -0.00549925 0.00717471 -0.0156294 45
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13497 209 H 28.2107 2.70722 59.4959 0.00260251 0.00191462 0.00214231 45
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13501 213 H 30.7217 3.2501 56.8549 -0.00544553 -0.00223211 -0.0134307 45
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13512 224 H 27.505 4.49925 51.1239 -0.00329424 -0.00346283 -0.00611403 45
13513 225 H 28.1772 3.243 49.1635 -0.010219 -0.00777033 0.00715252 45
13514 226 H 29.6425 3.7397 49.987 0.00148 -0.00335017 -0.000918013 45
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13520 232 H 28.469 6.59749 84.6385 0.00320338 -0.00250352 0.00643874 45
13521 233 H 27.5911 5.25894 83.8464 0.00652095 -0.00517527 -0.0078988 45
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13523 235 H 28.3679 3.77647 85.8263 -0.0185204 -0.00474553 0.00387082 45
13524 236 H 29.6877 5.11699 87.1058 -0.002191 -0.0222672 0.000298101 45
13525 237 H 28.5093 6.48409 87.1079 -0.00286324 -0.002497 0.00583423 45
13526 238 H 26.9777 5.07176 88.5282 -0.000982941 -0.014625 0.0299362 45
13527 239 H 28.1908 3.78265 88.4442 -0.00789424 -0.00396884 -0.0168341 45
13528 240 H 29.9067 5.39042 89.4969 -0.00117782 -0.002492 0.00308647 45
13529 241 H 28.5614 6.54693 89.6889 -0.0138099 -0.00326961 0.00120887 45
13530 242 H 27.3196 4.81528 91.1338 0.00412127 -0.0117651 -0.00199951 45
13531 243 H 28.7053 3.79058 90.9498 -0.00728749 -0.00415822 -0.0196786 45
13532 244 H 30.1477 5.55142 92.0696 0.00211297 -0.00708014 0.00563376 45
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13535 247 H 28.9352 3.79561 93.4124 -0.0100702 -0.00540753 0.0166702 45
13536 248 H 30.4849 5.00703 94.7041 0.00442177 0.0113141 -0.0041685 45
13537 249 H 29.4926 6.49522 94.744 0.00690494 -0.00112498 -0.0061978 45
13538 250 H 29.3915 5.2653 96.9295 0.0114321 -0.0169311 0.00528701 45
13539 251 H 27.8091 5.06737 96.1142 0.00161694 0.00287537 0.00192204 45
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13541 253 H 36.427 8.93766 82.2307 -0.00245021 0.00452874 0.00670796 45
13542 254 H 34.801 9.41025 81.9415 0.00330318 -0.00251951 0.00469433 45
13543 255 H 34.2459 9.54091 84.1018 -0.0110673 -0.0150807 0.0072849 45
13544 256 H 34.7091 7.87781 84.3263 -0.00281982 -0.000476193 -0.0136171 45
13545 257 H 36.8953 8.2376 84.9521 0.00354176 0.0022917 0.00566035 45
13546 258 H 36.8816 9.90948 84.4707 -0.00738285 -0.00153172 -0.0192173 45
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13549 261 H 37.1464 8.24566 87.4199 0.0101427 0.00424173 0.00759877 45
13550 262 H 37.661 9.96625 87.1991 -0.000779764 0.00386215 -0.000806455 45
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13553 265 H 37.4013 8.4948 90.0453 -0.00775041 -0.000738699 0.00943686 45
13554 266 H 37.921 10.1763 90.0401 0.00353091 -0.00334635 -0.0208934 45
13555 267 H 35.8977 10.8463 91.2569 -0.0184261 -0.00158545 -0.0126601 45
13556 268 H 35.2543 9.20856 91.2143 -0.00485691 0.00968008 -0.00521362 45
13557 269 H 37.237 8.43389 92.5167 -0.00274735 0.00502952 0.00461119 45
13558 270 H 37.8669 10.0667 92.5251 0.00217304 0.000476027 0.00483123 45
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13592 2 C 39.7065 14.9654 78.0306 -0.00271168 0.00549112 -0.000903799 46
13593 3 C 39.1682 13.8198 77.4625 -0.00112749 -0.000670525 0.00208237 46
13594 4 C 38.5851 12.8603 78.3214 0.00423808 0.00208428 0.000267928 46
13595 5 C 38.5451 13.016 79.7435 0.00221415 0.00159469 -0.000776975 46
13596 6 C 39.1539 14.1684 80.3107 0.00357569 0.000849939 0.0028218 46
13597 7 C 33.998 11.775 79.6642 -0.000202235 -0.000573422 -0.00290886 46
13598 8 C 34.0254 11.6329 78.2949 -0.000903595 0.00432347 0.00283138 46
13599 9 C 35.2703 11.5894 77.6771 -0.00270869 0.00154174 0.00257276 46
13600 10 C 36.4444 11.6404 78.4115 0.00124327 0.00159961 0.000171976 46
13601 11 C 36.4068 11.7399 79.8342 0.00105399 -0.000713904 -2.19271e-05 46
13602 12 C 35.1378 11.7879 80.4578 -0.000653406 0.00278262 0.000189154 46
13603 13 C 39.4941 8.35561 80.1136 -0.00205477 0.0029645 -0.000243869 46
13604 14 C 39.5982 8.25969 78.7001 -0.00328767 0.00226688 -0.00228326 46
13605 15 C 39.0957 9.29549 77.9079 -0.00511668 3.97399e-06 -0.00142126 46
13606 16 C 38.5794 10.4317 78.5395 0.00575892 -0.00261605 0.000586511 46
13607 17 C 37.8836 11.606 77.8313 -0.00155688 0.000542989 0.00182778 46
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13610 20 O 39.1931 14.3035 81.7085 0.00066852 0.00185658 -0.00289655 46
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13612 22 C 37.876 11.4524 76.3912 -0.000346337 0.00137528 0.00434568 46
13613 23 C 37.7032 11.2511 75.2136 -0.00491961 -0.000531103 0.00350951 46
13614 24 C 37.3694 10.9158 73.8621 -0.000951387 0.00114586 -3.98867e-05 46
13615 25 C 38.1507 9.97117 73.1653 0.00109367 0.00247564 -0.000867169 46
13616 26 C 37.6896 9.54319 71.9046 -0.000111808 0.00166158 0.00403631 46
13617 27 C 36.4783 9.99208 71.4123 -0.00116689 0.000972835 -0.00318751 46
13618 28 C 35.6922 10.9441 72.0708 -0.00206737 0.0028679 -0.000757075 46
13619 29 C 36.1518 11.4342 73.3256 0.000193774 0.00136042 0.00169079 46
13620 30 C 36.0293 9.54425 70.1564 0.00569334 -0.00221822 0.00205999 46
13621 31 C 35.7589 9.23492 69.0139 -0.000501509 0.000340966 -0.00188437 46
13622 32 C 33.746 5.74764 67.0128 -0.00251882 0.000344232 0.000180416 46
13623 33 C 33.7422 5.73878 65.6054 -0.00358792 9.55225e-05 0.00103747 46
13624 34 C 34.3572 6.76503 64.8941 -0.000499663 0.000606844 -0.00404084 46
13625 35 C 34.8487 7.87907 65.6075 -0.000644664 -0.000621164 -0.00109615 46
13626 36 C 34.866 7.90657 67.0474 0.00177655 0.00309473 -0.00124415 46
13627 37 C 34.3644 6.7789 67.7507 -0.0062902 0.00216201 0.000524117 46
13628 38 C 35.6515 9.10689 67.5619 0.00139974 0.00184416 0.00127301 46
13629 39 C 39.465 8.97823 66.6404 -0.00586889 -0.00166421 -0.00102185 46
13630 40 C 39.3716 8.99122 65.2511 -0.00177736 -0.000400706 0.00537487 46
13631 41 C 38.1037 9.05369 64.6544 -0.00311708 -0.00060942 -0.00111139 46
13632 42 C 36.9361 9.01975 65.4098 0.000309198 0.000524564 -0.000323803 46
13633 43 C 37.0346 9.03182 66.8223 -0.00148672 -0.0027292 0.000652947 46
13634 44 C 38.3047 9.01005 67.4309 -6.64418e-05 0.00278648 -0.00363576 46
13635 45 C 33.9126 12.5006 66.9447 -0.00422106 0.00241819 -0.00261717 46
13636 46 C 33.9933 12.5393 65.5163 0.00179696 -0.000815287 -0.00216601 46
13637 47 C 34.531 11.4365 64.7945 -0.000634823 -0.00532873 -0.00324763 46
13638 48 C 34.948 10.3119 65.5103 0.00037967 0.00101726 0.000899489 46
13639 49 C 35.5156 9.0497 64.8903 7.12218e-05 0.00165973 0.000730525 46
13640 50 C 35.0127 10.3457 66.9312 -0.00504213 -0.00153302 0.000199401 46
13641 51 C 34.4897 11.4447 67.6421 0.00297529 -0.00027755 -0.00341232 46
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13646 56 C 38.4936 10.5358 79.9453 -2.41858e-05 -0.00147715 -0.00363902 46
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13648 58 C 36.8722 8.85137 61.2789 0.000726082 0.0015039 0.000851851 46
13649 59 C 36.4479 7.83617 60.2195 -0.000138302 0.00202163 0.00224398 46
13650 60 C 35.5162 8.46843 59.1727 0.000584704 -0.00202063 0.00199007 46
13651 61 C 36.233 9.34076 58.1372 -0.00337821 0.00358418 -0.00135563 46
13652 62 C 37.0734 8.58462 57.1246 -0.00100643 -0.00339517 0.000551549 46
13653 63 C 37.0309 9.17502 55.6794 0.0024701 0.000638953 -0.00104568 46
13654 64 C 35.6116 9.09837 55.0192 -0.00474449 0.00576854 -0.000197601 46
13655 65 C 35.5636 8.2451 53.7609 0.00093373 0.00172798 -0.00217537 46
13656 66 C 35.9225 9.00562 52.4655 1.42379e-05 0.00352852 -0.00226858 46
13657 67 C 35.9726 8.04175 51.2682 0.000350297 -0.001747 -0.00132052 46
13658 68 C 36.2781 8.87612 49.9823 0.000249591 0.00126477 -0.00137467 46
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13660 70 C 33.3846 6.89129 62.6506 0.000672788 -0.0011906 0.00118813 46
13661 71 C 32.8458 5.51782 62.1405 -0.000478903 0.000545401 0.00214654 46
13662 72 C 33.3423 5.13912 60.7508 0.00174002 -0.000392129 0.00259034 46
13663 73 C 32.8484 6.13434 59.6542 -0.00431111 0.00156469 -0.00307928 46
13664 74 C 33.1423 5.72265 58.2089 -2.83385e-05 -0.00391658 0.00252005 46
13665 75 C 32.8642 6.93094 57.2824 0.00530724 -0.00116783 0.00102373 46
13666 76 C 32.0305 6.61633 56.0317 -1.90342e-05 0.000530461 -0.00060916 46
13667 77 C 32.7746 5.91959 54.8603 0.00264344 -0.00100772 2.88654e-05 46
13668 78 C 31.9871 6.15672 53.5445 -0.00187127 -0.00122183 -0.00244286 46
13669 79 C 32.6693 5.58684 52.2819 -0.0013448 -0.00220175 0.00131145 46
13670 80 C 31.8576 5.88098 50.9792 0.00016574 0.00235971 -0.00296719 46
13671 81 C 32.649 5.46099 49.7372 0.00162974 0.00325471 -0.00179677 46
13672 82 C 35.7623 11.9732 62.7074 -0.00476205 -0.00210863 0.00236314 46
13673 83 C 35.4973 11.9951 61.1803 -0.00197396 0.000722502 0.00179877 46
13674 84 C 36.5433 12.5728 60.1999 0.00446777 -0.00481974 9.74522e-05 46
13675 85 C 35.8972 12.9876 58.8503 0.0018868 -0.00248669 0.00147514 46
13676 86 C 36.8471 13.0109 57.6042 -0.00284061 0.00489316 -0.00465374 46
13677 87 C 35.9707 12.9336 56.3226 0.00139709 -0.00470619 -0.00416775 46
13678 88 C 36.8329 13.0866 55.0127 -0.00431447 0.00191439 0.00324603 46
13679 89 C 35.9767 12.9617 53.7655 0.000103032 -0.00290203 0.000427093 46
13680 90 C 36.832 12.972 52.4688 -0.000192514 0.00124149 -0.00404767 46
13681 91 C 35.8648 12.8704 51.2932 -0.000518398 0.00346383 -0.000680376 46
13682 92 C 36.5868 12.8302 49.9327 0.00203919 -0.00145532 0.000223688 46
13683 93 C 35.5478 12.7596 48.7919 -0.00101571 0.0014689 0.00348784 46
13684 94 C 33.7233 11.8362 82.5047 -0.00115304 -0.00505628 -0.00284502 46
13685 95 C 33.736 12.1439 83.9979 0.00231088 0.00138809 -0.000721215 46
13686 96 C 32.4176 11.717 84.6779 -0.00295444 -0.00148643 0.000627494 46
13687 97 C 32.5174 11.5058 86.1751 0.00193428 -0.00251408 0.000961703 46
13688 98 C 32.585 12.8337 86.966 -0.00227974 0.000884759 0.00212005 46
13689 99 C 32.4399 12.6694 88.5129 -0.0017415 -0.000818697 0.00095346 46
13690 100 C 33.5068 11.8086 89.2196 -0.00150851 0.000345594 0.00127558 46
13691 101 C 33.0558 11.4239 90.6725 0.00219158 0.00134868 -0.0033974 46
13692 102 C 33.4567 12.4411 91.7398 -0.00231532 -0.00626161 -0.00323834 46
13693 103 C 32.982 11.914 93.1353 -0.000283471 0.000768652 -0.00576396 46
13694 104 C 33.4615 12.7417 94.3592 0.00272257 0.0006202 0.000948547 46
13695 105 C 32.8909 12.2677 95.7059 -0.00139938 -0.00124241 -0.000150992 46
13696 106 C 39.4983 15.6027 82.2653 0.00172283 0.00092273 0.00432533 46
13697 107 C 39.7571 15.5936 83.7873 -0.00140292 -0.00458765 -0.00273801 46
13698 108 C 40.0233 17.0343 84.3114 0.00248335 0.00489505 -0.00786745 46
13699 109 C 40.706 17.1901 85.7124 0.00500764 -0.000614683 -0.000987597 46
13700 110 C 39.9386 16.6072 86.9561 0.00564644 0.000382896 -0.0012334 46
13701 111 C 40.7044 17.0027 88.2408 0.00205698 -0.00222181 -0.000886752 46
13702 112 C 40.0914 16.5512 89.5836 0.00127367 -0.00264116 -0.00620054 46
13703 113 C 40.8399 17.0439 90.8274 0.00340713 0.00103861 0.00259577 46
13704 114 C 40.2155 16.6205 92.184 0.00010754 -0.00484367 -0.00144927 46
13705 115 C 40.9518 17.306 93.368 0.00113672 -0.000797476 -0.00340134 46
13706 116 C 40.3895 16.8391 94.731 0.000669721 -0.00369363 -0.00201965 46
13707 117 C 40.9976 17.6078 95.8849 -0.00276517 -0.00175312 0.0044672 46
13708 118 C 38.8969 8.43199 83.0603 -0.00429167 -0.000603767 -0.00172432 46
13709 119 C 40.3202 7.87379 83.4039 0.00295868 -0.000811733 -0.00196368 46
13710 120 C 40.4588 7.07422 84.7386 -0.00155423 -0.00310647 0.000805141 46
13711 121 C 40.2387 7.91584 86.0198 -0.0019618 -0.00265243 -0.00438856 46
13712 122 C 40.2282 7.04289 87.2971 0.00162903 -0.00299776 0.00541016 46
13713 123 C 40.2024 7.93633 88.5705 -0.00103295 -0.000288954 -0.00744742 46
13714 124 C 40.0275 7.12048 89.8199 0.00259607 0.00172895 -0.0022657 46
13715 125 C 40.2391 7.96323 91.1038 0.00134086 -0.000398923 -0.00451319 46
13716 126 C 40.1112 7.15973 92.3799 -0.00153069 0.000125299 0.0015082 46
13717 127 C 40.2651 7.99967 93.6852 -0.000738469 -0.00517847 0.00295482 46
13718 128 C 40.0614 7.11 94.9043 -0.000483741 -0.000185597 0.00315421 46
13719 129 C 40.2857 7.83093 96.2821 0.00274513 -0.00239534 -0.0015342 46
13720 130 F 39.2479 9.33219 73.7172 -0.000908052 -0.0024485 -0.00579566 46
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13725 135 H 33.1332 11.5706 77.6789 -0.00260917 0.00251537 0.00549072 46
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13727 137 H 39.8695 7.53892 80.7231 -0.00620338 0.00625032 0.00672576 46
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13744 154 H 36.8368 7.53818 62.9332 0.00645423 -0.00496777 -0.00110166 46
13745 155 H 37.5342 9.58645 60.8049 -0.0102061 0.00980751 -0.00151732 46
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13790 200 H 33.0997 4.47321 49.8939 0.00621838 0.00410633 -0.00966542 46
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13795 205 H 35.1985 11.0078 60.807 0.011802 -0.00719634 0.0116994 46
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13809 219 H 37.4567 13.8737 52.4571 -0.00545606 0.00478465 -0.0116446 46
13810 220 H 37.4182 12.0448 52.4775 -0.00110311 0.000685815 -0.0014615 46
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13812 222 H 35.2484 13.7778 51.293 -0.0047185 0.000602718 0.00400208 46
13813 223 H 37.1827 13.7465 49.8405 -0.0215095 0.0141634 0.00260796 46
13814 224 H 37.1887 11.9138 49.8952 0.00159912 -0.00159439 -0.00343414 46
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13818 228 H 33.0048 12.5206 82.0369 0.00133743 -0.00879317 -0.0121198 46
13819 229 H 33.2386 10.8614 82.3696 0.0137147 -0.013286 0.00350128 46
13820 230 H 34.5676 11.571 84.4265 -0.00479922 -0.013295 -0.00648891 46
13821 231 H 33.8613 13.208 84.2334 0.00269136 0.00146945 -0.00129834 46
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13823 233 H 32.1083 10.784 84.1908 0.0186939 -0.00793389 -0.000751559 46
13824 234 H 31.6593 10.8943 86.4802 -0.000692127 -0.00284755 -0.00708853 46
13825 235 H 33.3931 10.901 86.4415 0.00787684 0.00371474 -0.0044521 46
13826 236 H 33.5229 13.3744 86.789 -0.00127579 0.000977695 0.00767352 46
13827 237 H 31.7846 13.486 86.5953 0.0057847 0.00341754 -0.0108517 46
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13830 240 H 33.65 10.8753 88.6611 0.0107363 0.013115 -0.0169172 46
13831 241 H 34.4974 12.2799 89.2286 -0.00496248 0.00765824 -0.00289188 46
13832 242 H 31.9663 11.3307 90.7599 0.00201545 0.0153805 0.0097692 46
13833 243 H 33.4955 10.442 90.8869 -0.00231736 -0.000573053 -0.00296858 46
13834 244 H 34.545 12.5766 91.7132 -0.00387478 0.0070449 0.000616936 46
13835 245 H 33.0192 13.4413 91.6315 0.00084522 -0.00418059 0.00299412 46
13836 246 H 31.8859 11.8891 93.1716 -8.22586e-05 -0.00598959 -0.00413828 46
13837 247 H 33.2642 10.8572 93.2189 -0.00720302 -0.00160691 -0.0121922 46
13838 248 H 34.5579 12.7207 94.3875 0.00286675 0.0029486 -0.00273701 46
13839 249 H 33.2205 13.8001 94.2009 -0.00530991 0.000171502 0.010261 46
13840 250 H 31.7985 12.3535 95.6546 -0.00109941 0.00294845 0.00044422 46
13841 251 H 33.1248 11.2218 95.9401 0.00498895 -0.00133244 -0.00696801 46
13842 252 H 33.2156 12.935 96.5138 -0.0200785 -0.0144528 0.018261 46
13843 253 H 40.3988 16.035 81.812 -0.000215187 0.0146201 0.0135099 46
13844 254 H 38.6534 16.2712 82.0585 -0.00377808 -0.0100049 -0.00852563 46
13845 255 H 38.891 15.1579 84.3006 -0.00169767 -0.000382513 0.000327504 46
13846 256 H 40.6021 14.9346 84.0219 0.00446137 -0.000708491 -0.0129896 46
13847 257 H 40.724 17.4599 83.5825 -0.00642099 0.00909482 -0.0139692 46
13848 258 H 39.1174 17.6507 84.2584 0.000766368 0.00394506 0.010711 46
13849 259 H 41.7178 16.7683 85.6721 0.00980159 0.0116263 -0.00892427 46
13850 260 H 40.8623 18.2623 85.8836 -0.00251458 0.000959045 -0.00397212 46
13851 261 H 38.8903 16.9286 86.9213 0.0068145 0.00535038 0.0105031 46
13852 262 H 39.9033 15.5126 86.8936 0.00461636 0.000476069 -0.00229143 46
13853 263 H 41.7241 16.5995 88.2101 0.00159505 -0.00244061 -0.012971 46
13854 264 H 40.8388 18.0911 88.2161 0.00365769 -0.00228029 0.00554096 46
13855 265 H 39.0745 16.9514 89.6783 -0.00197315 -0.00835521 -0.0170583 46
13856 266 H 39.9714 15.4608 89.5908 -0.000783273 -0.00232 0.00722788 46
13857 267 H 41.8265 16.5774 90.7166 0.000823964 -0.00268493 -0.00494211 46
13858 268 H 40.935 18.1348 90.7613 0.00224419 0.00174688 0.0127534 46
13859 269 H 39.1476 16.871 92.1714 0.00258586 0.00627289 0.00998938 46
13860 270 H 40.3446 15.5431 92.3454 -0.00813188 -0.0064048 -0.00540148 46
13861 271 H 42.0159 17.0398 93.3477 0.00269448 0.00555237 -0.00477121 46
13862 272 H 40.8782 18.392 93.232 -0.0089761 0.00144176 0.0202076 46
13863 273 H 39.2994 16.9463 94.7917 0.000467619 -0.00338045 -0.00629406 46
13864 274 H 40.5848 15.776 94.9184 0.00401388 6.46799e-05 0.0159622 46
13865 275 H 40.6875 17.144 96.8295 0.00382715 0.00447921 0.00968495 46
13866 276 H 42.0898 17.5665 95.7918 -0.00158956 -0.0124885 0.0232515 46
13867 277 H 40.7181 18.6667 95.8211 0.00169465 -0.000853084 -0.000305794 46
13868 278 H 38.5433 8.89316 83.9907 0.004338 0.00166713 0.000423522 46
13869 279 H 38.2138 7.61559 82.7954 -0.00269317 -0.00542582 0.00893784 46
13870 280 H 41.014 8.7219 83.3514 -0.00486199 0.00574572 0.000645717 46
13871 281 H 40.5702 7.1582 82.6109 0.00397529 0.000118979 -0.00248136 46
13872 282 H 41.4748 6.66305 84.7836 -0.00202003 -0.00238499 0.0179779 46
13873 283 H 39.7913 6.20395 84.7594 -0.00342696 -0.00175179 -0.00259407 46
13874 284 H 39.2338 8.34517 85.9239 0.00266136 0.00854083 -0.00246651 46
13875 285 H 40.9934 8.70783 86.1008 -0.0172194 0.0126431 -0.0118538 46
13876 286 H 41.1141 6.39612 87.2782 -0.00272684 -0.0096688 0.0302526 46
13877 287 H 39.4081 6.3144 87.3092 0.00643788 -0.00855457 -0.00239784 46
13878 288 H 39.4056 8.68803 88.5121 0.00371462 0.00546899 0.00154147 46
13879 289 H 41.0914 8.57178 88.6669 -0.0150499 0.0181039 0.00125733 46
13880 290 H 40.6707 6.23192 89.8332 -0.00654078 -0.00475705 0.00838848 46
13881 291 H 38.9788 6.80251 89.871 0.006877 -0.0133779 -0.00923338 46
13882 292 H 39.4914 8.76147 91.1889 0.00295392 0.000298138 0.00322309 46
13883 293 H 41.2583 8.3637 91.0392 -1.91662e-05 0.00304348 -0.00452362 46
13884 294 H 40.8504 6.34938 92.3592 -0.00641126 -0.00425894 -0.00128309 46
13885 295 H 39.1236 6.68228 92.3744 -0.00619634 0.00997954 -0.0170799 46
13886 296 H 39.542 8.82276 93.7398 0.00964312 0.00474099 -0.00886473 46
13887 297 H 41.2242 8.53008 93.7325 -0.00606507 0.00385843 0.0102776 46
13888 298 H 40.702 6.22507 94.8046 0.00307686 0.00232932 0.00374856 46
13889 299 H 39.0317 6.73157 94.9001 0.00124415 -0.00499783 0.0115805 46
13890 300 H 39.7069 8.75995 96.3549 0.00521458 -0.000436236 -0.00687965 46
13891 301 H 41.3535 8.03438 96.4294 0.00485068 -0.00247926 -0.0166168 46
13892 302 H 39.9734 7.15319 97.0862 -0.0186203 0.00015785 -0.00767826 46
13893 1 C 43.6059 8.19764 79.7886 0.00450148 0.00228532 -0.00190092 47
13894 2 C 43.6209 8.10873 78.406 -0.000782717 0.00168995 -0.00333468 47
13895 3 C 42.9889 7.02875 77.7638 -0.00337645 0.00272461 -0.00191019 47
13896 4 C 42.3879 6.03557 78.5599 -0.000883932 0.000463344 -0.00614402 47
13897 5 C 42.3814 6.08257 79.9537 0.00725707 -0.00343976 0.00236977 47
13898 6 C 42.9618 7.20975 80.6065 -0.00633158 0.000983654 -0.00256333 47
13899 7 C 37.8121 4.95079 79.8038 0.00197408 -0.00132791 -0.00211907 47
13900 8 C 37.8783 4.78803 78.4586 -3.87501e-06 0.00116859 -0.00316185 47
13901 9 C 39.0849 4.69602 77.794 0.0054815 -0.000572287 -0.00161411 47
13902 10 C 40.277 4.79665 78.5789 0.00226492 0.0016571 -0.00637485 47
13903 11 C 40.2425 4.88286 79.992 0.00419022 -0.000262828 -0.0016959 47
13904 12 C 38.9658 4.95111 80.6367 0.00408493 -0.000196048 -0.00202742 47
13905 13 C 43.5697 1.48943 79.8901 0.00321825 -0.00163929 0.00241324 47
13906 14 C 43.5533 1.49788 78.517 -0.00258367 0.00380537 -0.00335866 47
13907 15 C 42.9842 2.58813 77.8305 -0.000712626 0.000320137 0.00307189 47
13908 16 C 42.3998 3.62999 78.5753 0.000345194 0.000148962 -0.0023774 47
13909 17 C 41.68 4.82495 77.9723 -0.00476604 -0.00350705 0.00110674 47
13910 18 O 43.073 2.41344 82.0402 0.00109674 0.000101772 0.00108037 47
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13912 20 O 42.9233 7.38802 82.0082 -0.000985754 0.000102259 0.00183639 47
13913 21 C 43.003 2.52836 80.6472 -0.000572497 0.00192467 -0.000307803 47
13914 22 C 41.6872 4.73674 76.509 0.00305053 -0.00462433 -0.000546504 47
13915 23 C 41.543 4.50657 75.3195 -0.00345438 0.0068389 -0.002753 47
13916 24 C 41.187 4.10822 74.0304 -0.00298358 0.000534963 -0.00193638 47
13917 25 C 41.3624 2.76977 73.6801 -0.000811439 -0.0020661 0.00179155 47
13918 26 C 40.8811 2.29434 72.4693 -0.00169045 -0.000553351 0.00134708 47
13919 27 C 40.2282 3.18077 71.5726 0.000655335 -0.0021294 0.00402141 47
13920 28 C 40.0527 4.51782 71.9158 0.000658749 -0.00121324 0.00140622 47
13921 29 C 40.5487 5.01367 73.1425 0.00067735 0.00323842 -0.00204248 47
13922 30 C 39.8789 2.77491 70.2566 -0.00371114 -0.00308967 -0.000468342 47
13923 31 C 39.6956 2.55085 69.0615 -0.00464769 0.00110177 0.00197339 47
13924 32 C 37.7306 -1.03653 67.3101 0.00360207 -0.00181124 0.004613 47
13925 33 C 37.742 -1.12833 65.908 0.00136235 0.00289814 0.00353003 47
13926 34 C 38.2804 -0.117366 65.0838 0.00192945 -0.0040584 -0.000923627 47
13927 35 C 38.8178 1.01538 65.7226 -0.00411001 -0.00129725 0.00198536 47
13928 36 C 38.8459 1.12569 67.1247 -0.00192579 0.00349598 0.000729952 47
13929 37 C 38.2796 0.116679 67.903 0.00117737 0.000319248 -0.00507175 47
13930 38 C 39.5363 2.40062 67.611 -0.00250622 0.00076795 -0.00353587 47
13931 39 C 43.2791 2.23759 66.671 -0.00337469 0.000698077 0.000386629 47
13932 40 C 43.1707 2.31156 65.2586 -0.00405972 -0.0037392 0.000939878 47
13933 41 C 41.8968 2.41466 64.6536 0.00164935 -0.00374923 -0.00371669 47
13934 42 C 40.7768 2.36883 65.4441 0.000801614 -0.00495888 -0.000602824 47
13935 43 C 40.8795 2.38695 66.8486 0.00089538 0.000705298 0.000230676 47
13936 44 C 42.1342 2.31425 67.481 0.00590269 -0.000813861 -0.00070539 47
13937 45 C 37.452 5.59572 66.9148 0.00406027 0.00171152 0.00374403 47
13938 46 C 37.4235 5.52635 65.4987 0.00270617 0.00339071 0.000296722 47
13939 47 C 38.0487 4.48513 64.8175 0.00178501 0.00238566 0.00253229 47
13940 48 C 38.6916 3.48736 65.5586 -0.00555449 -0.000397198 0.00406457 47
13941 49 C 39.3248 2.27012 64.9556 0.00374275 -0.00107383 -0.00119703 47
13942 50 C 38.7363 3.56207 66.959 0.00299763 0.00236677 -0.000241319 47
13943 51 C 38.1126 4.60921 67.6261 0.00395492 0.00344378 -0.000994299 47
13944 52 O 41.8268 2.62413 63.2975 -0.00212298 -0.00195787 -0.000912461 47
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13946 54 O 38.2771 4.56024 63.4588 0.00306718 -0.00234277 -0.00150438 47
13947 55 C 41.7033 4.8626 80.6269 -0.000600839 0.00408637 0.00230523 47
13948 56 C 42.3821 3.61573 79.9794 0.000259476 0.00324871 -0.00131239 47
13949 57 C 41.3373 1.5933 62.41 3.33394e-06 0.00315779 0.00617399 47
13950 58 C 40.914 2.27797 61.1306 1.27469e-05 -0.00426673 0.00076927 47
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13953 61 C 39.4816 1.11609 57.7941 -0.00261903 0.00194103 -0.000712219 47
13954 62 C 39.7467 1.16466 56.2577 0.000267976 -0.00126674 -0.000450442 47
13955 63 C 39.8203 2.52472 55.5483 0.000858304 0.00349383 -0.00315413 47
13956 64 C 39.4894 2.41339 54.0378 0.00381121 -0.00179145 -0.00408082 47
13957 65 C 40.3378 1.31367 53.2616 0.00258533 0.00611723 0.00147937 47
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13959 67 C 39.5655 2.50423 51.0729 -0.00103034 -0.0012526 -0.003205 47
13960 68 C 39.6072 2.33558 49.5623 -0.00461362 -0.00302839 -0.00103729 47
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13962 70 C 38.928 -1.52495 63.2759 0.000885205 -0.000572761 -0.000812088 47
13963 71 C 39.4569 -1.46159 61.8439 -9.88952e-05 0.00210327 -0.000760989 47
13964 72 C 39.8865 -2.80693 61.2259 0.00449544 0.000563812 -0.000142169 47
13965 73 C 40.5752 -2.69979 59.8381 0.00458305 0.000412889 0.00224161 47
13966 74 C 39.7244 -3.06476 58.6195 -0.000117013 0.00700007 -0.00102511 47
13967 75 C 40.5428 -2.88171 57.3175 0.00331686 0.00546038 0.00170194 47
13968 76 C 39.7831 -3.38193 56.096 0.000810401 0.00145733 -0.00274067 47
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13970 78 C 39.5985 -3.63432 53.5408 0.00163969 0.00304583 0.00606162 47
13971 79 C 40.0788 -3.02837 52.2211 -0.00239183 0.00247075 0.00304587 47
13972 80 C 39.3653 -3.69698 51.0639 0.00253915 0.000669712 -0.00338816 47
13973 81 C 39.5754 -3.09781 49.694 0.00232047 0.00273231 -0.000582564 47
13974 82 C 37.3212 4.01467 62.4969 -0.00124256 0.00336176 0.00508399 47
13975 83 C 37.7208 4.58554 61.1094 -0.000274555 -0.00172204 -0.00275827 47
13976 84 C 37.0245 3.956 59.8592 0.00211583 -0.00145907 -0.000895562 47
13977 85 C 37.3447 4.62699 58.521 -0.00158538 0.00120081 -0.00164119 47
13978 86 C 36.6236 3.95389 57.3776 0.00305308 -0.00306916 0.00238127 47
13979 87 C 36.7453 4.75598 56.0407 -0.00184309 0.00160944 0.00409939 47
13980 88 C 36.1851 3.86777 54.8639 0.000687945 -0.00455834 0.00098854 47
13981 89 C 36.505 4.49662 53.4877 0.000186916 0.000922838 -0.00204782 47
13982 90 C 36.0371 3.65483 52.3183 -0.000401253 -0.00124024 0.00325154 47
13983 91 C 36.1612 4.45679 51.0227 0.00179661 0.000591788 0.0018292 47
13984 92 C 36.0311 3.53824 49.7709 -0.000283182 0.00338801 -0.00057629 47
13985 93 C 36.3164 4.30711 48.4675 -0.000223377 -0.00228233 -0.00204065 47
13986 94 C 37.4907 4.93961 82.5898 0.00219726 -0.000241003 0.00295547 47
13987 95 C 37.3798 5.18545 84.0609 0.00185662 -0.00183237 -0.00220415 47
13988 96 C 35.8742 5.2455 84.429 -0.000371949 -0.00318609 -0.00246452 47
13989 97 C 35.5904 5.65215 85.9008 0.00132332 0.00230177 0.00153218 47
13990 98 C 36.3388 4.77443 86.856 -0.00237937 2.00376e-05 0.0031505 47
13991 99 C 35.7981 4.73675 88.2922 -0.00376087 -0.00487858 0.00309695 47
13992 100 C 36.0703 6.10519 88.9394 -0.000642193 0.00578878 -0.00483875 47
13993 101 C 35.6225 6.01415 90.4158 -0.00149588 0.00144214 0.00136791 47
13994 102 C 36.5621 5.18304 91.3412 0.000886919 0.00305167 0.00301959 47
13995 103 C 36.1779 5.41646 92.797 0.00258799 0.00222595 -0.00503441 47
13996 104 C 37.0073 4.60726 93.7622 -0.00353787 -4.43593e-05 -0.00512431 47
13997 105 C 36.6752 4.7646 95.2294 0.00286102 -0.00193201 0.00366913 47
13998 106 C 43.6034 8.53026 82.6503 -0.000370981 -0.000271285 0.00251372 47
13999 107 C 43.5968 8.53689 84.2107 -0.000438944 -0.00404973 -0.00309229 47
14000 108 C 44.2836 9.84911 84.7632 -0.00158348 0.000390461 -0.00263843 47
14001 109 C 43.8184 10.2455 86.1753 0.000408184 -0.00130846 0.00543757 47
14002 110 C 44.176 9.30362 87.3173 0.00359361 0.00138917 0.00194847 47
14003 111 C 43.9321 9.97514 88.6355 0.00252568 0.000737712 0.000814413 47
14004 112 C 44.0987 9.07401 89.8168 -0.00368478 -0.00167204 -0.00237362 47
14005 113 C 43.8374 9.80779 91.1694 0.00103737 -0.00111373 0.000498295 47
14006 114 C 44.0356 8.94892 92.4127 -0.000284108 -0.000580264 -0.00253335 47
14007 115 C 44.1142 9.868 93.6498 -0.000970335 0.00163035 -0.000866417 47
14008 116 C 44.0033 9.12231 94.9845 -0.00315792 -0.000617779 0.0046747 47
14009 117 C 44.3368 10.1229 96.0438 7.95757e-05 -0.00363041 -0.0013462 47
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14224 30 C 44.214 9.5326 70.2552 0.00107968 0.00130579 -0.0037608 48
14225 31 C 43.839 9.24012 69.1336 0.00302546 0.00171904 -0.00119108 48
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14230 36 C 42.6483 7.91008 67.2386 0.00218797 0.00119888 -0.00184855 48
14231 37 C 42.1182 6.93357 68.0834 -9.14635e-05 -0.00132162 0.00253049 48
14232 38 C 43.5495 9.07797 67.6987 -1.52853e-05 0.000342034 0.00139821 48
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14234 40 C 47.097 9.00812 65.135 0.00166888 -0.0028632 -0.000297561 48
14235 41 C 45.7717 8.92785 64.6373 -0.00128502 -0.00323603 0.00153137 48
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15139 39 C 12.184 15.9891 66.6021 -0.000472452 0.00210089 0.00352166 51
15140 40 C 12.1323 15.9419 65.2288 0.00274062 0.00388008 0.00122045 51
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15205 105 C 5.60649 18.6733 95.2248 -0.00127273 -0.00234112 -0.00064974 51
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15211 111 C 12.4106 23.8753 87.8241 0.00127467 0.0024515 0.000748883 51
15212 112 C 12.8187 22.8438 88.9235 -0.000822219 -0.00272877 -0.00170433 51
15213 113 C 13.574 23.5552 90.092 -0.000360052 0.000243983 0.000233414 51
15214 114 C 13.4228 22.7716 91.3828 -0.000994509 -0.00332527 -0.00478864 51
15215 115 C 13.9015 23.4776 92.6494 0.00251919 0.000252917 0.00482815 51
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15219 119 C 12.5756 15.2694 84.4209 -0.00455811 0.000263629 -0.00224459 51
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15224 124 C 13.4481 15.0567 89.6191 -0.000831519 -0.000609603 -0.00015556 51
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15325 225 H 7.33653 16.9506 50.0726 -0.000201747 0.00601444 -0.00648539 51
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15332 232 H 4.31483 20.1014 83.736 0.00533559 0.00528728 0.0119324 51
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15350 250 H 4.91029 19.4822 95.4785 -0.00752398 -0.00861718 0.00220309 51
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15360 260 H 12.9823 21.9305 85.5117 -0.00361289 -0.00282034 0.00578579 51
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15362 262 H 13.2672 24.9055 86.1671 -0.00223599 0.00869108 0.0178516 51
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15364 264 H 11.3343 23.7687 87.6407 0.00284294 0.00816113 -0.01161 51
15365 265 H 11.9206 22.3607 89.3276 0.00890033 -0.00542492 0.016727 51
15366 266 H 13.4195 22.0566 88.4516 0.016369 0.00541721 0.00659803 51
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15368 268 H 13.187 24.5663 90.2688 -0.00304507 -0.00218089 0.00819694 51
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15399 299 H 14.9381 14.9122 93.6413 -0.000973539 -0.00197338 0.01071 51
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15405 3 C 15.5803 27.4866 77.765 -0.000164828 0.0021621 -0.000143857 52
15406 4 C 14.9841 26.4726 78.5519 0.000230137 -0.00261095 0.00289844 52
15407 5 C 14.8947 26.5243 79.9466 0.000700597 0.00142756 0.000295256 52
15408 6 C 15.4476 27.6503 80.5868 -0.00676294 -0.0045024 -0.001499 52
15409 7 C 10.3532 25.3649 79.6683 0.00234032 -0.000287617 -0.0046794 52
15410 8 C 10.4356 25.2534 78.2712 -0.00482553 -0.00467392 0.000966552 52
15411 9 C 11.7023 25.1807 77.7099 -0.00328016 0.000314836 0.00329346 52
15412 10 C 12.8743 25.217 78.4983 -0.000924988 0.00128389 0.00443742 52
15413 11 C 12.7684 25.26 79.9351 -0.000808181 0.00218894 -0.00172243 52
15414 12 C 11.4701 25.3514 80.5136 0.00387384 0.000597807 -0.00399862 52
15415 13 C 16.228 21.918 79.9381 -0.00292405 0.00112891 -0.00226427 52
15416 14 C 16.2658 21.9333 78.5385 -0.00144482 0.0054545 -0.000404106 52
15417 15 C 15.6564 22.9994 77.8867 0.00192022 0.00125026 0.00183599 52
15418 16 C 15.033 24.0134 78.6296 -0.00140813 -0.00407057 0.00570317 52
15419 17 C 14.3314 25.2171 77.9333 0.000454903 -0.00189079 0.00187912 52
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15422 20 O 15.4645 27.8236 81.9584 0.00401586 0.000511929 -0.000126051 52
15423 21 C 15.5978 22.9475 80.6924 0.00140768 0.00457255 0.00354185 52
15424 22 C 14.3481 25.126 76.4461 0.00393975 -4.36352e-05 0.00183592 52
15425 23 C 14.2674 24.9076 75.2575 -0.00302092 0.000752312 0.00189938 52
15426 24 C 14.0544 24.5602 73.9002 -0.00223462 0.00244451 -0.000509454 52
15427 25 C 13.754 25.5537 72.9815 0.000212879 -0.00270283 0.00155791 52
15428 26 C 13.3184 25.1638 71.6787 0.0037486 -0.00378383 -0.00221649 52
15429 27 C 13.2437 23.7834 71.3116 -0.000954983 -0.00571772 -0.00246154 52
15430 28 C 13.609 22.8226 72.2635 0.00111291 0.00310882 -0.00196062 52
15431 29 C 13.9898 23.2052 73.5545 -0.00164289 -0.0020919 0.00379309 52
15432 30 C 12.7845 23.3654 70.0164 -0.00154995 0.00241256 0.00182234 52
15433 31 C 12.4215 23.1259 68.8936 0.00145667 0.00133512 0.00404074 52
15434 32 C 10.1231 19.6338 67.4472 -8.23033e-05 0.00232197 0.00142381 52
15435 33 C 10.0573 19.3944 66.0429 -0.000403562 -0.000708566 0.000769006 52
15436 34 C 10.6668 20.3161 65.1615 0.00154751 1.04025e-05 -0.00016254 52
15437 35 C 11.2686 21.4568 65.6758 -0.00247318 -0.000865229 0.00325061 52
15438 36 C 11.3892 21.658 67.0817 -0.000764403 -0.00054041 -0.00476713 52
15439 37 C 10.7674 20.7701 67.9642 -0.000861334 -0.00349199 -0.00245114 52
15440 38 C 12.2016 22.8613 67.4651 -0.00224692 -0.00299413 0.004915 52
15441 39 C 15.9482 22.5194 66.334 0.000366632 0.00279119 -0.00230152 52
15442 40 C 15.7897 22.5258 64.9507 -0.0008775 -0.00195639 -0.00365649 52
15443 41 C 14.4814 22.5198 64.4012 0.00386644 -0.00117164 -0.00548425 52
15444 42 C 13.3555 22.5529 65.2495 -0.00242874 -0.0013509 0.000432532 52
15445 43 C 13.5238 22.6415 66.6563 0.00465555 0.000106658 0.00306644 52
15446 44 C 14.8196 22.5661 67.1556 0.000289306 -0.00338276 -0.00113515 52
15447 45 C 10.2175 26.0684 66.6353 0.000949951 -0.00472782 -0.00192334 52
15448 46 C 10.3205 25.9615 65.2235 0.00351042 -0.000109352 -0.000181298 52
15449 47 C 10.9249 24.8661 64.5889 0.00243944 0.00188829 -0.000134759 52
15450 48 C 11.4199 23.8531 65.3857 -0.000451217 0.00322432 -0.00495812 52
15451 49 C 11.9278 22.5219 64.8316 0.00382454 0.0041071 0.00132901 52
15452 50 C 11.5091 24.0275 66.7676 0.000445182 0.00100148 -0.000641566 52
15453 51 C 10.8844 25.1024 67.417 0.00158104 0.00283298 -0.00246586 52
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15456 54 O 10.9877 24.8294 63.2113 0.00218507 0.00255701 -0.00327383 52
15457 55 C 14.1927 25.3023 80.6004 -0.00116825 -0.00420229 -0.000677709 52
15458 56 C 14.9464 24.033 80.0196 -0.00310881 0.00231771 -0.00413059 52
15459 57 C 13.5697 21.5928 62.2761 0.00218289 -0.00296799 -0.00299936 52
15460 58 C 12.855 22.3088 61.1443 -0.00261084 -0.00162346 -0.00442549 52
15461 59 C 12.7938 21.5051 59.832 0.000137953 -0.000295161 -0.00746952 52
15462 60 C 12.2948 22.3638 58.6927 0.00571074 -0.00483937 -0.0019467 52
15463 61 C 12.5497 21.6619 57.326 -0.00317769 -0.0020059 0.00167447 52
15464 62 C 11.9487 22.3904 56.1037 -0.00452984 0.00152347 0.000916408 52
15465 63 C 12.4563 21.6444 54.8207 -0.00362443 -0.000880695 -0.00327086 52
15466 64 C 11.9185 22.3049 53.5475 0.00270864 0.00126801 -0.00231221 52
15467 65 C 12.4259 21.5141 52.2962 -0.00238688 -0.00156806 0.00188714 52
15468 66 C 11.6933 21.8706 50.9718 -2.07782e-05 -0.00510701 -0.00144502 52
15469 67 C 12.2535 21.1422 49.7122 0.000529665 0.00118779 -0.00384853 52
15470 68 C 13.6906 21.5683 49.3042 0.000940058 -0.00291958 0.000411375 52
15471 69 F 12.9356 26.1115 70.8168 0.00120734 0.000574859 0.00217942 52
15472 70 C 9.73282 19.4651 63.0572 0.000846585 0.00174738 -0.00205751 52
15473 71 C 10.0746 19.8827 61.6126 0.000465279 -0.000334765 -0.00174324 52
15474 72 C 9.20724 19.2271 60.5056 -0.000272987 -0.00144791 -0.000680985 52
15475 73 C 9.66135 19.7269 59.0506 0.0027928 -0.00227638 0.00563545 52
15476 74 C 8.75529 19.2499 57.9069 -0.000153641 -0.00685175 -0.00324447 52
15477 75 C 9.26346 19.8374 56.5574 0.00106777 -0.00346864 -0.00375341 52
15478 76 C 8.44997 19.3401 55.3637 -0.00295622 -0.00351196 0.00102545 52
15479 77 C 8.90182 19.7807 53.9588 -0.000264202 0.00187804 -0.00169897 52
15480 78 C 8.00545 19.1349 52.9052 0.00208935 0.00251744 -0.0034074 52
15481 79 C 8.29836 19.5351 51.4472 0.00200031 -0.00177653 -0.00203591 52
15482 80 C 9.44115 18.7356 50.7793 -1.85936e-05 0.000405262 0.000394136 52
15483 81 C 9.42368 18.9524 49.2944 -0.00153318 0.0019134 -0.0033408 52
15484 82 C 12.0739 25.587 62.57 -0.00123177 0.00300665 -0.000945599 52
15485 83 C 11.833 25.7099 61.0197 -1.69759e-05 0.00166566 -0.000654564 52
15486 84 C 12.909 26.4521 60.1826 -0.00797036 -0.00278156 -0.0005514 52
15487 85 C 12.5372 26.9863 58.7544 -0.00398464 0.00061383 8.97469e-05 52
15488 86 C 12.5218 25.9592 57.6113 0.00639314 0.000395595 -0.00224984 52
15489 87 C 12.1597 26.7116 56.3212 -0.000372918 -0.00137577 -0.00203661 52
15490 88 C 12.2051 25.8848 55.0044 -0.000937354 -0.00141367 0.00259515 52
15491 89 C 12.1893 26.7618 53.7283 -0.00263022 -0.000950858 -0.000245107 52
15492 90 C 12.0639 25.924 52.4476 0.00176127 0.000102065 -0.00249646 52
15493 91 C 12.0108 26.8546 51.1915 0.00101162 -0.000584459 -0.00218957 52
15494 92 C 11.8019 26.1518 49.8499 0.00101185 -0.00059115 0.00288155 52
15495 93 C 13.016 25.3138 49.4366 0.00124355 -7.79165e-05 0.0016815 52
15496 94 C 10.0141 25.5602 82.4762 -0.00278014 -0.000561903 0.00299212 52
15497 95 C 9.96744 25.1525 83.969 -0.00618235 0.00125491 -0.00118954 52
15498 96 C 8.60348 25.4474 84.6533 -0.000467426 -0.00126451 0.00270285 52
15499 97 C 8.48459 25.0849 86.179 0.00520508 0.00510245 -0.00282933 52
15500 98 C 9.37122 26.0148 87.0097 -0.000939929 0.00240091 -0.0035754 52
15501 99 C 9.00001 26.0055 88.5196 0.000440778 0.00214746 0.00331996 52
15502 100 C 10.0022 25.4442 89.546 0.00300101 0.00259719 -0.00313977 52
15503 101 C 9.58009 25.7486 91.0133 0.00136375 0.00176059 -0.000646066 52
15504 102 C 10.6846 25.2376 91.9902 0.00275551 0.00595212 0.00186577 52
15505 103 C 10.5952 25.7733 93.4043 -0.00484855 -0.00297282 -0.00284112 52
15506 104 C 9.72565 24.9707 94.4082 0.0021996 0.00255572 0.00112277 52
15507 105 C 9.96891 25.5197 95.7945 -0.00240707 0.000318104 -0.000660841 52
15508 106 C 15.4344 29.1512 82.6252 -0.00235373 0.00087269 -0.000289821 52
15509 107 C 16.857 29.589 83.0354 -0.00161138 -0.00217097 0.000802381 52
15510 108 C 16.9254 30.6581 84.0817 0.000633824 -0.00555044 0.000874105 52
15511 109 C 16.4131 30.2496 85.4506 0.0027623 0.00082932 -9.9951e-05 52
15512 110 C 16.8823 31.0792 86.6444 -0.00278252 -0.000559413 0.000951732 52
15513 111 C 16.3664 30.5539 88.0197 0.00177879 0.00175993 0.00399231 52
15514 112 C 17.1115 31.0769 89.2533 0.000292392 0.000208682 -0.000186789 52
15515 113 C 16.672 30.2944 90.5446 -0.00286807 0.00318935 0.00159678 52
15516 114 C 17.5181 30.6369 91.7664 -0.00069478 -0.000713337 0.00529587 52
15517 115 C 16.9973 29.9809 93.0771 -0.000568203 0.00196974 0.00276596 52
15518 116 C 17.859 30.3345 94.3123 4.53554e-05 0.00361225 -0.00176692 52
15519 117 C 17.3874 29.7343 95.6507 0.00191781 -0.000184847 0.00154001 52
15520 118 C 16.1654 21.7792 82.7781 0.000365097 0.00397637 0.00345131 52
15521 119 C 16.0638 21.978 84.2942 -0.000182263 0.000592506 -0.00206707 52
15522 120 C 16.8606 20.984 85.1085 0.000545241 -0.0019747 -0.00115229 52
15523 121 C 17.1432 21.435 86.5206 -0.000887665 0.00263834 0.00234103 52
15524 122 C 16.0152 21.1025 87.5637 0.0006495 0.00207451 -0.000863556 52
15525 123 C 16.3237 21.714 88.9621 0.000479291 0.00291862 -0.00224793 52
15526 124 C 17.6828 21.3486 89.5753 -0.00015867 -0.00110436 -0.000696096 52
15527 125 C 17.9096 21.5122 91.0824 -0.00193271 0.000318438 0.00281978 52
15528 126 C 16.9079 20.7965 92.0047 0.000151985 -0.00381058 -0.000104516 52
15529 127 C 17.4331 20.5514 93.4497 -0.000335905 0.00231964 -0.00213827 52
15530 128 C 17.3414 21.7444 94.3803 0.00141229 0.00416335 -0.00295238 52
15531 129 C 17.9999 21.3729 95.7218 0.00378722 -0.00257248 0.00154664 52
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15535 133 H 15.5725 27.4602 76.6794 -0.00638991 0.0130857 -0.000371132 52
15536 134 H 9.35524 25.485 80.0793 0.00569219 -0.00635282 0.00526103 52
15537 135 H 9.54456 25.3049 77.6526 0.000835551 0.013221 -0.00570379 52
15538 136 H 11.8188 25.1645 76.6303 -0.00575376 -0.00606612 0.0031308 52
15539 137 H 16.7539 21.119 80.4524 0.00312635 0.0087455 0.00341248 52
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15541 139 H 15.611 22.9933 76.8017 -0.00208704 -0.00958059 0.00206265 52
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15545 143 H 9.50717 18.5415 65.6564 -0.00232075 -0.00391033 0.0105573 52
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15548 146 H 16.6789 22.5661 64.3285 0.00937999 -0.00708962 0.0106568 52
15549 147 H 14.9595 22.4756 68.2288 0.0103192 -0.011031 -0.00307922 52
15550 148 H 9.64263 26.8768 67.0773 -0.0110793 -0.0156782 0.00245592 52
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15555 153 H 14.2952 20.869 61.8847 -8.95223e-05 -0.00261165 -0.0078788 52
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15560 158 H 13.8024 21.1717 59.5584 0.00099206 0.00142423 -0.00642147 52
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15575 173 H 11.5899 21.3565 48.8653 0.00045575 -0.00493791 -0.00534512 52
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15584 182 H 9.2767 18.1387 60.624 0.00156934 1.74861e-05 0.0118431 52
15585 183 H 8.142 19.4496 60.6439 0.00359911 0.0129155 0.00579345 52
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15590 188 H 9.19822 20.9306 56.6207 0.0221447 -0.00316332 0.0130823 52
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15707 3 C 19.5706 20.6476 77.1416 -0.00299852 -0.000523667 0.00242587 53
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15709 5 C 18.9514 19.7495 79.3493 0.000191032 0.00178535 0.000662318 53
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15718 14 C 20.1329 15.166 78.1634 0.00439745 0.00062258 0.000139448 53
15719 15 C 19.6388 16.1927 77.4154 -0.000851686 -0.00201279 0.00257434 53
15720 16 C 18.9893 17.2741 78.0688 -0.00137433 -0.00127842 0.000279071 53
15721 17 C 18.3214 18.4268 77.3429 -0.000975408 -0.00150968 0.00743413 53
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15725 21 C 19.5311 16.3508 80.2554 0.00259567 -0.000230292 0.00198904 53
15726 22 C 18.3519 18.3277 75.8669 0.00110589 -0.00115644 6.55059e-05 53
15727 23 C 18.1573 18.134 74.6955 0.000275044 -0.00198209 -6.21946e-05 53
15728 24 C 17.835 17.8033 73.3815 0.000840373 -0.00119106 0.00206722 53
15729 25 C 16.8118 18.497 72.7346 -0.00215863 -0.00547786 0.00242101 53
15730 26 C 16.3079 17.9955 71.5227 0.00172078 0.000462876 -0.0034392 53
15731 27 C 16.8848 16.8418 70.9765 0.000163447 0.0009319 -0.00399664 53
15732 28 C 17.9172 16.1732 71.6369 0.00174139 -0.00476052 0.000866666 53
15733 29 C 18.3924 16.6152 72.8599 -0.000544498 0.000623374 0.000719845 53
15734 30 C 16.5132 16.3606 69.6481 -0.00147765 -0.00435623 -0.00442669 53
15735 31 C 16.3587 16.0791 68.4744 0.00231997 0.00174421 -0.000174337 53
15736 32 C 14.5487 12.4422 66.7207 0.00249556 0.00225797 -0.00395389 53
15737 33 C 14.6425 12.2938 65.3241 -0.00206884 -0.00505257 0.00184655 53
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15740 36 C 15.5037 14.6769 66.5464 -0.000594901 0.000395252 -0.000605496 53
15741 37 C 14.9969 13.6058 67.3516 -0.0010345 -0.00103933 -0.00359556 53
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15743 39 C 19.984 15.5645 66.214 -0.000712924 0.000494311 -0.00280935 53
15744 40 C 19.929 15.5469 64.8121 -0.0013603 0.00455595 0.0019967 53
15745 41 C 18.6947 15.674 64.1435 -0.00589561 -0.00290419 -0.00131401 53
15746 42 C 17.5163 15.762 64.9217 0.00104066 -0.00508519 0.00186396 53
15747 43 C 17.5929 15.8405 66.3248 -0.00196441 0.00352119 -0.00427477 53
15748 44 C 18.8382 15.74 66.9687 -0.00245676 0.000758294 -0.00154559 53
15749 45 C 14.2518 19.1765 66.1986 -0.00029685 0.00117484 0.00103543 53
15750 46 C 14.2081 19.0813 64.7925 -0.00541491 -0.00358302 -0.00306087 53
15751 47 C 14.8104 17.9875 64.1571 0.00113591 0.0024133 -0.000226214 53
15752 48 C 15.4457 16.9948 64.9157 0.000962595 -0.000670972 0.00352614 53
15753 49 C 16.0948 15.7385 64.3751 -0.00393174 -0.00372864 0.00512566 53
15754 50 C 15.4792 17.0555 66.3402 0.00342137 0.00075264 0.00148733 53
15755 51 C 14.8757 18.163 66.9246 0.000657888 0.00462926 0.0016965 53
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15760 56 C 18.9394 17.3398 79.5012 0.00453352 0.00410467 -0.000283243 53
15761 57 C 18.2042 16.9165 62.0798 0.000364523 -0.000255268 0.00248647 53
15762 58 C 17.5515 16.5442 60.7692 -0.00245298 -0.00114558 -0.00273939 53
15763 59 C 18.5572 16.169 59.6731 0.000292025 0.000593281 -0.000762322 53
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15769 65 C 17.3746 14.4184 53.3025 0.00150772 -6.62885e-05 0.000191965 53
15770 66 C 16.9758 15.1622 51.9931 -0.00259871 0.00182375 -0.00264886 53
15771 67 C 17.6682 14.573 50.73 0.0022702 0.00105302 -0.00377453 53
15772 68 C 17.17 15.2966 49.4401 0.000934013 -0.000637228 -0.000207368 53
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15775 71 C 16.7809 12.7497 61.3973 0.00206563 0.00522562 -0.000332816 53
15776 72 C 17.0171 11.6877 60.2812 0.00176944 0.00259136 -0.00264495 53
15777 73 C 17.1607 10.2226 60.7267 0.000819376 -0.000337047 0.000389931 53
15778 74 C 17.99 9.47171 59.7154 0.00354557 0.00263481 -0.00163908 53
15779 75 C 17.2337 9.17445 58.4383 -0.00104827 0.00149107 -0.00126492 53
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15781 77 C 16.9106 9.55675 55.9583 0.00183291 -0.000833572 0.000734937 53
15782 78 C 17.3019 10.3635 54.6875 0.0024488 -0.00369996 0.00234992 53
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15787 83 C 13.3257 17.9539 60.8424 0.00266899 -0.00300212 0.000256081 53
15788 84 C 14.0261 17.0421 59.7813 0.00103012 0.00255483 -0.000497539 53
15789 85 C 13.9278 17.539 58.3146 -0.00265907 0.00123756 -0.000231794 53
15790 86 C 12.718 16.9991 57.5243 0.00264033 -0.00117908 0.0049149 53
15791 87 C 12.8784 17.3922 56.0496 0.000256066 0.00275191 0.00197088 53
15792 88 C 11.7176 16.9489 55.1738 0.00199473 -3.53458e-05 -0.00266373 53
15793 89 C 11.8291 17.4517 53.6996 0.000437992 -0.00475133 0.00158925 53
15794 90 C 12.9671 16.7996 52.8801 0.00187987 -0.00258009 0.000784554 53
15795 91 C 12.9762 17.3614 51.4706 0.00174248 0.000514294 -0.000216627 53
15796 92 C 14.1412 16.7887 50.6459 -0.00144664 0.000415434 0.00294896 53
15797 93 C 14.082 17.3361 49.2518 0.00327469 -0.00131578 0.00434279 53
15798 94 C 14.064 18.9091 81.8996 0.00308153 0.00134048 -0.000353584 53
15799 95 C 14.0431 18.759 83.4291 0.00127303 -0.0016728 0.00233633 53
15800 96 C 12.654 19.1293 83.9801 0.000163946 -4.42745e-05 -0.00278471 53
15801 97 C 12.3077 18.6965 85.4086 0.00349052 -0.000334894 0.00683378 53
15802 98 C 13.3912 18.8999 86.49 0.0039769 0.00644535 -0.00252094 53
15803 99 C 12.7012 18.835 87.9079 -0.00155787 0.00330222 -0.00115185 53
15804 100 C 13.6112 18.972 89.1435 0.00225868 0.00614695 -0.00215729 53
15805 101 C 12.7353 19.0723 90.4258 0.000424398 -0.00143516 -0.00208538 53
15806 102 C 13.4744 18.9806 91.7643 0.00120808 -0.000292985 0.000355115 53
15807 103 C 12.4662 19.299 92.8787 -0.00338654 0.00348216 0.00271055 53
15808 104 C 12.8422 18.892 94.3412 -0.00244851 0.00246655 -0.00113668 53
15809 105 C 14.3142 19.1271 94.7408 -0.00316793 0.000736816 0.00104329 53
15810 106 C 20.0274 22.3346 81.9483 2.37731e-05 0.00169427 0.00510174 53
15811 107 C 19.7549 22.3532 83.465 -0.00409248 0.00110495 -0.00081414 53
15812 108 C 20.4465 23.5015 84.2578 -0.000330447 -0.000837628 -0.000704349 53
15813 109 C 20.6058 23.0333 85.7605 -0.00318136 0.000146028 -0.00103246 53
15814 110 C 20.9596 24.1213 86.7965 -0.00587457 0.00120543 -0.00354915 53
15815 111 C 21.302 23.41 88.1186 -0.00420442 0.000294536 -0.00178982 53
15816 112 C 20.9911 24.2007 89.4252 -0.00148489 -0.00421204 0.00320066 53
15817 113 C 21.3128 23.351 90.7075 -0.00263118 0.00173295 0.00228741 53
15818 114 C 20.9599 24.0537 92.0542 0.00345112 0.000676463 -0.00465801 53
15819 115 C 21.1312 23.0755 93.2282 0.00103227 -0.00463181 0.000286962 53
15820 116 C 20.9986 23.7718 94.5803 0.00313642 0.000667052 0.00108806 53
15821 117 C 21.6806 22.95 95.6803 0.00152172 0.00192455 -0.00234921 53
15822 118 C 20.1651 15.1997 82.3267 0.0019836 -0.00230013 0.000945684 53
15823 119 C 20.2804 15.2848 83.8609 -0.00839452 -0.00033424 0.00418299 53
15824 120 C 21.0236 14.0515 84.3405 0.00191589 -0.00130652 0.00209198 53
15825 121 C 21.5059 14.173 85.7772 0.000719727 0.00249044 -0.00178292 53
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16009 3 C 23.4489 27.4178 77.1259 0.00382548 -0.00198012 0.00334657 54
16010 4 C 22.8311 26.456 77.9559 0.000602514 0.00162563 -0.00336019 54
16011 5 C 22.8407 26.6576 79.3557 0.00300754 -0.0010058 0.00114555 54
16012 6 C 23.3347 27.8741 79.8904 -0.00549493 -0.000953522 0.00535929 54
16013 7 C 18.3379 25.4149 79.4724 0.00375129 -0.00345097 0.0015801 54
16014 8 C 18.3425 25.3747 78.0719 0.00209806 0.0018707 0.000652719 54
16015 9 C 19.5372 25.3252 77.3237 0.000355439 -0.0012931 0.00247733 54
16016 10 C 20.7576 25.2666 78.0641 -0.00381655 0.00477616 0.00080702 54
16017 11 C 20.7477 25.4484 79.4868 -0.00190065 0.000498183 -0.000803662 54
16018 12 C 19.5437 25.5427 80.1743 -0.00478333 0.000259065 -0.000181504 54
16019 13 C 23.996 21.9936 79.9153 -0.00295371 -0.00342499 0.000216888 54
16020 14 C 24.0017 21.8838 78.5046 1.77575e-05 -0.000584611 0.00104391 54
16021 15 C 23.4338 22.8731 77.7128 -0.00385655 0.00186294 0.000323708 54
16022 16 C 22.8585 24.0128 78.3119 0.00340919 -0.000140202 0.00592285 54
16023 17 C 22.1729 25.1613 77.4671 -0.000696625 0.00460068 0.000163672 54
16024 18 O 23.5018 23.2472 81.9842 -0.00170518 -0.000524373 -0.0025567 54
16025 19 O 19.6054 25.6254 81.5365 0.000699287 0.00227872 0.00273695 54
16026 20 O 23.2472 28.1208 81.28 0.00323416 5.6476e-05 0.00476494 54
16027 21 C 23.4646 23.1413 80.5697 -0.00186022 -0.000441008 0.00466439 54
16028 22 C 22.0861 24.9009 76.0348 0.000230739 0.000715902 -0.00651764 54
16029 23 C 21.9317 24.5729 74.8797 -0.00132091 -0.000270722 -0.00156429 54
16030 24 C 21.5865 24.0422 73.5866 0.00192956 0.000767787 -0.000500771 54
16031 25 C 21.4041 22.6646 73.4057 0.000510711 0.00170564 0.000504554 54
16032 26 C 21.0447 22.1637 72.1626 -0.000946109 0.00111916 0.00331942 54
16033 27 C 20.7034 23.0521 71.1143 -0.00192833 0.00399519 0.00439857 54
16034 28 C 20.8429 24.4653 71.3184 -0.00249427 -0.00398599 -0.0023474 54
16035 29 C 21.2964 24.9393 72.5374 0.000363888 0.000226501 -0.00644295 54
16036 30 C 20.3776 22.6454 69.7772 -0.00096563 -0.00132288 -0.00340089 54
16037 31 C 20.2039 22.4695 68.5885 -0.00181383 0.000471342 0.000398857 54
16038 32 C 18.0324 19.273 66.5402 0.000736208 0.00510649 0.00181962 54
16039 33 C 18.0013 19.3055 65.1235 0.000932924 -0.00446952 0.0011603 54
16040 34 C 18.6183 20.3304 64.4586 -0.0013261 0.00386496 0.00503716 54
16041 35 C 19.2646 21.3584 65.1426 0.00159729 0.000791182 -0.00596479 54
16042 36 C 19.304 21.3006 66.5499 0.0028612 -0.00477851 0.00139542 54
16043 37 C 18.7188 20.2587 67.2391 -2.96791e-05 0.00292736 -0.00158177 54
16044 38 C 20.0395 22.4664 67.1479 0.000645352 -0.004183 -0.00119436 54
16045 39 C 23.8224 22.5823 66.2858 -0.00187244 0.00263683 -0.000680448 54
16046 40 C 23.7454 22.6053 64.88 0.000349812 -0.00345547 -0.00304405 54
16047 41 C 22.5012 22.6093 64.244 0.00124916 -0.00308979 9.80383e-05 54
16048 42 C 21.3352 22.5967 64.9952 -0.00222358 -9.37623e-05 -0.00414286 54
16049 43 C 21.4019 22.571 66.4067 0.000935111 -0.00218299 0.000708176 54
16050 44 C 22.6402 22.5917 67.0609 0.000969306 0.00397366 0.00135707 54
16051 45 C 18.2249 25.9041 66.7725 0.000222863 -0.00165771 0.0007138 54
16052 46 C 18.288 25.9656 65.3721 0.00389879 -0.00195372 -0.0019488 54
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16543 235 H 20.1264 17.6164 85.7562 -1.81697e-05 0.00556889 -0.0061059 55
16544 236 H 20.1528 20.3637 87.1334 -0.00509568 0.00360302 0.00295008 55
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16547 239 H 22.0086 19.0135 87.9279 0.00290832 -0.00703673 -0.00193837 55
16548 240 H 20.6916 20.2562 89.6639 0.00416291 0.00197528 -0.00496599 55
16549 241 H 19.6329 18.8743 89.8329 -0.00395098 0.0117182 0.00490022 55
16550 242 H 21.2314 17.4945 90.8514 -0.00418048 0.00476601 0.00511794 55
16551 243 H 22.5523 18.6185 90.5982 0.00161615 -0.0046575 0.0146331 55
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16553 245 H 19.9607 19.1578 92.2625 -0.00235131 0.0146419 0.00547339 55
16554 246 H 21.4375 17.6069 93.3883 0.00104861 -0.000959375 -0.016983 55
16555 247 H 22.7894 18.6808 93.1262 0.00428067 0.0119946 -0.00218964 55
16556 248 H 21.6404 20.5054 94.58 0.0130358 -0.000716017 -0.0102789 55
16557 249 H 20.2347 19.4801 94.6999 0.000773603 0.000463042 0.00438764 55
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16559 251 H 23.0586 18.8381 95.7404 0.00144815 -0.0117829 -0.00251427 55
16560 252 H 21.7301 19.4759 96.7406 0.00153596 -0.0146912 0.0075115 55
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16563 255 H 27.2086 22.2618 84.2487 -0.00511901 -0.00699397 -0.0113812 55
16564 256 H 28.8592 21.6546 84.2499 0.00234847 0.00425243 0.000732783 55
16565 257 H 29.8088 23.844 84.1469 0.00516466 -0.00320158 0.002867 55
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16567 259 H 28.6428 24.9222 86.2914 0.00846864 0.0030576 -0.0092475 55
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16571 263 H 28.0692 22.0043 88.0898 0.00187771 -0.00767018 0.00363979 55
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16573 265 H 29.8525 24.1809 89.206 0.00865362 -0.0214381 -0.0085025 55
16574 266 H 28.0704 24.1716 89.1338 0.0103965 0.00773924 -0.00355531 55
16575 267 H 28.137 22.0833 90.6773 0.00144699 -0.00630301 -0.0136363 55
16576 268 H 29.8723 22.2655 90.8229 -0.00153765 -0.00712324 -0.00919655 55
16577 269 H 29.6604 24.4507 91.9754 -0.00392329 0.00748201 0.000469389 55
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16579 271 H 28.1332 22.1027 93.2782 0.00489398 -0.00212396 -0.00143491 55
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16581 273 H 29.5299 24.6279 94.5338 -0.00719321 0.00225898 5.99705e-05 55
16582 274 H 27.8883 24.2466 94.7032 -0.00727868 -0.0150371 0.00563528 55
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16595 287 H 29.059 15.9229 86.8413 0.0173607 -0.0120837 -0.00555878 55
16596 288 H 30.5166 14.4982 88.0394 0.00931213 -0.00173165 0.0236464 55
16597 289 H 29.2118 13.3481 88.5047 0.00345546 0.00102865 0.0142232 55
16598 290 H 28.2388 15.3127 89.9082 0.00990963 0.0282537 0.00494503 55
16599 291 H 29.734 16.1648 89.7607 -0.0138638 0.00447687 -0.00183121 55
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16601 293 H 29.6423 13.3621 90.8933 0.00521599 0.00653751 -0.0147065 55
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16611 1 C 31.6455 28.8136 80.0155 -0.000945135 -0.00292929 8.82477e-05 56
16612 2 C 31.6548 28.7951 78.6007 -0.00324581 -0.00216584 0.000686756 56
16613 3 C 31.0746 27.7174 77.9332 0.00078615 0.0036688 -0.00125604 56
16614 4 C 30.5317 26.6768 78.6707 0.00171 -0.00178003 0.00472197 56
16615 5 C 30.4586 26.7051 80.0664 -0.00366051 6.06025e-05 0.00249347 56
16616 6 C 31.0255 27.786 80.7467 -0.00459609 -0.00214338 -0.00055252 56
16617 7 C 25.9677 25.4123 79.9437 -0.00346947 -0.000302124 -0.00106685 56
16618 8 C 26 25.2977 78.5218 0.0022132 0.000996959 -0.00325958 56
16619 9 C 27.2529 25.2533 77.8685 0.00395341 -0.000985747 0.000956961 56
16620 10 C 28.4501 25.4037 78.6427 0.000104205 0.00145474 0.00204724 56
16621 11 C 28.386 25.4988 80.0742 0.000854972 -8.79147e-05 0.00204642 56
16622 12 C 27.1475 25.5585 80.7332 -0.000998109 0.00338637 -0.00352462 56
16623 13 C 31.8091 22.1752 79.9166 -0.00219047 0.00284161 0.00205499 56
16624 14 C 31.8073 22.188 78.5421 -0.00405593 -0.00435873 0.000925222 56
16625 15 C 31.1992 23.2646 77.8969 -0.00188584 0.00306427 8.79167e-05 56
16626 16 C 30.5886 24.2708 78.6471 0.00220464 0.00180176 0.000409464 56
16627 17 C 29.8424 25.4479 78.0553 -0.000460867 0.00296889 0.00212545 56
16628 18 O 31.3459 23.1814 82.0687 0.00191327 0.00152101 -0.000503269 56
16629 19 O 27.068 25.7404 82.1175 -0.00222306 0.00168448 -0.00211634 56
16630 20 O 30.8553 27.888 82.113 -0.000285122 0.000153405 0.00204415 56
16631 21 C 31.2491 23.2282 80.6963 -0.000905788 -0.000164017 0.00312289 56
16632 22 C 29.8004 25.3928 76.6032 -0.00271771 0.00251357 0.00144947 56
16633 23 C 29.6677 25.2149 75.4172 0.00105116 0.00329115 -0.00505186 56
16634 24 C 29.3182 24.7832 74.1087 -0.00296903 -0.000937141 -0.000742412 56
16635 25 C 28.0939 25.1637 73.5598 -0.00310299 0.00278881 0.00163405 56
16636 26 C 27.702 24.5724 72.3697 0.00322682 0.00375366 -0.00600353 56
16637 27 C 28.5149 23.6237 71.7176 0.00100419 -0.000874458 -0.00217813 56
16638 28 C 29.7336 23.2091 72.3063 -0.00124749 0.00328579 -6.03128e-05 56
16639 29 C 30.1071 23.793 73.5278 -0.000209549 -0.0020199 0.000191243 56
16640 30 C 28.1877 23.1387 70.4278 0.00132656 0.00271714 -0.00205717 56
16641 31 C 27.9611 22.8745 69.2533 -8.05721e-05 -0.00477057 0.00213208 56
16642 32 C 25.8077 19.3857 67.5582 -0.00279885 0.000216797 -0.00285024 56
16643 33 C 25.8031 19.2177 66.1827 0.00373009 -0.000375768 0.00253135 56
16644 34 C 26.3629 20.2187 65.3419 -0.00210072 -0.00525821 0.00380631 56
16645 35 C 26.9692 21.3417 65.9189 -0.00318675 0.00132685 0.0019642 56
16646 36 C 27.0585 21.4617 67.3338 -0.00379848 0.00418562 0.00153191 56
16647 37 C 26.4467 20.4955 68.1539 -0.0011769 0.00186607 -0.00299944 56
16648 38 C 27.7843 22.7097 67.8142 -0.00916732 0.00282566 -0.0012521 56
16649 39 C 31.6218 22.7828 66.8701 0.000194977 0.00104955 -8.12305e-06 56
16650 40 C 31.4668 22.7263 65.4697 0.00171369 0.00104552 0.00158239 56
16651 41 C 30.1906 22.6462 64.9063 -0.00336448 0.000443864 -0.000392208 56
16652 42 C 29.0786 22.5364 65.711 -0.000864162 -0.00258505 -0.00210582 56
16653 43 C 29.1695 22.6074 67.1199 0.00391209 -0.0017526 -0.00597368 56
16654 44 C 30.4419 22.7039 67.6833 0.000701381 0.000971997 0.00207957 56
16655 45 C 26.0749 26.0093 67.0763 -0.000351505 -0.00224156 0.0015235 56
16656 46 C 25.9979 25.9541 65.7057 0.00182155 0.00156726 0.000535045 56
16657 47 C 26.4959 24.8462 64.9978 -0.00171563 0.00209703 0.00291553 56
16658 48 C 27.0551 23.7967 65.7196 0.00163084 0.00160366 0.00487915 56
16659 49 C 27.6474 22.5078 65.1827 0.00192342 0.00358465 -0.000186774 56
16660 50 C 27.0913 23.8764 67.1239 -0.00111099 0.00276469 0.000374086 56
16661 51 C 26.5268 24.9307 67.8272 -0.00189677 0.000269034 0.00343596 56
16662 52 O 29.9488 22.8074 63.5803 0.00364905 -0.00154093 -0.000254275 56
16663 53 O 26.371 20.0562 63.9805 -0.000474229 -0.00420078 0.000688679 56
16664 54 O 26.4584 24.9912 63.6398 0.00145038 -0.00317206 -0.00427109 56
16665 55 C 29.7822 25.4623 80.7153 0.00219645 -0.00232468 0.0025913 56
16666 56 C 30.5509 24.2593 80.0644 3.95769e-06 -0.00204414 0.000445215 56
16667 57 C 30.5234 21.9554 62.6022 0.00394062 -0.000834129 0.00108513 56
16668 58 C 29.6177 22.1863 61.391 -8.88883e-05 0.00204106 -0.00160124 56
16669 59 C 30.2097 21.7283 60.051 0.00447897 0.00236526 0.000317747 56
16670 60 C 29.2244 22.0169 58.9144 0.000210551 -0.000546157 -0.00464899 56
16671 61 C 29.7556 21.5915 57.5726 1.91858e-05 0.000163694 0.00159738 56
16672 62 C 28.6774 21.8228 56.5396 0.00122122 -0.00176577 0.00244591 56
16673 63 C 29.1558 21.4569 55.1352 0.00381705 0.00108111 -0.0016165 56
16674 64 C 28.1108 21.6909 54.0152 -0.00248325 0.00506308 -0.00192059 56
16675 65 C 28.8824 21.7954 52.6719 -0.00462556 -0.0021483 0.0037296 56
16676 66 C 27.8824 21.8542 51.5039 0.00450757 -0.00222019 0.00282889 56
16677 67 C 28.6574 22.0587 50.2249 0.00354968 0.00132354 0.00110467 56
16678 68 C 27.8133 22.0496 48.9837 0.00265892 -0.00116017 0.000324689 56
16679 69 F 26.5181 24.9493 71.8739 0.00305418 -0.00358527 0.00279766 56
16680 70 C 25.2127 20.1469 63.1879 -0.00230087 0.00209394 0.000887493 56
16681 71 C 25.5025 21.235 62.1095 -0.00266265 -0.00185027 0.000773591 56
16682 72 C 26.0767 20.6825 60.8023 -0.000895992 -0.00128138 0.00318325 56
16683 73 C 25.0783 19.7457 60.0841 -0.0011578 0.000530027 -0.000759825 56
16684 74 C 25.366 19.5452 58.5537 0.00255654 -0.000874004 -0.000177574 56
16685 75 C 24.883 20.6883 57.611 0.00306043 0.00235891 -0.000746316 56
16686 76 C 24.9827 20.2206 56.1135 0.0011522 -0.00190584 0.00192201 56
16687 77 C 24.2608 21.1532 55.1302 -0.00147265 -0.00167548 -0.00116396 56
16688 78 C 23.8113 20.5498 53.7693 -0.00315932 -0.000641658 0.000274681 56
16689 79 C 25.0011 20.3457 52.7935 -0.00570688 0.000142187 0.000387099 56
16690 80 C 24.5413 19.9265 51.3975 -0.000461914 -0.000759857 0.00123658 56
16691 81 C 23.6522 18.6578 51.447 -0.00166925 -0.0026958 0.00137435 56
16692 82 C 27.5896 24.7484 62.7966 0.00185147 0.0032382 0.00139102 56
16693 83 C 27.7182 25.9007 61.7407 -0.00176442 -0.00149693 1.85058e-05 56
16694 84 C 27.5442 25.5414 60.2628 0.000650639 -0.00530626 -0.00178425 56
16695 85 C 28.6885 25.9876 59.3213 -0.00052704 0.00243012 -0.00270375 56
16696 86 C 28.2556 25.901 57.8642 0.00100075 0.000623012 -0.00303218 56
16697 87 C 29.3603 26.2221 56.8634 -0.00394999 -0.00241049 0.00298159 56
16698 88 C 28.8338 26.4059 55.418 -0.00188745 -0.00130876 0.00111618 56
16699 89 C 28.4485 25.1355 54.6883 0.000924179 -0.000408765 0.00441517 56
16700 90 C 27.7858 25.431 53.3044 0.000522605 0.00119732 -0.00299515 56
16701 91 C 28.7138 25.9447 52.2147 0.00144342 0.000864655 -0.00314882 56
16702 92 C 28.0393 25.88 50.8194 0.00380192 -0.00115213 0.00130967 56
16703 93 C 28.9347 26.2211 49.6437 -0.000668284 -0.000119337 -0.00378481 56
16704 94 C 25.7899 25.7258 82.7274 -0.00202421 -0.0020382 -0.00237147 56
16705 95 C 25.8239 25.7 84.2668 -0.000420151 0.00327586 -0.00342378 56
16706 96 C 24.4117 25.8849 84.9539 0.00265401 0.000636736 -0.00183235 56
16707 97 C 24.4159 26.0426 86.467 -0.000239235 0.0012578 -0.00309363 56
16708 98 C 24.9921 24.8397 87.2687 0.00230134 -0.0011008 0.000945729 56
16709 99 C 24.9589 24.9477 88.826 -0.00102855 -0.000205343 0.000670186 56
16710 100 C 25.079 26.3924 89.391 -0.000363975 -0.00141749 -0.00352576 56
16711 101 C 25.5081 26.439 90.8519 0.00318082 -0.00223397 -0.000481698 56
16712 102 C 24.4997 25.9477 91.9583 -0.00523346 -0.00269423 -0.000957393 56
16713 103 C 25.1939 25.9119 93.3433 0.00124941 -0.00103959 0.000968974 56
16714 104 C 24.2247 25.4616 94.421 0.00171753 0.00064419 0.000998998 56
16715 105 C 24.9843 25.0191 95.6256 -0.00154837 -0.00202112 0.00256263 56
16716 106 C 30.9053 29.1067 82.8481 -0.000905863 0.00219393 0.00102181 56
16717 107 C 32.2994 29.4691 83.3457 -0.000328234 -0.00250532 0.00258973 56
16718 108 C 32.401 30.3221 84.6001 -0.000854609 -0.00228845 0.000587505 56
16719 109 C 32.1658 29.5419 85.922 -0.00533316 -0.00321888 -0.000976553 56
16720 110 C 32.3159 30.4895 87.1571 -0.00435379 0.00330449 0.00543143 56
16721 111 C 32.4233 29.6232 88.4054 -0.000535251 -0.00289367 -0.00105469 56
16722 112 C 32.4066 30.446 89.7208 -0.00415083 0.00112689 -0.00171476 56
16723 113 C 32.4657 29.5556 90.9745 -0.00264526 -0.00355381 0.00228383 56
16724 114 C 32.3345 30.3279 92.2816 -0.00323594 0.000126479 -9.62078e-05 56
16725 115 C 32.6465 29.4911 93.5217 0.0021205 0.00204348 -0.00067675 56
16726 116 C 32.5771 30.313 94.8318 0.00144382 -0.00329507 -0.00346543 56
16727 117 C 32.8092 29.4466 96.0885 -0.000835278 0.00226656 -0.00226737 56
16728 118 C 32.3661 22.3554 82.6677 -0.00170317 -0.00205306 0.00179272 56
16729 119 C 32.2778 22.2029 84.1892 0.000831388 0.00145443 -0.00302014 56
16730 120 C 32.8629 20.8173 84.5827 -0.00284467 -0.000925276 -0.00092307 56
16731 121 C 33.4596 20.6937 85.9956 0.000138952 0.000467685 -0.00182073 56
16732 122 C 32.6565 21.3478 87.1272 0.00511254 0.00272263 -0.000734773 56
16733 123 C 33.1957 20.952 88.5146 0.00185861 -0.000769687 -0.00360559 56
16734 124 C 32.7637 21.9181 89.5989 -0.000411074 0.00463254 0.000996281 56
16735 125 C 33.3053 21.611 91.0053 0.00429332 0.000941856 0.000861853 56
16736 126 C 32.4497 20.5959 91.7857 0.00327035 -0.00227544 0.00143325 56
16737 127 C 32.9186 20.262 93.2268 -3.84671e-05 -0.00121244 -0.0036334 56
16738 128 C 32.6237 21.4464 94.2015 -5.842e-05 -0.00129932 0.00263296 56
16739 129 C 33.2843 21.2498 95.5827 -0.000750849 -0.00035299 -0.000813444 56
16740 130 F 27.2934 26.06 74.2121 -0.000562264 0.000667036 -0.000773837 56
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16764 154 H 30.5652 20.9106 62.9342 -0.00334037 -0.00242681 -0.0030533 56
16765 155 H 29.3286 23.2441 61.36 0.00468178 0.00343055 0.00130433 56
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16767 157 H 30.3716 20.6479 60.1513 -0.00661726 0.000947288 0.00307073 56
16768 158 H 31.1645 22.2179 59.823 -2.21705e-05 0.00595941 -0.0108845 56
16769 159 H 28.9976 23.09 58.8964 -0.00761615 -0.00225763 -0.00753288 56
16770 160 H 28.3297 21.4187 59.1268 0.0151186 -0.0214016 -0.000329407 56
16771 161 H 30.0103 20.5246 57.5832 0.00366747 0.000906517 -0.0111385 56
16772 162 H 30.6728 22.171 57.4101 -0.00823227 0.0143624 0.00554275 56
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16775 165 H 29.449 20.4005 55.0998 -0.00823115 -0.0016338 -0.0205978 56
16776 166 H 30.0611 22.0503 54.9572 0.0129097 -0.00937826 0.00969788 56
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16778 168 H 27.4274 20.8338 54.0594 0.0108172 -0.00570574 -0.00447256 56
16779 169 H 29.5625 20.9445 52.542 0.0058493 0.0045769 0.0145515 56
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16782 172 H 27.2868 20.9363 51.4261 0.00147103 -0.000318021 0.00357633 56
16783 173 H 29.4133 21.269 50.133 0.000237767 -0.00370543 0.0171017 56
16784 174 H 29.2523 22.9799 50.2531 0.00358713 0.00165494 -0.0103343 56
16785 175 H 27.1098 22.8908 49.0147 0.001456 -0.00238571 0.00640773 56
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16788 178 H 24.9621 19.1684 62.76 0.00590112 -0.00132818 0.00391948 56
16789 179 H 24.3493 20.4343 63.8005 0.00413528 0.000980425 0.0104726 56
16790 180 H 24.5686 21.7552 61.8632 0.00409814 0.0105964 0.00141475 56
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16792 182 H 26.3776 21.5523 60.2054 -0.00415086 0.00228759 0.00673619 56
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16795 185 H 24.0251 20.0449 60.1516 -0.00111475 0.00016133 0.00148226 56
16796 186 H 26.4318 19.3429 58.3905 0.00192928 -0.00448844 0.000197813 56
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16798 188 H 23.8561 21.0194 57.8088 0.0017493 0.00833386 -0.0173893 56
16799 189 H 25.5565 21.5481 57.7136 0.00313769 0.000850968 0.0112172 56
16800 190 H 26.0538 20.1611 55.8839 -0.00139539 0.00500441 -0.011638 56
16801 191 H 24.6162 19.1947 55.9847 0.00100283 -0.000389668 -0.00976987 56
16802 192 H 23.325 21.5113 55.5768 -0.00333698 0.00844723 -0.0131321 56
16803 193 H 24.8671 22.0499 54.9526 -0.00323856 -0.0027291 -0.0125512 56
16804 194 H 23.3997 19.5586 53.9961 0.00705138 -0.00586658 -0.00392075 56
16805 195 H 23.0352 21.1937 53.3375 0.00472187 0.0132953 0.00685567 56
16806 196 H 25.5737 21.2791 52.7296 0.00607552 -0.00845863 -0.0196088 56
16807 197 H 25.6376 19.5233 53.143 -0.00781547 -0.00198985 -0.000769724 56
16808 198 H 23.9046 20.7048 50.9588 0.00662707 0.00426808 -9.91238e-05 56
16809 199 H 25.422 19.831 50.7506 -0.00756435 0.0030084 -0.00898511 56
16810 200 H 22.7144 18.9619 51.9281 -0.00712381 0.00312816 -0.0129085 56
16811 201 H 23.3527 18.3389 50.441 0.00844826 -0.0180431 0.00325605 56
16812 202 H 24.0663 17.8171 52.0172 0.00564362 0.000415039 0.000629383 56
16813 203 H 28.4909 24.6902 63.4192 -0.00143254 -0.000667412 0.00578094 56
16814 204 H 27.4529 23.8056 62.2527 0.00260061 -4.86743e-05 0.0069183 56
16815 205 H 26.9514 26.6511 61.9696 0.000189548 0.00145825 -0.00312123 56
16816 206 H 28.6737 26.4199 61.8856 -0.00258114 -0.00321753 0.0115863 56
16817 207 H 27.4713 24.4567 60.1162 0.0151782 -0.00600922 -0.0039137 56
16818 208 H 26.583 25.9498 59.9273 -0.00697815 -0.011299 0.0127224 56
16819 209 H 29.0279 27.0145 59.5045 -0.00760854 0.00454734 -0.00147683 56
16820 210 H 29.5237 25.3021 59.5108 -0.00100601 0.0031683 0.00209799 56
16821 211 H 27.8042 24.9254 57.6457 -0.0175717 0.0084115 0.000413514 56
16822 212 H 27.4296 26.6125 57.7419 0.00740477 0.00645178 -0.0122137 56
16823 213 H 29.9119 27.1289 57.1409 0.00821629 -0.00872402 -0.000533667 56
16824 214 H 30.0627 25.3795 56.8714 0.00348956 0.00369595 -0.00778556 56
16825 215 H 27.9402 27.0418 55.4395 -0.0020134 -0.00175281 0.00922457 56
16826 216 H 29.626 26.8742 54.8209 0.00740202 -0.0128211 0.00437751 56
16827 217 H 29.3324 24.5074 54.5227 0.000789198 -0.0024577 0.0115302 56
16828 218 H 27.7189 24.6031 55.3109 -0.00512755 -0.0137267 -0.0140734 56
16829 219 H 27.3915 24.4719 52.9466 0.00460092 0.00254444 -0.0111151 56
16830 220 H 26.9602 26.1464 53.4044 0.00196514 0.0023781 0.000468338 56
16831 221 H 29.0842 26.9417 52.4836 -0.000115049 -0.00189411 0.00928273 56
16832 222 H 29.623 25.3313 52.2328 0.00264597 0.00279193 0.00227439 56
16833 223 H 27.6738 24.8578 50.6617 0.00392723 -0.00270195 0.0110448 56
16834 224 H 27.1622 26.5365 50.7635 0.00512864 0.000363401 -0.00175294 56
16835 225 H 29.8132 25.5814 49.4942 -0.00298477 -0.00659471 0.0106604 56
16836 226 H 28.4094 26.2225 48.6806 -0.00300768 -0.000353352 -0.0025033 56
16837 227 H 29.341 27.2313 49.7773 0.00468001 -0.00335586 0.0044253 56
16838 228 H 25.2288 26.6341 82.4754 0.00921358 0.00307085 -0.00893178 56
16839 229 H 25.2194 24.8407 82.42 -0.0108442 0.00165061 0.0033444 56
16840 230 H 26.1724 24.7094 84.5843 -0.00052113 0.00145306 -0.00900274 56
16841 231 H 26.5206 26.4534 84.6547 -0.00553206 0.00247198 0.00734291 56
16842 232 H 23.9501 26.7729 84.5045 -0.00738284 0.00361332 0.014423 56
16843 233 H 23.7283 25.1018 84.6028 0.0103834 -0.00377353 -0.00707015 56
16844 234 H 25.0282 26.9109 86.7398 0.00525419 -0.00427082 0.00224084 56
16845 235 H 23.3908 26.2366 86.8061 -0.000564864 0.00435421 -0.00585683 56
16846 236 H 24.4589 23.954 86.902 -0.00753374 0.00608888 -0.00215713 56
16847 237 H 26.0277 24.7327 86.9229 -0.00369553 -0.0130768 -0.0133965 56
16848 238 H 24.0429 24.5398 89.271 -0.00497358 0.00245227 -0.00503622 56
16849 239 H 25.7822 24.3421 89.2246 0.00539472 0.00160469 -0.00985088 56
16850 240 H 25.8569 26.9212 88.8265 -0.00587423 -0.000416819 -0.0101877 56
16851 241 H 24.1784 26.9987 89.2342 0.00141396 0.00292735 0.00303131 56
16852 242 H 26.438 25.8592 90.9014 0.00244965 -0.00434867 -0.0114533 56
16853 243 H 25.832 27.4597 91.0901 -0.00218262 0.00261069 -0.0139954 56
16854 244 H 23.615 26.5914 92.0382 -0.00297163 -0.000897596 0.00979692 56
16855 245 H 24.1659 24.9232 91.7524 -0.00533138 -0.00247519 -0.00188244 56
16856 246 H 26.0158 25.1939 93.2316 0.00451522 0.00230197 0.00355831 56
16857 247 H 25.653 26.8726 93.6073 -0.000762153 0.000186824 -4.38491e-06 56
16858 248 H 23.5844 26.3074 94.7001 0.00850716 0.00287616 0.00985153 56
16859 249 H 23.6081 24.624 94.0723 0.00203017 0.00108163 -0.000603044 56
16860 250 H 24.3147 24.7504 96.4519 -0.00725701 0.00376529 -0.000192565 56
16861 251 H 25.6775 24.1794 95.4921 0.0149913 0.0108167 0.00745821 56
16862 252 H 25.5584 25.8556 96.043 0.00400001 0.000654812 -0.0104896 56
16863 253 H 30.4073 29.9049 82.2838 -0.00797245 0.00290387 0.00825537 56
16864 254 H 30.3491 28.903 83.7715 -0.00740948 0.00508994 -0.00226105 56
16865 255 H 32.8336 28.5334 83.5518 -0.00225422 -0.00764289 -0.0157139 56
16866 256 H 32.8253 29.9637 82.5197 0.0104866 -0.00797447 0.00618264 56
16867 257 H 33.4043 30.7655 84.6176 -0.00174344 -0.000187142 -0.00152314 56
16868 258 H 31.7764 31.2237 84.5776 -0.00929746 -0.00786006 0.0116744 56
16869 259 H 31.1542 29.1177 85.9336 -0.00998417 0.00828602 0.0165496 56
16870 260 H 32.9012 28.7312 85.9952 -0.000181234 0.00246178 0.0103008 56
16871 261 H 33.2129 31.1191 87.1079 -0.00312634 0.00105474 -0.000849911 56
16872 262 H 31.4375 31.1387 87.2593 5.85437e-05 0.00809873 0.0129162 56
16873 263 H 31.5281 28.9891 88.4126 -0.00358795 0.00155994 0.0121449 56
16874 264 H 33.291 28.952 88.3998 0.00597499 0.00550954 0.00160261 56
16875 265 H 33.2452 31.1527 89.692 0.00161632 -0.00553052 0.00307088 56
16876 266 H 31.4883 31.0375 89.822 0.0020109 0.0101825 0.0012999 56
16877 267 H 31.6653 28.8072 90.9225 0.00465888 -0.00964945 -0.0226422 56
16878 268 H 33.4031 28.9859 90.9939 -0.00646874 -0.00981955 0.00338396 56
16879 269 H 33.0873 31.1248 92.3227 -0.0104663 0.0075453 -0.0123029 56
16880 270 H 31.3478 30.7951 92.389 0.000341658 0.00325664 0.0193765 56
16881 271 H 31.9003 28.6876 93.4906 -0.00396123 0.00769738 -0.000958921 56
16882 272 H 33.6184 28.99 93.4331 -0.00282475 -0.00761749 -0.000427299 56
16883 273 H 33.3013 31.1363 94.7992 -0.0118697 0.00845283 -0.00314099 56
16884 274 H 31.6143 30.8301 94.9271 0.000105786 -0.006971 0.00294094 56
16885 275 H 32.9545 30.1206 96.9417 0.00594309 -0.00846462 0.00502135 56
16886 276 H 31.9074 28.8486 96.2692 0.00544344 -0.00665046 -0.000523908 56
16887 277 H 33.6651 28.7841 95.91 -0.00438443 -0.00486071 0.00726939 56
16888 278 H 32.3041 21.3289 82.2858 -0.00113531 -0.00325542 0.0049353 56
16889 279 H 33.3774 22.6978 82.4162 0.000485151 -0.0116494 -0.00254709 56
16890 280 H 31.2346 22.2358 84.5271 -0.00170558 -0.00317908 -0.0103937 56
16891 281 H 32.8382 22.9836 84.7182 -0.00855588 0.00962594 -0.00511702 56
16892 282 H 33.658 20.5193 83.8882 -0.00738917 -0.00267976 -0.00536969 56
16893 283 H 32.122 20.0161 84.4707 -0.00381972 -0.000533384 0.0027227 56
16894 284 H 34.4942 21.057 86.027 0.00163913 -0.00293166 -0.012059 56
16895 285 H 33.5312 19.6188 86.2029 -5.57999e-05 0.000299045 -0.0026279 56
16896 286 H 31.609 21.0446 87.0079 0.0103307 -0.0148912 -0.00187903 56
16897 287 H 32.7167 22.4294 86.9546 -0.004365 0.00450754 0.00724616 56
16898 288 H 34.2926 20.9461 88.5102 0.00181074 -0.00977203 -0.00418889 56
16899 289 H 32.8897 19.9172 88.712 0.00720993 -0.000569906 0.00566976 56
16900 290 H 31.6771 22.0663 89.5717 -0.00108472 -0.00238718 -0.0105036 56
16901 291 H 33.1025 22.9165 89.2959 -0.0084568 0.00654758 -0.00175687 56
16902 292 H 33.3531 22.524 91.6116 0.00120252 0.00289708 -0.00185626 56
16903 293 H 34.3599 21.3151 90.9435 0.00744393 0.0144333 -0.0103607 56
16904 294 H 32.4165 19.6682 91.2011 0.0150284 0.00168084 -0.00547943 56
16905 295 H 31.3898 20.8788 91.7825 -0.0021383 -0.0223176 0.00431749 56
16906 296 H 33.9637 19.9289 93.2198 0.000395219 2.49481e-06 0.00440051 56
16907 297 H 32.311 19.4206 93.5822 -0.0043345 0.00281194 -0.00142585 56
16908 298 H 31.5486 21.5119 94.4098 -0.00297541 -0.00416196 -0.0116704 56
16909 299 H 32.9709 22.4142 93.8189 -0.00655139 0.000421241 0.00110207 56
16910 300 H 32.9699 20.2765 95.9794 0.00896162 -0.000439769 0.00665006 56
16911 301 H 33.0464 22.0576 96.2856 -0.021169 -0.00587992 -0.00142105 56
16912 302 H 34.3791 21.2475 95.5133 -0.000582477 -0.00754091 0.00211102 56
16913 1 C 35.6304 21.9914 79.552 -0.000625001 -0.000600768 -0.00388336 57
16914 2 C 35.6015 21.9049 78.1348 0.00154125 1.51499e-05 0.000983302 57
16915 3 C 35.0861 20.7403 77.5711 0.000966648 0.00293821 0.005833 57
16916 4 C 34.5186 19.7291 78.3647 -0.000671775 0.000146909 0.00327625 57
16917 5 C 34.5721 19.8228 79.7817 -0.00563552 -0.0010144 0.000712662 57
16918 6 C 35.1192 20.9782 80.4087 0.00333208 -0.00393302 -0.000245589 57
16919 7 C 30.03 18.6481 79.8177 0.000108695 0.000591739 0.00089821 57
16920 8 C 30.0244 18.4671 78.4721 0.00172607 0.00174549 0.00240004 57
16921 9 C 31.2356 18.4371 77.786 0.00237704 0.00142209 0.00252173 57
16922 10 C 32.4561 18.4254 78.4876 0.00168732 0.00214155 -0.00136618 57
16923 11 C 32.4573 18.5838 79.8746 -0.00224245 -0.000719638 0.00366289 57
16924 12 C 31.2304 18.7195 80.5681 5.08798e-05 -0.00184483 -0.000162637 57
16925 13 C 35.8769 15.3176 79.9163 0.00139989 -0.000856158 0.00449892 57
16926 14 C 35.8882 15.3175 78.5235 -0.00130552 0.00108567 -0.00197276 57
16927 15 C 35.2854 16.3129 77.8143 0.000909888 0.00272904 0.00134458 57
16928 16 C 34.6247 17.3585 78.4902 -0.00405008 -0.00148282 -6.96209e-05 57
16929 17 C 33.8374 18.4653 77.8383 -0.00135514 0.00329734 -0.00617885 57
16930 18 O 35.2374 16.2278 82.023 0.00365485 0.00266294 0.000765678 57
16931 19 O 31.231 19.0106 81.936 -0.00403219 0.00010807 0.00118301 57
16932 20 O 35.1748 21.2074 81.8154 -0.00149539 0.000588865 -0.00385769 57
16933 21 C 35.2375 16.3197 80.6535 -0.00546103 -0.00100593 0.00113639 57
16934 22 C 33.811 18.3103 76.3916 0.000168028 0.00842225 0.00204078 57
16935 23 C 33.6309 18.1362 75.2021 -0.000241037 0.000739409 -0.00252841 57
16936 24 C 33.3599 17.8606 73.8242 -0.00304921 -0.00486758 0.00086287 57
16937 25 C 32.4981 18.6704 73.0569 0.00160316 -0.000693118 0.00521901 57
16938 26 C 32.0294 18.2328 71.7957 -0.00506611 0.000882909 -0.00123155 57
16939 27 C 32.4395 16.9688 71.2997 0.00131776 0.000908095 -0.0026247 57
16940 28 C 33.3 16.1518 72.0637 0.00211077 -0.000344678 0.000944911 57
16941 29 C 33.734 16.6281 73.3083 0.00421737 -0.0020983 -0.000791455 57
16942 30 C 32.1049 16.5961 69.9864 0.00193597 -0.00133665 0.000938171 57
16943 31 C 31.904 16.346 68.8169 0.000606991 0.00272073 -0.000778252 57
16944 32 C 30.2287 12.456 67.3193 -0.00331031 0.00130845 -0.000454318 57
16945 33 C 30.2252 12.2455 65.9292 0.00332004 0.00443841 -0.00230328 57
16946 34 C 30.6866 13.2669 65.0596 -0.00142527 -1.28185e-05 0.0015158 57
16947 35 C 31.0585 14.4864 65.5786 -0.000113147 0.00339643 0.00263026 57
16948 36 C 31.0799 14.6779 66.9773 -0.00198148 0.000897689 0.00261691 57
16949 37 C 30.639 13.6864 67.8507 0.0050036 -0.00282867 -0.000167498 57
16950 38 C 31.745 16.0466 67.3682 0.00432936 -0.000627266 -0.00222233 57
16951 39 C 35.5089 15.8577 66.4444 0.000715802 -0.00223354 -4.8722e-05 57
16952 40 C 35.3567 15.9011 65.0352 -0.00324659 0.00395872 0.00325914 57
16953 41 C 34.102 15.9497 64.4101 -0.00489674 0.00102743 5.33652e-05 57
16954 42 C 32.9815 15.9066 65.2193 -0.00258382 -0.000196989 -0.00466573 57
16955 43 C 33.0911 16.0271 66.6198 -0.000699993 0.00272696 -0.00249657 57
16956 44 C 34.3481 16.0004 67.2257 0.000923752 0.0013973 -0.00276402 57
16957 45 C 29.5201 19.0729 66.3713 -0.00122767 0.00333183 -0.000576904 57
16958 46 C 29.5146 18.8755 64.9849 0.00137615 -0.00372678 0.00156131 57
16959 47 C 30.1308 17.7751 64.4095 0.00177281 0.00321494 0.000586874 57
16960 48 C 30.7872 16.8647 65.2601 0.00201569 -0.00237327 0.00241907 57
16961 49 C 31.5277 15.6626 64.7439 -0.00369059 0.00447589 -0.000366904 57
16962 50 C 30.8526 17.0457 66.6461 0.0017783 -0.000204167 0.00564316 57
16963 51 C 30.1841 18.1501 67.1801 4.80281e-05 0.00257135 0.00177344 57
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17519 3 C 42.856 20.6891 77.6909 -0.00392658 0.00035463 0.00356749 59
17520 4 C 42.3149 19.6729 78.5415 0.00136133 -0.00054861 0.00040636 59
17521 5 C 42.3304 19.8248 79.9683 0.000472687 -0.00202346 0.00493234 59
17522 6 C 42.9172 20.9992 80.5335 0.00072194 -0.00245259 0.0016085 59
17523 7 C 37.904 18.6612 79.9517 -0.00103879 0.00286441 0.00283386 59
17524 8 C 37.9021 18.6537 78.5749 -0.00193718 -0.000313857 -0.0030129 59
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17530 14 C 43.7762 15.2318 78.7647 0.000222891 -0.00128928 0.0023828 59
17531 15 C 43.1412 16.2336 78.0798 -0.00504166 0.00134629 -0.00257584 59
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17545 29 C 41.8724 16.6111 73.3657 -0.00251387 0.000382909 0.0016829 59
17546 30 C 39.8789 16.261 70.2139 0.00502985 0.000783655 0.000795917 59
17547 31 C 39.6375 16.0433 69.0368 0.00260711 0.000472987 -0.00420572 59
17548 32 C 37.6313 12.5113 67.1424 -0.00172817 -0.00289398 -0.0043452 59
17549 33 C 37.7137 12.4204 65.7681 0.00107053 -0.000172561 0.00273642 59
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17617 101 C 37.3184 19.0051 90.758 -0.000965457 0.000986624 0.00210287 59
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17625 109 C 44.1584 23.0909 86.3818 -0.000306991 0.000495709 0.00116887 59
17626 110 C 44.3044 24.0065 87.6103 0.000170924 0.000266999 0.00347292 59
17627 111 C 44.412 23.1843 88.9046 -0.00110292 0.00063535 0.00026106 59
17628 112 C 44.5622 24.1276 90.1229 -0.00603613 -0.000209867 0.00381605 59
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17635 119 C 43.343 15.0033 84.502 0.000754521 -0.000762542 0.00230789 59
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17637 121 C 44.9375 14.4544 86.4911 -0.00224255 -0.000960653 -0.000822681 59
17638 122 C 44.0281 14.1963 87.6869 0.00201693 0.000467439 0.00426726 59
17639 123 C 44.6814 14.7073 88.9947 0.00231256 -0.00232909 0.00647203 59
17640 124 C 44.0024 14.0321 90.212 0.00147136 0.000939529 0.00137488 59
17641 125 C 44.7725 14.4001 91.5191 0.000224626 -0.00321192 0.00132449 59
17642 126 C 44.2503 13.6057 92.7545 0.000529716 0.00595204 0.00129836 59
17643 127 C 45.0846 13.7391 94.0436 0.00212518 -0.00257158 0.00299619 59
17644 128 C 44.7571 14.9841 94.8732 -0.00433368 -0.00355415 -0.00515295 59
17645 129 C 43.3784 14.8873 95.5748 0.000166356 0.00495964 -0.00112776 59
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19454 126 C 20.9271 28.3967 92.6206 -0.00129265 -0.00436829 -0.0010403 65
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19457 129 C 21.1027 27.336 96.4121 -0.00432474 -0.000740073 0.00641464 65
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19462 134 H 13.2738 32.2906 80.0623 -0.00571242 0.0125143 -0.0114536 65
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19464 136 H 15.6115 31.8893 76.5539 -0.00855027 0.00852497 -0.00105399 65
19465 137 H 20.5478 28.1267 80.944 0.0127775 0.00689615 0.000998671 65
19466 138 H 20.5194 27.8717 78.4976 -0.0020073 -0.00343885 0.0022788 65
19467 139 H 19.3939 29.4254 77.125 -0.0145956 -0.00228248 0.00034767 65
19468 140 H 15.295 31.6014 71.6425 -0.00592179 -0.00857944 0.000912191 65
19469 141 H 15.9884 32.2629 73.9611 -0.011109 0.00432866 -0.00841971 65
19470 142 H 13.889 25.1947 67.6068 -0.00656606 0.00374262 -0.00394279 65
19471 143 H 13.928 25.1495 65.1542 0.00131116 0.00428885 -0.014951 65
19472 144 H 14.8557 27.0819 68.8443 -0.00421185 0.0167454 -0.00366661 65
19473 145 H 20.8435 29.0177 67.3946 -0.00448012 -0.0124311 0.00397358 65
19474 146 H 20.7893 28.9111 64.8763 -0.00353966 -0.00163273 0.00253822 65
19475 147 H 18.8335 29.2488 68.6375 0.0113253 0.00509776 0.00361951 65
19476 148 H 13.6598 33.5008 67.5303 0.00618182 -0.00500949 0.00822918 65
19477 149 H 13.5128 33.4302 65.017 0.00636345 0.0011035 0.00451791 65
19478 150 H 16.0018 29.2413 63.8591 0.0105013 0.00484061 0.00197686 65
19479 151 H 14.7378 31.6799 68.7484 0.00577877 0.00220682 0.000609176 65
19480 152 H 18.0372 32.4106 81.6388 -0.00731204 0.0240822 -0.00513817 65
19481 153 H 17.4881 30.8979 62.8012 0.00391597 -0.00192714 0.0128168 65
19482 154 H 19.1716 30.9452 62.4162 0.00107083 -0.00159899 0.00264577 65
19483 155 H 18.8098 29.0632 60.7131 -0.00715363 -0.00300121 -0.00023224 65
19484 156 H 18.0396 30.5391 60.3808 0.0136135 -0.0104187 -0.0130142 65
19485 157 H 15.8189 29.8037 61.1386 -0.000688949 0.00289847 0.00502031 65
19486 158 H 16.5157 28.3169 61.8518 -0.000882785 0.0160267 0.0130989 65
19487 159 H 15.3286 27.8624 59.6922 0.00482849 -0.0160506 0.0094814 65
19488 160 H 16.992 27.4158 59.8092 0.00452273 0.00534307 -0.00496526 65
19489 161 H 17.5932 29.4549 58.3671 0.000605629 -0.000534051 -0.00196014 65
19490 162 H 15.944 29.9758 58.3487 -0.0069067 -0.00253163 0.0121337 65
19491 163 H 15.2999 27.7864 57.0991 -0.00870315 0.00862315 0.00164855 65
19492 164 H 17.0256 27.3591 57.1012 -0.00292594 -0.00107167 -0.0148937 65
19493 165 H 17.4046 29.5077 55.832 -0.00400962 0.00201289 0.000479942 65
19494 166 H 15.7401 29.9271 55.9086 0.00361191 0.000850733 0.0086575 65
19495 167 H 15.071 27.9223 54.662 0.00790209 -0.0062449 0.00359653 65
19496 168 H 16.7562 27.4889 54.4541 0.00292696 -0.00230554 0.00899723 65
19497 169 H 17.2574 29.5062 53.2106 0.00494896 -0.00115073 -0.000567352 65
19498 170 H 15.6449 30.1741 53.4442 -0.00601829 -0.000863586 -0.0142192 65
19499 171 H 14.7533 28.1294 52.2129 -0.005683 -0.000110803 -0.00466906 65
19500 172 H 16.3314 27.5198 52.0288 -0.0117616 -0.00844258 0.00518258 65
19501 173 H 17.0366 29.6103 50.7559 0.00101363 0.000254559 0.0156989 65
19502 174 H 15.4136 30.2057 50.8611 0.00432003 -0.00120775 -0.00127531 65
19503 175 H 15.8015 29.0653 48.6707 -0.0037714 -0.013449 -0.00909258 65
19504 176 H 14.6534 28.0848 49.6 -0.00202279 0.00527529 -0.00366755 65
19505 177 H 16.3561 27.5562 49.472 0.00513098 0.00213843 -0.00572684 65
19506 178 H 16.9606 26.383 63.1169 -0.00246928 0.010849 0.00316976 65
19507 179 H 16.029 25.0868 63.9255 -0.00840858 -0.0147481 -0.015021 65
19508 180 H 14.6765 24.8618 61.8608 0.000718522 -0.00284932 0.00760747 65
19509 181 H 15.6154 26.2025 61.1217 -0.00157992 0.00411279 0.00614353 65
19510 182 H 17.6525 24.753 61.2972 -0.0046429 -0.00155175 -0.00351387 65
19511 183 H 16.722 23.4845 62.0182 0.00566339 0.0139551 0.0151355 65
19512 184 H 17.0214 23.0383 59.6847 -5.77771e-05 -0.000547405 0.00488491 65
19513 185 H 15.3018 23.2283 59.9825 0.00591811 -0.00501342 0.00444077 65
19514 186 H 15.468 25.5636 58.856 0.00478071 0.0028727 0.00253757 65
19515 187 H 17.1591 25.2845 58.6784 -0.00133075 0.00862 0.000458338 65
19516 188 H 16.6656 23.1707 57.2547 -0.00298068 -0.000207027 -0.00772704 65
19517 189 H 14.9454 23.5357 57.4327 0.00928705 -0.0146203 0.00594915 65
19518 190 H 15.4014 25.6754 56.1177 0.00309929 0.00283433 -0.00865729 65
19519 191 H 17.1182 25.1403 56.0298 -0.00239607 -0.00321241 0.00107809 65
19520 192 H 16.3826 23.1504 54.8087 -0.00820913 -0.00327116 -0.00642515 65
19521 193 H 14.7086 23.5306 54.9446 0.00525456 -0.0155882 0.000941699 65
19522 194 H 15.0644 25.6258 53.476 0.00156883 -0.00150371 0.000145847 65
19523 195 H 16.7287 25.3223 53.6083 -0.00288631 0.00164653 -0.000514192 65
19524 196 H 16.4049 22.9867 52.4997 0.00761332 0.00761397 0.00639012 65
19525 197 H 14.833 23.5572 52.0111 -0.00538609 -0.00435613 0.0147464 65
19526 198 H 15.9244 25.5689 50.8838 0.00381191 -0.00351494 -0.00878227 65
19527 199 H 17.5071 24.9136 51.3238 0.00223893 -0.00559496 0.00112279 65
19528 200 H 17.1787 24.4658 49.0944 0.00217522 -0.00205485 0.000547627 65
19529 201 H 17.0355 22.8991 49.9489 0.00744406 0.0049498 9.11901e-06 65
19530 202 H 15.5744 23.71 49.3172 -0.00347764 -0.00247749 0.00884051 65
19531 203 H 12.6275 31.0215 63.896 0.00776724 -0.0119913 -0.000640726 65
19532 204 H 12.8651 32.3624 62.7984 0.0140751 0.012103 0.0033478 65
19533 205 H 13.9271 29.6439 62.036 -0.000514099 0.000211417 0.0165116 65
19534 206 H 12.2344 29.8799 61.7884 -0.013976 0.0175052 -0.00464511 65
19535 207 H 12.7058 32.0357 60.5542 -0.00118054 -0.00291652 -0.0106832 65
19536 208 H 14.394 31.5909 60.5894 0.00483954 -0.00856818 0.00173953 65
19537 209 H 13.9573 29.7296 59.1191 0.00220214 0.00393541 0.002286 65
19538 210 H 12.1987 29.7077 59.3989 0.00229592 -0.00303225 0.00746517 65
19539 211 H 11.9143 31.922 58.2871 0.00190562 0.00105945 0.00205895 65
19540 212 H 13.6263 32.0105 58.0149 0.00281956 -0.00310164 0.000399486 65
19541 213 H 13.4886 29.8196 56.6111 -0.00111683 -0.00743872 0.00774118 65
19542 214 H 11.7612 29.8539 56.9329 -0.00469491 0.00559542 -0.00545603 65
19543 215 H 11.5795 31.9393 55.634 -0.00491311 -0.00633684 0.012605 65
19544 216 H 13.3798 32.0427 55.5327 -0.000279987 0.000660738 -0.00467558 65
19545 217 H 13.3703 29.9006 54.2081 0.0036373 0.0112097 0.00988695 65
19546 218 H 11.6551 29.7967 54.306 -0.0127318 0.0118683 -0.0245828 65
19547 219 H 11.4934 31.9972 52.9953 0.00168784 0.00904099 0.00674039 65
19548 220 H 13.2672 32.0224 52.9782 -0.00280887 -0.00279961 -0.0125618 65
19549 221 H 13.2637 29.8595 51.7857 -0.00782861 -0.00614071 0.0168753 65
19550 222 H 11.5146 29.8634 51.7651 -0.00182919 -0.00303478 0.00245917 65
19551 223 H 11.5045 32.0078 50.4535 -0.00187193 -0.00232953 -0.00986674 65
19552 224 H 13.2946 32.0328 50.5484 -0.00530094 0.00397197 -0.0152405 65
19553 225 H 13.4509 29.9997 49.2404 -0.000758557 -0.00210148 -0.00382664 65
19554 226 H 11.6909 29.8138 49.1001 -0.00904723 0.0083424 -0.00194335 65
19555 227 H 12.5282 31.1598 48.3035 0.0115119 -0.00600008 0.00179819 65
19556 228 H 13.6342 33.7742 82.1188 -0.00658983 -0.00420672 0.00200803 65
19557 229 H 13.2465 32.0013 82.0833 0.00850671 -0.00818611 0.000591575 65
19558 230 H 14.4443 31.681 84.1989 0.00508732 0.00151214 0.000766121 65
19559 231 H 14.5051 33.4684 84.3852 -0.00447998 0.00481416 -0.00599322 65
19560 232 H 12.0197 33.5407 84.3226 -0.00338458 -0.0078845 0.00141835 65
19561 233 H 11.9738 31.8156 83.8893 0.0066931 0.0063639 -0.0210563 65
19562 234 H 11.4046 32.1249 86.1631 0.00167571 -0.00336679 0.0201655 65
19563 235 H 12.855 31.1109 86.0653 -0.00564968 0.00172401 0.00334398 65
19564 236 H 14.3632 32.938 86.7467 -0.000790067 -0.00478079 0.00537265 65
19565 237 H 13.0382 34.1295 86.693 0.0244396 -0.000119313 -0.00349143 65
19566 238 H 11.7927 32.7957 88.4743 -0.00605094 -0.00147919 -0.0181426 65
19567 239 H 13.0957 31.5688 88.3903 0.0110129 0.00689328 0.00847552 65
19568 240 H 14.7392 33.2077 89.2471 -0.000161084 -0.000738931 0.00571156 65
19569 241 H 13.4806 34.4231 89.3905 -0.0167009 -0.00172596 0.00284355 65
19570 242 H 12.1934 33.0912 90.9655 0.00221578 0.0113993 0.00607758 65
19571 243 H 13.2704 31.6877 90.655 -0.0086083 -0.000258668 0.0066665 65
19572 244 H 15.1663 32.8762 91.6756 -0.00460993 -0.000907146 0.0087938 65
19573 245 H 13.9798 34.2272 92.0176 0.00172765 0.00190838 0.00439294 65
19574 246 H 12.6763 32.6266 93.4173 0.000202907 -0.0105833 -0.00739608 65
19575 247 H 13.9292 31.3928 93.0783 -0.0179766 0.000936358 0.00930373 65
19576 248 H 15.5712 32.8886 94.2124 0.0018073 -0.0126223 0.0108795 65
19577 249 H 14.2165 34.0852 94.5335 0.0134963 0.00321655 0.00463762 65
19578 250 H 14.5734 31.3405 95.6032 -0.00580262 -2.51702e-06 -0.02195 65
19579 251 H 14.5479 32.7962 96.6133 -0.00822447 -0.00165101 0.0078217 65
19580 252 H 13.0328 32.2228 95.8083 0.00117371 -0.00642579 -0.00428836 65
19581 253 H 21.1519 36.119 81.6481 0.0015332 -0.0028843 0.00793465 65
19582 254 H 19.5246 36.7709 81.7131 -0.0173232 -0.0147453 0.00428753 65
19583 255 H 19.3178 36.0046 84.0689 0.00334293 0.00393605 0.00285103 65
19584 256 H 20.9058 35.2144 84.0064 -0.0148785 -0.000238332 0.0269299 65
19585 257 H 22.1279 37.1198 83.7689 -0.00529328 -0.0126053 -0.0122514 65
19586 258 H 20.8568 38.1604 83.2874 0.00227722 -0.00610519 -0.0139678 65
19587 259 H 21.2041 38.8041 85.4253 -0.00362517 0.00450426 -0.0049626 65
19588 260 H 19.7786 37.7126 85.579 -0.00137326 0.00520357 -0.00473121 65
19589 261 H 21.0581 35.9035 86.5132 -0.00121512 -0.00381264 0.0105375 65
19590 262 H 22.5731 36.8997 86.4341 -0.00416006 0.0098062 -0.0119217 65
19591 263 H 21.4376 38.7007 87.7615 0.018574 -0.00709301 -0.00427042 65
19592 264 H 20.0714 37.5984 88.0122 0.00337273 0.00560862 -0.00314797 65
19593 265 H 21.4995 35.9474 89.0972 0.00253655 -0.00218193 0.0120515 65
19594 266 H 22.9028 37.0832 89.0056 -0.00196969 -0.00316218 0.00296575 65
19595 267 H 21.6281 38.7419 90.3995 0.00121824 -0.00196581 -0.00349512 65
19596 268 H 20.214 37.7268 90.322 -0.00065717 -0.00517696 0.0127041 65
19597 269 H 21.5138 35.8448 91.4983 0.000544115 -0.00143354 -0.00334179 65
19598 270 H 22.8641 36.9458 91.7047 0.000327402 -0.00401315 0.0196781 65
19599 271 H 21.3864 38.5193 92.907 -0.00966765 -0.000162016 0.007484 65
19600 272 H 20.0263 37.3341 92.8071 -0.00725761 0.0130254 -0.0027797 65
19601 273 H 21.3013 35.6921 94.118 -0.0113339 0.00217858 -0.0166644 65
19602 274 H 22.6799 36.785 94.2405 7.47063e-06 -0.00414744 -0.00017409 65
19603 275 H 21.1414 38.3612 95.569 -0.00205794 -0.00109881 -0.000545829 65
19604 276 H 19.8899 37.1596 95.4064 0.000608237 -3.99384e-05 -0.0122027 65
19605 277 H 21.4103 36.759 96.2587 0.00804837 -0.00387483 -0.00303288 65
19606 278 H 19.4275 28.3968 83.0703 -0.00729793 0.0084272 -0.0011268 65
19607 279 H 21.1989 28.7351 82.7975 -0.00382125 0.000984302 -0.00436425 65
19608 280 H 19.5464 29.8643 85.1599 -0.000317963 0.00850203 -0.00428491 65
19609 281 H 21.2421 30.1065 84.7679 -0.00909297 0.0024103 -0.006525 65
19610 282 H 21.6385 27.5806 85.0389 -0.00311589 -0.00875863 -0.00444523 65
19611 283 H 19.9057 27.3154 85.2462 0.00487321 -0.00127771 0.00117037 65
19612 284 H 21.5358 28.9883 87.1864 -0.00475977 0.0120624 -0.0186512 65
19613 285 H 21.2326 27.2176 87.2965 -0.00674795 -0.0021143 0.00343399 65
19614 286 H 18.736 28.1274 86.9808 0.000393428 0.0089663 -0.00786095 65
19615 287 H 19.4103 29.5614 87.7285 -0.0008819 0.00403572 0.00264987 65
19616 288 H 19.6813 26.8047 88.9994 0.00965191 0.000425311 -0.00475321 65
19617 289 H 18.4635 28.0196 89.5029 0.0017436 -0.00242904 0.000914269 65
19618 290 H 20.2325 29.5183 90.1798 0.00736864 -0.00116951 -0.0123999 65
19619 291 H 21.4742 28.2707 89.7795 -0.000411363 -0.00841676 0.0033868 65
19620 292 H 20.4742 26.6824 91.338 -0.0100325 -0.00704782 0.00182625 65
19621 293 H 19.1253 27.879 91.6405 0.00145159 0.0021372 0.00422223 65
19622 294 H 20.5666 29.4254 92.7438 0.0188607 0.00277369 -0.0019736 65
19623 295 H 22.0157 28.3473 92.4948 -0.00097683 -0.0148582 0.00559939 65
19624 296 H 20.8925 26.5717 93.7068 0.00270554 -0.000790743 0.0154369 65
19625 297 H 19.5377 27.6739 94.0687 -0.000857717 -0.00339815 -0.000814609 65
19626 298 H 20.8548 29.1039 95.3631 -0.00302024 0.00501118 0.000959577 65
19627 299 H 22.3984 28.3415 94.9968 -0.00213994 -0.00019781 -0.0120821 65
19628 300 H 21.304 26.2646 96.2891 0.0053271 0.00505599 -0.0276763 65
19629 301 H 20.0689 27.3343 96.7792 -0.00994398 -0.0130304 -0.00946053 65
19630 302 H 21.7349 27.6982 97.2322 -0.00165171 -0.00965464 0.00830096 65
19631 1 C 23.9288 42.2781 79.0205 0.000797265 0.00279594 0.000863655 66
19632 2 C 23.8786 42.1453 77.6304 -0.00075431 -0.00277162 0.00288148 66
19633 3 C 23.3608 40.9596 77.0356 -0.000465704 -0.00347003 0.0059996 66
19634 4 C 22.8643 39.9309 77.8537 0.00421732 -0.00109991 -0.000427019 66
19635 5 C 22.8018 40.121 79.2395 0.00108306 0.0037564 -0.000806789 66
19636 6 C 23.3709 41.2728 79.8458 0.00238237 -0.00307531 0.00272182 66
19637 7 C 18.3005 39.0058 79.1697 0.00287994 -0.00164438 0.00156688 66
19638 8 C 18.343 38.9426 77.7845 -0.00196951 0.000291995 0.00407581 66
19639 9 C 19.6162 38.8667 77.1363 -0.00027595 -0.00082498 0.0016941 66
19640 10 C 20.7484 38.8279 77.9317 0.00195029 -0.00215781 -0.00147402 66
19641 11 C 20.7024 38.9098 79.3545 0.000250214 0.00173329 -0.000205882 66
19642 12 C 19.4506 39.0451 79.956 0.00539564 0.004604 -0.00331612 66
19643 13 C 24.1265 35.6413 79.6332 -0.00157744 0.00115118 -0.00191068 66
19644 14 C 24.1753 35.5191 78.2519 0.00260107 -0.00135208 0.00120355 66
19645 15 C 23.4784 36.4533 77.4853 0.00224357 0.00500483 -0.000484255 66
19646 16 C 22.8119 37.513 78.1255 -0.00146035 -0.000279596 0.00227078 66
19647 17 C 22.1441 38.6928 77.3593 -0.000470257 -0.00172016 -0.000686822 66
19648 18 O 23.4951 36.6578 81.7322 -0.00166537 0.00135725 -0.000114377 66
19649 19 O 19.3754 39.1085 81.3406 -0.00142538 0.00413203 -0.00469886 66
19650 20 O 23.354 41.3228 81.2016 0.0046931 0.00169713 0.00132578 66
19651 21 C 23.4617 36.6692 80.3298 0.00196131 0.0014482 -0.00109817 66
19652 22 C 22.2227 38.5139 75.9337 0.00641052 0.000982819 -0.0044672 66
19653 23 C 22.0715 38.222 74.7718 -0.00290721 0.00130979 0.00186646 66
19654 24 C 21.7001 37.7436 73.4982 -0.000551788 0.00142858 0.00632595 66
19655 25 C 20.686 38.3863 72.8089 0.00134788 0.000913303 -0.000827395 66
19656 26 C 20.1687 37.83 71.6421 0.00370095 -0.000250683 -0.00135805 66
19657 27 C 20.7509 36.6856 71.0764 0.00432633 0.00180669 -0.00132299 66
19658 28 C 21.8043 36.0373 71.7526 0.00159077 -0.00265176 0.00312789 66
19659 29 C 22.2758 36.5681 72.9644 0.0017278 -0.00387454 -0.00315251 66
19660 30 C 20.3775 36.3404 69.7721 -0.000623902 0.000384121 -0.000475269 66
19661 31 C 20.1839 36.1341 68.6007 -0.003757 0.000350016 0.000771195 66
19662 32 C 18.0483 32.797 66.7155 0.00152353 0.00382253 0.000396666 66
19663 33 C 18.0721 32.7008 65.3309 -0.00184 -0.00084593 0.00222054 66
19664 34 C 18.6528 33.7396 64.5703 -0.00143515 0.000174914 0.000891391 66
19665 35 C 19.2247 34.8687 65.186 0.00128138 0.00207438 -0.00168558 66
19666 36 C 19.2581 34.8816 66.5967 -0.00179127 -0.00124842 0.00204284 66
19667 37 C 18.6542 33.8983 67.3859 -0.00131579 -0.0017921 0.0058108 66
19668 38 C 20.0473 36.0675 67.1473 -0.00115457 0.00195051 -0.00238686 66
19669 39 C 23.8354 36.2396 66.2609 -0.00414955 -0.00250541 -0.003044 66
19670 40 C 23.7574 36.0613 64.8619 -0.0009159 0.0031953 -0.000151233 66
19671 41 C 22.4881 35.8676 64.2715 0.00133362 -0.00183169 1.31888e-05 66
19672 42 C 21.3267 36.0194 65.0282 0.00417666 0.00191668 -0.000511397 66
19673 43 C 21.4475 36.0879 66.4207 0.00310467 -0.000817287 0.00178767 66
19674 44 C 22.7051 36.1847 67.0436 0.00230016 -0.00397367 -0.00658453 66
19675 45 C 18.2372 39.4845 66.5685 0.00117071 -0.00145326 -0.0021942 66
19676 46 C 18.2782 39.5015 65.1669 -0.00505905 0.00484444 0.000501154 66
19677 47 C 18.7479 38.4031 64.4297 0.00173479 -0.00365649 0.000610148 66
19678 48 C 19.2324 37.2874 65.1224 -7.06818e-05 -0.000557124 0.0018714 66
19679 49 C 19.8824 36.0361 64.5116 0.00189432 0.00713013 -0.00179455 66
19680 50 C 19.3003 37.307 66.5387 0.00051203 0.00379554 0.0032304 66
19681 51 C 18.7593 38.3787 67.2428 0.00323876 0.00126733 0.000462968 66
19682 52 O 22.4087 35.5957 62.9242 -0.0014005 -0.00423145 3.59569e-05 66
19683 53 O 18.7251 33.4917 63.2181 -0.00132926 0.000243874 0.00170893 66
19684 54 O 18.806 38.453 63.046 -5.97698e-06 -0.00443698 -0.000663458 66
19685 55 C 22.0806 38.9442 80.0011 -0.000819958 0.00161151 -0.0012964 66
19686 56 C 22.7735 37.6383 79.5417 0.00153639 0.00150032 -0.000919509 66
19687 57 C 21.9895 34.2471 62.5818 -0.00218403 0.00155899 0.00160439 66
19688 58 C 21.3796 34.1339 61.1829 0.00282453 0.00103418 0.000634981 66
19689 59 C 21.1261 35.3966 60.3416 -0.000278853 -0.00402493 0.00536888 66
19690 60 C 20.9403 34.9934 58.8959 0.00182194 -0.00386683 9.50671e-05 66
19691 61 C 20.4422 36.1325 57.9918 0.00150073 -0.00138834 -0.000918151 66
19692 62 C 20.0059 35.6601 56.5771 0.00170223 -0.00114108 -0.00096812 66
19693 63 C 21.0695 34.8442 55.8649 -0.000708868 0.000449205 -0.000885199 66
19694 64 C 20.7696 34.6141 54.3626 -0.0039158 0.00361285 -0.000190673 66
19695 65 C 20.9672 35.8605 53.5163 0.00139539 0.00499305 -0.00373681 66
19696 66 C 21.0079 35.5979 52.0115 -0.00120267 0.00294373 0.00470381 66
19697 67 C 19.6495 35.2919 51.3982 0.00406939 -0.00423835 0.00755606 66
19698 68 C 19.609 35.6113 49.9192 0.00436371 0.000321589 -0.00119772 66
19699 69 F 19.0887 38.4474 71.1499 0.00349181 0.00316896 -0.0011628 66
19700 70 C 18.1002 34.3434 62.3082 -0.00234265 0.00133242 -0.00184216 66
19701 71 C 17.7257 33.596 61.0165 -0.000440054 -0.00564534 0.00327397 66
19702 72 C 17.3827 34.6032 59.9242 0.00145433 1.63397e-05 0.00523621 66
19703 73 C 17.3531 34.043 58.4949 0.000881553 -0.00047039 0.00153468 66
19704 74 C 16.5182 32.7852 58.276 -0.0034268 -0.00440864 -0.000470059 66
19705 75 C 15.9415 32.7099 56.837 0.000976915 0.00167335 -0.00381563 66
19706 76 C 16.9128 32.7336 55.6261 0.00234549 -0.00131844 -0.00197069 66
19707 77 C 16.0875 33.0276 54.3143 0.00222072 0.00443029 -0.000949444 66
19708 78 C 16.9498 32.9508 53.0395 -0.0002651 0.00145135 -0.00179219 66
19709 79 C 16.0415 33.1374 51.8313 -0.00486122 -0.00403421 0.000429181 66
19710 80 C 16.729 32.9166 50.4561 -0.000211939 0.000806233 0.00115661 66
19711 81 C 15.7134 33.2079 49.343 -0.00449073 0.00181771 -0.000330326 66
19712 82 C 20.0726 38.8187 62.3962 -0.00190359 -0.00185092 -0.00021717 66
19713 83 C 20.0401 38.6962 60.8412 0.00469913 -0.0036055 0.00112497 66
19714 84 C 20.2184 40.0164 60.0743 0.0002317 -0.00497553 0.000419461 66
19715 85 C 20.9487 39.8467 58.6945 0.00169228 0.00115316 0.00363315 66
19716 86 C 19.9801 39.7745 57.4443 0.00198209 0.00161457 -0.00125487 66
19717 87 C 20.8284 39.3957 56.2118 0.00269866 0.0015682 0.00142876 66
19718 88 C 20.0841 39.0513 54.9336 0.0022106 -0.00108041 -0.00155476 66
19719 89 C 19.4826 40.1814 54.1273 0.00320503 -0.00643841 -0.00447382 66
19720 90 C 19.3552 39.8066 52.6206 -0.000214021 -0.00316455 0.0019532 66
19721 91 C 20.6995 39.6861 51.8864 -0.00235507 -0.00102113 0.00388596 66
19722 92 C 20.4721 39.5326 50.4183 0.00150901 0.00250062 -0.00395097 66
19723 93 C 21.7083 39.0221 49.666 -0.00118515 -0.00296263 -0.00386111 66
19724 94 C 18.1319 39.3967 82.047 0.00292836 0.00174161 -0.00105045 66
19725 95 C 18.3027 38.9412 83.4987 -0.00044279 -0.0027393 0.00128418 66
19726 96 C 17.1622 39.278 84.4474 0.000632193 0.00249257 0.00234483 66
19727 97 C 17.5494 39.0333 85.9582 -0.00292618 0.0017313 -0.00421876 66
19728 98 C 16.6852 39.7222 87.0254 0.0011593 -0.000880349 0.0036822 66
19729 99 C 17.3054 39.5721 88.4252 0.00708344 0.00080004 -0.00112839 66
19730 100 C 16.4381 40.2447 89.5026 -0.00156391 0.0046654 0.0013199 66
19731 101 C 16.7066 39.7428 90.9058 0.00503201 0.000936182 -0.00391714 66
19732 102 C 18.1245 40.1254 91.4845 0.00601592 0.00199165 0.00105206 66
19733 103 C 18.2788 39.5397 92.9037 0.0027959 0.00235294 -0.00249111 66
19734 104 C 17.5023 40.2908 93.9944 0.000615291 -0.00684068 0.00243202 66
19735 105 C 17.5872 39.5777 95.3613 0.000515427 -0.000903533 0.00574757 66
19736 106 C 23.4991 42.5447 81.8637 0.000364074 -0.00207596 -0.00540868 66
19737 107 C 23.6765 42.1777 83.3153 0.00572514 0.00151885 0.00109916 66
19738 108 C 23.8928 43.3157 84.3128 0.00165872 0.00550027 0.00243297 66
19739 109 C 24.2518 42.7773 85.7057 -0.00400451 -0.000520237 2.43709e-05 66
19740 110 C 24.2455 43.8509 86.7797 -0.000172187 0.000202268 0.00225163 66
19741 111 C 24.7437 43.2794 88.1568 0.000664842 0.00144441 -0.000213152 66
19742 112 C 24.427 44.2258 89.3542 -0.00214478 0.00171801 -0.00329052 66
19743 113 C 24.9049 43.5419 90.6589 -0.000127467 0.00125312 -0.000382726 66
19744 114 C 24.72 44.4356 91.9184 -0.00100924 0.000330259 -0.00376955 66
19745 115 C 25.3478 43.6921 93.1339 0.000481404 -0.00141774 0.00281943 66
19746 116 C 24.9164 44.4005 94.4211 -0.00377299 0.000764938 0.000100642 66
19747 117 C 25.4226 43.717 95.7487 0.00285786 0.00193083 -0.00109652 66
19748 118 C 24.255 35.5807 82.4003 -0.00112379 0.00111091 0.00727803 66
19749 119 C 24.1778 35.4382 84.0083 -0.00387462 -0.00344579 -0.00345591 66
19750 120 C 25.0136 34.2204 84.4954 0.00174263 -0.00380737 -5.0225e-05 66
19751 121 C 24.9139 33.7274 85.9435 -0.00135517 0.00226975 -0.000433422 66
19752 122 C 24.6877 34.748 87.0593 -0.000777765 0.00368253 0.0023744 66
19753 123 C 25.0932 34.0653 88.4414 -0.00489554 -0.00234248 0.00111506 66
19754 124 C 24.6896 34.8647 89.6858 -0.0012909 0.000552481 0.00038724 66
19755 125 C 25.2821 34.2077 90.9715 -0.00352301 8.53099e-06 -0.00136113 66
19756 126 C 24.7177 34.844 92.2615 0.00136366 -0.000384132 -0.00417812 66
19757 127 C 25.1964 34.0573 93.5218 0.000353747 0.00043663 -0.00107976 66
19758 128 C 24.4691 34.4351 94.8366 -0.00260427 -0.00346525 0.00332221 66
19759 129 C 25.043 35.6725 95.5328 0.00385161 -0.00164031 -0.00225705 66
19760 130 F 20.0774 39.5098 73.3329 0.000928603 -0.00118951 0.00110667 66
19761 131 H 24.4458 43.1316 79.4491 -6.45061e-05 0.00218105 0.00312873 66
19762 132 H 24.277 42.9395 77.006 -0.0128233 0.00110684 0.000110626 66
19763 133 H 23.3271 40.9036 75.9516 0.00708331 0.00187295 0.00548318 66
19764 134 H 17.3131 39.0557 79.6192 0.00549269 -0.00744205 0.0079363 66
19765 135 H 17.4402 38.9038 77.1822 0.0082806 0.00675153 -0.0117521 66
19766 136 H 19.6624 38.7101 76.0627 -0.00773241 0.0168017 -0.00117477 66
19767 137 H 24.7081 34.8891 80.1578 -0.00550383 0.00838333 0.0128077 66
19768 138 H 24.7215 34.734 77.7373 -0.0141403 -0.00709222 -0.00784799 66
19769 139 H 23.5907 36.3794 76.4077 0.00737305 -0.0012188 0.000465591 66
19770 140 H 22.3217 35.1799 71.3323 0.00631391 -0.00356987 0.0107867 66
19771 141 H 23.122 36.1345 73.4891 0.00222418 -0.00583567 -0.00558249 66
19772 142 H 17.5613 32.0184 67.2951 -0.00337677 0.0135037 0.00929 66
19773 143 H 17.6639 31.824 64.8368 -0.0108553 0.0057012 -0.00193252 66
19774 144 H 18.6664 33.9131 68.4718 -0.00908749 -0.0266053 0.00627131 66
19775 145 H 24.7926 36.454 66.7271 -0.00747054 0.0029453 0.00127326 66
19776 146 H 24.6276 36.0331 64.2128 0.00385541 0.00404925 0.0062341 66
19777 147 H 22.843 36.25 68.1188 -0.00772429 -0.0212312 -0.00425657 66
19778 148 H 17.8318 40.284 67.1816 0.0091618 -0.00259074 0.00460134 66
19779 149 H 17.955 40.3996 64.6488 -0.00319826 0.00390858 -0.00228817 66
19780 150 H 19.9226 36.0226 63.4155 0.00339882 -0.0190579 -0.00141706 66
19781 151 H 18.6779 38.4017 68.3255 -0.0219943 -0.0108253 -0.00114469 66
19782 152 H 22.082 39.1039 81.0864 0.0161985 0.00334433 -0.0015539 66
19783 153 H 22.782 33.5038 62.733 0.00477026 0.00822309 -0.00221583 66
19784 154 H 21.2173 33.9275 63.2925 -0.00653247 0.00959658 0.000483472 66
19785 155 H 20.4583 33.54 61.2265 0.00395641 -0.000206298 0.00741384 66
19786 156 H 21.9955 33.4958 60.5372 -0.00136299 -0.00181723 -0.000553814 66
19787 157 H 21.9697 36.0866 60.4664 -0.00559358 0.00336347 0.000437343 66
19788 158 H 20.2266 35.9199 60.6889 0.00234371 0.0004743 0.00538289 66
19789 159 H 20.2176 34.1701 58.838 0.00150711 -0.00416617 0.00849323 66
19790 160 H 21.8601 34.5134 58.5396 0.00275382 0.00791449 -0.0132549 66
19791 161 H 21.2221 36.897 57.8875 -0.00280025 0.00237468 -0.00556144 66
19792 162 H 19.5463 36.5896 58.4298 0.00251386 -0.0067634 0.00675098 66
19793 163 H 19.8408 36.5315 55.9315 0.00578885 0.000522347 0.000229757 66
19794 164 H 19.0603 35.1072 56.6371 0.00188585 -0.000885235 0.00438031 66
19795 165 H 21.2023 33.8731 56.3576 -0.0090811 -0.002932 -0.00531872 66
19796 166 H 22.0413 35.3342 56.0027 0.000884221 -0.00350943 0.00200729 66
19797 167 H 19.7721 34.1701 54.2563 -0.00643087 0.00786587 0.00564584 66
19798 168 H 21.4787 33.8833 53.9547 -0.00637084 0.00991016 -0.0157915 66
19799 169 H 21.8682 36.388 53.8528 0.00361041 -0.00503113 0.00605095 66
19800 170 H 20.1678 36.598 53.6593 -0.00650392 -0.00586338 0.00781034 66
19801 171 H 21.6781 34.7754 51.7326 -0.000367236 0.00636729 -0.00341172 66
19802 172 H 21.4124 36.5151 51.566 -0.000430051 -0.000741427 -0.00217202 66
19803 173 H 18.9437 35.9588 51.9086 0.0179539 0.00566041 0.0138863 66
19804 174 H 19.3487 34.2493 51.5597 0.0204503 -0.0106775 -0.00351127 66
19805 175 H 18.6346 35.2691 49.5494 0.0019791 0.00454691 0.00119733 66
19806 176 H 20.3562 35.0547 49.3401 -0.00544979 -0.00779492 -0.0060831 66
19807 177 H 19.7319 36.6711 49.6639 -0.0126748 0.00171766 -0.00361316 66
19808 178 H 17.2574 34.8706 62.772 0.00863625 0.00609802 0.0127024 66
19809 179 H 18.7995 35.1194 61.9729 0.000925827 0.00540096 0.0144998 66
19810 180 H 18.5635 32.9939 60.6434 0.0126028 0.0024408 0.0195159 66
19811 181 H 16.8975 32.9064 61.2215 -0.00529963 -0.00256991 -0.00605565 66
19812 182 H 16.4365 35.104 60.1635 0.00715046 0.00540203 0.016516 66
19813 183 H 18.118 35.4173 59.9153 0.00556497 -0.00373604 0.00164373 66
19814 184 H 17.0064 34.8544 57.8431 -0.0105695 -0.00399984 0.00323966 66
19815 185 H 18.3682 33.7999 58.1573 -0.0013117 -0.0010258 -0.00465891 66
19816 186 H 17.1377 31.8892 58.4058 0.0122134 0.0069896 0.0034171 66
19817 187 H 15.6807 32.7645 58.9843 -0.00179017 -0.0145843 0.00116121 66
19818 188 H 15.3269 31.8091 56.7171 0.00348377 0.000466976 -0.00764886 66
19819 189 H 15.2503 33.5428 56.6583 0.00431798 0.00483863 -0.00196031 66
19820 190 H 17.7326 33.459 55.6971 -0.00170863 0.00316065 -0.00101176 66
19821 191 H 17.3703 31.7417 55.5254 -0.00635327 -0.00613596 0.00594591 66
19822 192 H 15.2599 32.3091 54.2675 0.00369129 0.0032872 -0.00912099 66
19823 193 H 15.5674 33.9844 54.446 -0.0150439 -0.00559931 0.00414201 66
19824 194 H 17.6883 33.762 53.034 -0.0209811 0.0203666 -0.00157988 66
19825 195 H 17.4255 31.9666 52.9476 -0.00713853 -0.00117201 -0.0094746 66
19826 196 H 15.1417 32.5109 51.8664 0.00279572 -0.0154725 -0.00734775 66
19827 197 H 15.7199 34.1862 51.8406 0.00446024 -0.00120169 0.00397751 66
19828 198 H 17.5816 33.6044 50.3964 9.34344e-05 0.000350757 0.000285756 66
19829 199 H 17.1442 31.9075 50.3434 -0.00261215 -0.00113298 0.00972715 66
19830 200 H 16.1968 33.2361 48.3587 0.00781431 0.00121664 0.00569689 66
19831 201 H 14.9798 32.3947 49.2803 -0.00821967 0.00439953 0.00991587 66
19832 202 H 15.2006 34.1699 49.4663 0.00165401 0.00529248 -0.00188041 66
19833 203 H 20.3798 39.8161 62.7341 0.0142851 -0.000879862 -0.0178711 66
19834 204 H 20.8478 38.1391 62.7711 -0.00260177 -0.000502418 0.00368396 66
19835 205 H 20.8884 38.0608 60.5582 -0.0023333 -0.0175759 0.0114703 66
19836 206 H 19.1221 38.2103 60.4883 0.00277046 0.0102468 -0.0129939 66
19837 207 H 19.2485 40.5206 59.9826 0.00377769 0.00232042 0.00307272 66
19838 208 H 20.8748 40.6501 60.6834 -0.011952 -0.000201899 0.00855752 66
19839 209 H 21.5979 40.7225 58.5718 0.00341148 0.000321281 0.00680917 66
19840 210 H 21.5676 38.9435 58.7613 -0.00290995 -0.00194998 0.00438849 66
19841 211 H 19.1996 39.0155 57.5794 -0.000459724 0.00626216 0.0106988 66
19842 212 H 19.4907 40.745 57.296 -0.00351272 -0.000253292 0.00464972 66
19843 213 H 21.5136 40.2239 55.9925 0.00841795 -0.000501506 0.0114819 66
19844 214 H 21.4734 38.5523 56.4877 -0.00487125 -0.00553449 -0.00265525 66
19845 215 H 20.8284 38.5667 54.2898 0.00225518 -0.00161963 -0.00109673 66
19846 216 H 19.3085 38.2932 55.0984 -0.000894559 0.00143461 -0.00461815 66
19847 217 H 18.4522 40.3533 54.4622 0.00261203 -0.00166613 -0.00873068 66
19848 218 H 20.1265 41.0649 54.2174 0.00486153 -0.00882847 0.00701154 66
19849 219 H 18.7572 38.8897 52.549 0.000559316 -0.00326796 -0.0030761 66
19850 220 H 18.8225 40.6272 52.1244 -0.00469115 -0.00598293 0.00212055 66
19851 221 H 21.2806 40.6055 52.0296 0.00905611 -0.0117895 0.0265719 66
19852 222 H 21.2997 38.828 52.2132 -0.00810976 -0.00478364 0.00456672 66
19853 223 H 19.6661 38.8001 50.2873 -0.00543569 0.00827482 0.00646532 66
19854 224 H 20.112 40.471 49.9789 0.00661482 0.00588625 -0.000894226 66
19855 225 H 21.4503 38.8055 48.622 -0.000401352 -0.0126987 -0.0020511 66
19856 226 H 22.5451 39.7182 49.8023 -0.00401619 0.00314062 -0.0179068 66
19857 227 H 21.9934 38.0753 50.1412 0.00162775 -0.000660603 -0.000959189 66
19858 228 H 17.9305 40.475 82.0468 0.00410482 0.00197284 0.0145631 66
19859 229 H 17.2528 38.9147 81.6018 -0.0004479 0.0114767 -0.00496705 66
19860 230 H 18.3871 37.8476 83.514 0.00461106 -0.00241404 -0.00347544 66
19861 231 H 19.2584 39.3393 83.8613 0.000108659 -0.00300448 0.000128891 66
19862 232 H 17.0338 40.3662 84.3957 0.00442625 0.00249941 -0.00663992 66
19863 233 H 16.2406 38.8194 84.0683 0.0128822 -0.0081088 -0.0147282 66
19864 234 H 17.4707 37.953 86.1318 0.0096795 0.000983977 -0.00326394 66
19865 235 H 18.5879 39.3128 86.1749 -0.0059802 0.00633478 0.00452617 66
19866 236 H 16.5971 40.7956 86.8171 -0.0108151 -0.00370154 -0.00568138 66
19867 237 H 15.7055 39.2287 87.0234 0.00501824 -0.00853787 -0.00223736 66
19868 238 H 17.4667 38.5043 88.6183 0.00248955 0.00164918 0.00732924 66
19869 239 H 18.3136 40.0038 88.4026 0.00236279 0.0114717 -0.00771703 66
19870 240 H 16.6091 41.3278 89.468 -0.00637217 0.00582216 0.013689 66
19871 241 H 15.3703 40.1005 89.2966 -0.000736772 -0.0125959 0.00915652 66
19872 242 H 15.8814 40.1044 91.5316 0.00781624 -0.00715164 0.00438652 66
19873 243 H 16.7172 38.6491 90.8213 0.00256634 0.00126088 -0.00841098 66
19874 244 H 18.9171 39.6826 90.8688 0.00601081 0.0142163 -0.00773666 66
19875 245 H 18.2797 41.211 91.4567 0.00814793 0.00199791 0.0135091 66
19876 246 H 17.9122 38.5079 92.8369 0.000254638 0.00258817 0.00796893 66
19877 247 H 19.3178 39.4842 93.2514 0.000637616 0.0078377 0.00486448 66
19878 248 H 17.9872 41.2718 94.0712 -0.00968449 -0.000113195 -0.0187285 66
19879 249 H 16.4529 40.3596 93.6821 0.00220776 -0.00596063 -0.00273492 66
19880 250 H 18.6367 39.5388 95.6781 0.00281467 0.00213003 -0.00146051 66
19881 251 H 16.9983 40.0676 96.1465 0.00137911 0.00812134 0.000755156 66
19882 252 H 17.1817 38.5698 95.2094 -0.00244869 -1.35002e-06 0.00766995 66
19883 253 H 24.4126 43.0307 81.4991 -0.0042523 0.00457266 -0.00810417 66
19884 254 H 22.6276 43.1919 81.7056 0.00638326 0.00640238 -0.00390596 66
19885 255 H 22.861 41.5177 83.6359 0.0111753 -0.00801677 -0.00464279 66
19886 256 H 24.6239 41.6272 83.3684 0.00867193 0.00732583 0.00903433 66
19887 257 H 24.653 44.0035 83.9223 0.000337418 0.00176279 -0.00675539 66
19888 258 H 22.9157 43.8111 84.3704 0.00149825 0.00484764 0.00533538 66
19889 259 H 23.4954 42.0231 85.9557 0.00675757 -0.0092101 0.00629982 66
19890 260 H 25.2018 42.2288 85.7111 0.00490047 0.0149385 0.00313461 66
19891 261 H 24.9715 44.6223 86.4945 -0.016916 0.0100351 -0.0136012 66
19892 262 H 23.2429 44.2923 86.8376 -0.00471815 -0.00888138 -0.00706928 66
19893 263 H 24.1773 42.3517 88.3051 -8.68353e-05 0.00278875 0.00529597 66
19894 264 H 25.8075 43.0139 88.123 0.000813414 0.00277706 -0.00593791 66
19895 265 H 24.9093 45.2045 89.2402 0.0014656 0.000980353 0.00559846 66
19896 266 H 23.3387 44.3413 89.4289 -0.00236406 0.000243457 -0.0041775 66
19897 267 H 24.3741 42.5864 90.7516 -0.00597303 0.00344183 -0.0112034 66
19898 268 H 25.9688 43.276 90.628 0.00105852 0.0074089 -0.0117009 66
19899 269 H 25.1729 45.4327 91.8542 0.00781345 -0.0031374 0.00431115 66
19900 270 H 23.6583 44.5568 92.1667 0.000270459 -0.00667272 0.0052389 66
19901 271 H 24.9945 42.6536 93.125 0.000884551 -0.00138788 -0.0203556 66
19902 272 H 26.4403 43.7326 93.0428 0.000602715 0.00251814 0.00596404 66
19903 273 H 25.2357 45.4499 94.4411 0.000850088 -0.000628791 -0.000807633 66
19904 274 H 23.8202 44.4047 94.4614 -0.0038638 -0.0014402 -0.00222491 66
19905 275 H 24.899 44.1894 96.5889 0.00271087 0.00102324 -0.000679606 66
19906 276 H 25.2137 42.6401 95.745 -0.00133813 0.00271235 0.0100301 66
19907 277 H 26.4891 43.9374 95.8805 0.00437188 -0.0116723 0.00915607 66
19908 278 H 23.938 34.5919 82.0464 0.00298778 -8.18977e-05 0.00691535 66
19909 279 H 25.3077 35.6974 82.1146 -0.00353043 -0.0126606 -0.00721978 66
19910 280 H 23.124 35.2564 84.2531 -5.63123e-05 0.00225748 0.0170754 66
19911 281 H 24.4846 36.3887 84.462 0.00170093 -0.00171193 -0.0108206 66
19912 282 H 26.0664 34.3013 84.198 0.00193324 0.0060527 0.0033419 66
19913 283 H 24.7164 33.3471 83.9017 0.000930122 -0.00123216 -0.00343198 66
19914 284 H 25.8092 33.1289 86.1526 -0.00212289 0.00363069 0.00673944 66
19915 285 H 24.0808 33.0159 85.9979 -0.0022789 0.00314421 -0.00308844 66
19916 286 H 23.6234 35.0092 87.1088 -0.00350601 -0.00776817 0.00460205 66
19917 287 H 25.3235 35.6208 86.8656 0.00600147 -0.000261846 0.00677288 66
19918 288 H 26.1786 33.9062 88.436 -0.00482921 -0.00141291 -0.0155325 66
19919 289 H 24.6515 33.0641 88.5173 -0.0116602 0.000706436 0.00192869 66
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20450 216 H 29.5071 40.2815 55.4076 -0.00736404 0.0133248 0.00839547 68
20451 217 H 28.3184 38.2797 54.3103 0.00272472 0.00139412 0.00281072 68
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20453 219 H 28.6759 40.8194 52.4992 0.00216496 0.0060284 0.0116972 68
20454 220 H 29.9121 39.684 52.9647 0.000226435 0.00450825 0.00767828 68
20455 221 H 28.8046 37.8747 51.659 -0.00854709 -0.00331523 -0.000905359 68
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20482 248 H 24.1461 40.86 94.5171 0.0115715 -0.00293703 0.00331744 68
20483 249 H 22.8103 39.6725 94.4636 -0.00101478 -0.0111722 0.00111738 68
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20485 251 H 23.8647 39.8955 96.7337 -0.00140997 -0.00160239 0.000224891 68
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20492 258 H 31.7237 44.5215 84.8845 0.00116963 0.0067935 -0.00540959 68
20493 259 H 33.2588 42.4135 86.3633 0.000629204 0.00283402 0.0139923 68
20494 260 H 33.8752 44.0354 86.5771 0.00629968 0.00717521 -0.00915837 68
20495 261 H 31.5987 44.7707 87.2673 0.0100206 0.00399028 0.010518 68
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20497 263 H 32.5691 42.3217 88.8859 0.00176635 0.000776973 0.0112354 68
20498 264 H 33.2516 43.9207 89.0806 0.00535135 -0.000982867 -0.0161685 68
20499 265 H 31.4489 44.8116 90.209 -0.000718986 -0.00156618 0.00950403 68
20500 266 H 30.3498 43.7727 89.317 -0.00080988 0.00198148 0.00105013 68
20501 267 H 30.3306 43.0891 91.6457 -0.00581105 -0.00499841 -0.00222069 68
20502 268 H 30.9942 41.8156 90.749 0.0142422 -0.0143248 0.0268184 68
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20504 270 H 33.3493 42.7997 91.3798 0.00367578 0.0135315 0.00319471 68
20505 271 H 32.6558 44.9761 92.287 -0.000628788 0.00190474 -0.00687414 68
20506 272 H 31.4844 44.2424 93.3666 0.0037313 -0.00471331 0.00171142 68
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20512 278 H 31.3615 34.7024 82.6952 -0.00222539 0.0054785 0.00408673 68
20513 279 H 32.978 35.4523 82.4205 0.0046924 0.000857129 0.00233367 68
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20515 281 H 32.9839 36.5398 84.5103 -0.00772561 0.00719559 -0.00264831 68
20516 282 H 33.7708 34.4796 84.9602 0.00293073 -0.00287215 0.00387692 68
20517 283 H 32.3133 33.6131 84.4925 -0.0107924 0.00473749 -0.001643 68
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20519 285 H 31.2272 34.6564 86.6666 -0.00370391 -0.00659956 -0.00822071 68
20520 286 H 32.5907 36.1256 87.8335 0.00930054 0.0098967 -0.00321475 68
20521 287 H 34.0454 35.5052 87.0338 0.00384982 -0.00909744 -0.00128028 68
20522 288 H 34.5195 34.4306 89.0553 0.00437321 0.00569097 -0.0274953 68
20523 289 H 33.0782 33.3876 88.8096 -0.0134441 0.00658404 0.012726 68
20524 290 H 31.5785 34.8244 90.02 -0.00108374 0.00425603 -0.0040432 68
20525 291 H 32.8576 36.0329 90.2339 -0.00135767 -0.00283969 -0.00300687 68
20526 292 H 34.1388 34.2956 91.6429 0.00209578 -0.016142 -0.0193751 68
20527 293 H 32.822 33.1422 91.3203 0.0181205 -0.00269763 -0.00097988 68
20528 294 H 31.245 34.7035 92.4172 0.00140056 -0.00885678 9.7737e-06 68
20529 295 H 32.5172 35.8287 92.7762 -0.0099301 -0.000713264 8.8022e-05 68
20530 296 H 33.7532 33.9238 94.0219 -0.00122103 0.00198976 -0.00268583 68
20531 297 H 32.2574 32.9988 93.9381 -0.00558532 0.00372853 -0.00411017 68
20532 298 H 31.0698 34.7682 95.1438 -0.00267126 0.0025472 0.0110493 68
20533 299 H 32.5987 35.6676 95.3352 0.00577802 -0.00420896 0.00851005 68
20534 300 H 33.5765 33.5463 96.5605 0.00114811 0.00318447 -0.00080115 68
20535 301 H 31.9948 32.8415 96.5074 -0.00562145 0.00553518 0.00147566 68
20536 302 H 32.1674 34.3217 97.3375 -0.00337167 0.0024121 -0.00332168 68
20537 1 C 35.6492 35.5235 79.7451 -0.000899158 -0.000797693 -0.00378784 69
20538 2 C 35.5881 35.3056 78.3692 -0.00109737 0.000584749 0.00210925 69
20539 3 C 34.9119 34.2109 77.8762 0.00181555 -0.000468551 -0.00434341 69
20540 4 C 34.3387 33.336 78.7635 -0.000560305 0.00161913 0.00207808 69
20541 5 C 34.4128 33.4796 80.1849 -0.000769832 -0.00437984 0.00179106 69
20542 6 C 35.0975 34.6144 80.6646 0.000216883 0.000840022 -0.0014585 69
20543 7 C 29.8764 32.0871 80.415 0.000274312 -0.00217801 0.00327101 69
20544 8 C 29.8865 32.0577 79.0001 -0.00102593 0.000134882 0.0051712 69
20545 9 C 31.0614 32.0988 78.2894 0.00116923 -0.000107809 -0.00258947 69
20546 10 C 32.2754 32.0535 79.0118 -0.00274175 -0.000413392 -0.000158729 69
20547 11 C 32.3317 32.1778 80.431 0.00064703 6.18267e-05 -0.000717983 69
20548 12 C 31.0775 32.2358 81.1251 -0.00340792 -0.00289044 0.00402169 69
20549 13 C 35.6492 28.822 80.2964 -0.000957051 0.00128029 -0.00239779 69
20550 14 C 35.6753 28.8589 78.9054 -0.000678134 0.00257733 -5.63113e-06 69
20551 15 C 35.0802 29.9035 78.2338 0.00150569 0.00282041 0.00168747 69
20552 16 C 34.4415 30.9372 78.952 -0.00354049 -0.00135209 0.00399669 69
20553 17 C 33.6517 32.0778 78.2918 0.00225357 -0.00144158 -0.00408421 69
20554 18 O 35.1715 29.794 82.4317 0.00120157 -0.00115954 0.00163065 69
20555 19 O 31.0093 32.4393 82.5432 0.000800059 -0.00348009 0.000184346 69
20556 20 O 35.2812 34.7929 82.0434 -0.00289088 0.00288336 0.00260043 69
20557 21 C 35.1119 29.8812 81.0561 0.00157089 0.00317882 0.00180165 69
20558 22 C 33.5978 31.872 76.8091 0.00172243 -0.000579635 -0.00423841 69
20559 23 C 33.448 31.5674 75.6611 0.0011559 3.91249e-05 -0.000826576 69
20560 24 C 33.2281 31.1914 74.3262 -0.00393408 -0.000401656 -0.00431186 69
20561 25 C 32.9916 29.8254 74.0566 0.00321363 0.00477232 0.00107099 69
20562 26 C 32.6624 29.3894 72.7776 0.00352232 0.00269176 -0.00203943 69
20563 27 C 32.4383 30.3126 71.7185 -0.00523038 -0.00510544 -0.00178041 69
20564 28 C 32.6958 31.6906 71.9908 -0.00457495 0.00078012 -0.00876097 69
20565 29 C 33.1285 32.1132 73.2689 -0.00380468 -0.0044829 0.00113432 69
20566 30 C 32.073 29.9253 70.3823 0.00131882 -0.00178711 0.000202604 69
20567 31 C 31.9306 29.6964 69.1956 -0.00172709 0.000545344 -0.000332226 69
20568 32 C 29.8348 26.2549 67.3078 0.000899581 0.00352629 0.00211807 69
20569 33 C 29.9078 26.1439 65.9273 0.00132541 -0.00639968 -0.00376845 69
20570 34 C 30.5171 27.1235 65.1511 -0.00472674 -0.00240272 0.00147048 69
20571 35 C 31.1326 28.1954 65.8013 0.000194693 0.000926794 -0.000499612 69
20572 36 C 31.0796 28.3223 67.2143 -0.00203039 0.00229938 -0.00361106 69
20573 37 C 30.4243 27.3425 67.9699 0.00164404 0.0024644 0.00126531 69
20574 38 C 31.8734 29.5586 67.7595 -0.00070838 0.000208169 0.00300459 69
20575 39 C 35.7096 29.5434 67.144 -0.00154139 -0.000927438 -0.00109877 69
20576 40 C 35.7166 29.3861 65.741 -0.00347327 -0.00189058 -0.00289173 69
20577 41 C 34.4915 29.2617 65.0547 -0.00212263 0.00468114 -0.00400371 69
20578 42 C 33.3054 29.3173 65.7763 0.000528904 0.00078133 0.00031518 69
20579 43 C 33.2864 29.5104 67.1717 0.00208015 -0.00195326 0.00494899 69
20580 44 C 34.5222 29.6249 67.8661 0.00216225 -0.00390348 -0.000919777 69
20581 45 C 30.03 32.8426 66.752 -0.0021508 -0.00222109 0.00343625 69
20582 46 C 30.065 32.6907 65.3616 0.00446583 0.00437648 0.000587815 69
20583 47 C 30.7427 31.5992 64.765 0.000136512 0.00252088 0.00184169 69
20584 48 C 31.3006 30.6292 65.6145 0.00031892 0.00308167 0.00137398 69
20585 49 C 31.9313 29.3096 65.1097 -0.00209562 -0.00145854 -0.00513249 69
20586 50 C 31.2405 30.7604 67.0188 0.000179613 0.00169552 0.0036039 69
20587 51 C 30.5984 31.8832 67.6057 0.00110559 -0.000972853 -0.0009612 69
20588 52 O 34.5199 29.2725 63.6514 -0.0049467 0.00303226 0.00396345 69
20589 53 O 30.5563 27.0315 63.7586 -0.00130254 0.000936386 -0.00236061 69
20590 54 O 30.6398 31.3521 63.4157 -0.00171256 -0.00274395 0.00305404 69
20591 55 C 33.777 32.2796 80.9449 0.000482232 0.00276101 -0.00138119 69
20592 56 C 34.4721 30.9829 80.3797 -0.00113877 0.000236851 -0.00196249 69
20593 57 C 34.4491 30.6059 63.0818 -0.00437461 0.00033814 0.000193883 69
20594 58 C 34.5276 30.5715 61.5814 0.000639917 -0.000815984 -0.00029759 69
20595 59 C 33.1691 30.1157 60.9906 0.00167017 0.000108003 0.00178975 69
20596 60 C 32.9548 30.4921 59.5202 0.000791987 0.001755 -0.00105352 69
20597 61 C 32.9712 29.278 58.5388 0.00102329 0.00372099 -0.00092102 69
20598 62 C 32.7764 29.7722 57.1398 0.000859671 0.00452594 -0.000524184 69
20599 63 C 32.675 28.6626 56.085 -0.000127893 -0.000423259 -0.000732079 69
20600 64 C 32.7967 29.2046 54.6633 -0.000135297 -0.000944972 -0.00086745 69
20601 65 C 32.3109 28.2044 53.5797 -0.00181661 -0.00171367 0.00248424 69
20602 66 C 32.3532 28.8994 52.205 -0.000752529 -0.00127418 -0.00200752 69
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21205 65 C 39.6592 27.992 52.8524 -0.00110473 -0.000702641 -0.00287252 71
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21267 127 C 44.4867 27.8142 93.8461 0.00407115 9.14237e-05 0.0014363 71
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21444 2 C 47.7704 42.0569 78.0623 -0.000979525 0.00169708 0.00126022 72
21445 3 C 47.2026 40.9271 77.4185 0.000295196 -0.000172746 0.00177333 72
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21448 6 C 46.9455 41.3187 80.2545 -0.00147028 0.00139776 -0.00313806 72
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21493 51 C 42.351 38.4956 67.703 -0.00125217 0.00189444 0.00192583 72
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21502 60 C 44.0715 35.8227 58.5846 -0.00384963 -0.00155665 -0.00040931 72
21503 61 C 44.2457 34.9914 57.3198 0.00228143 -0.0013734 -0.00304538 72
21504 62 C 43.8732 35.7551 56.0299 -0.00160602 -0.000819223 -0.00386129 72
21505 63 C 44.1496 34.906 54.7893 -0.00254016 -3.42493e-05 0.000250119 72
21506 64 C 43.8774 35.5404 53.4148 2.10327e-05 -0.00215438 0.00130097 72
21507 65 C 44.048 34.5105 52.3276 0.00120861 -0.00196907 -0.000861029 72
21508 66 C 44.25 35.1635 50.9446 0.00208225 -0.000301371 0.00217018 72
21509 67 C 43.0508 35.9774 50.4475 -0.000652435 -0.000573042 0.000849546 72
21510 68 C 43.2429 36.3074 48.9456 -0.00249875 0.00200968 0.0005313 72
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21515 73 C 41.3443 32.8093 58.9978 0.000906 0.00380934 0.000601979 72
21516 74 C 40.8752 32.4018 57.525 -0.00172523 -0.000454604 0.00289153 72
21517 75 C 40.7315 33.6049 56.5728 -0.00100141 0.000791307 0.0014571 72
21518 76 C 41.0357 33.2677 55.0914 -0.00241402 -0.00287648 -0.000623337 72
21519 77 C 39.9053 32.4899 54.3912 0.000662099 -0.00155666 -0.000737561 72
21520 78 C 40.2543 32.1097 52.921 0.00112013 -0.00200673 0.000454784 72
21521 79 C 40.2591 33.2856 51.9125 -0.0009035 0.00124459 0.00363162 72
21522 80 C 40.6661 32.9207 50.469 0.000376095 0.0022775 -0.00432529 72
21523 81 C 39.5959 32.1756 49.7158 -0.00142051 -0.00367612 -0.000111025 72
21524 82 C 43.3087 39.6143 63.043 -0.000419404 0.000990714 -0.00155957 72
21525 83 C 43.2614 39.5855 61.5024 0.00126792 0.00112786 -0.00308862 72
21526 84 C 44.033 40.682 60.7236 0.00168107 0.00477182 -0.00049449 72
21527 85 C 44.4932 40.0913 59.3563 -0.00191757 0.00527481 6.49591e-05 72
21528 86 C 43.5507 40.2953 58.2058 -0.00254471 0.00523074 -0.00175379 72
21529 87 C 44.1776 39.8208 56.8968 0.000926516 -0.00488246 -0.002873 72
21530 88 C 43.3845 40.1337 55.596 -0.000269046 0.000194453 3.08404e-05 72
21531 89 C 44.071 39.499 54.4048 -0.000355791 -0.00138616 -0.00279504 72
21532 90 C 43.3163 39.8465 53.0942 0.00167047 -0.000201032 -0.00184339 72
21533 91 C 44.271 39.5213 51.9138 0.00144588 0.00134455 0.00219387 72
21534 92 C 43.664 39.8896 50.5295 -0.00174202 -0.000320396 0.00426639 72
21535 93 C 44.6812 39.6452 49.4394 0.00447091 0.00449551 -0.00484915 72
21536 94 C 41.4697 38.7726 82.0073 0.00108161 -8.31826e-05 0.00184587 72
21537 95 C 41.4327 39.1699 83.4818 -0.00223103 -0.00404672 -9.83305e-05 72
21538 96 C 40.0281 38.9461 84.1021 -0.00816542 -0.00163602 -0.00264416 72
21539 97 C 39.9543 39.3878 85.5777 0.00101792 -5.97389e-05 0.000475633 72
21540 98 C 40.821 38.6132 86.6259 -0.00321977 0.000223052 1.70801e-05 72
21541 99 C 40.5469 39.2296 88.0092 -0.00249183 0.00513953 -0.00489512 72
21542 100 C 40.8997 38.4486 89.2902 -0.00230281 0.000277512 0.00199795 72
21543 101 C 40.306 39.1128 90.5347 0.000834172 -0.00194012 -0.00376867 72
21544 102 C 40.6901 38.5059 91.8784 -0.00171953 0.000132464 -0.000190352 72
21545 103 C 39.869 39.0448 93.0337 -0.00272971 -0.00166457 0.000847104 72
21546 104 C 40.3041 38.5377 94.4194 9.18255e-05 -0.00176518 -0.00138891 72
21547 105 C 39.2995 38.9178 95.5125 -0.00361402 0.0033751 -0.00181429 72
21548 106 C 47.8316 42.2613 82.3974 -1.73234e-05 -7.01251e-05 -0.00314023 72
21549 107 C 47.2833 43.1649 83.5157 -0.000352571 0.0019209 0.00169246 72
21550 108 C 47.0438 42.6254 84.9368 0.00473747 0.00164129 -0.000609577 72
21551 109 C 48.0809 43.0637 85.9966 0.00153652 -0.000526211 -0.00296279 72
21552 110 C 47.4773 43.235 87.3762 0.00403876 -0.000912013 0.0062164 72
21553 111 C 48.391 42.8543 88.538 0.00602428 0.00136798 2.59424e-05 72
21554 112 C 48.0385 43.5211 89.8972 0.0030372 0.00621573 0.00156266 72
21555 113 C 48.2482 42.5922 91.1002 0.000212176 -0.0027459 0.000362121 72
21556 114 C 48.0848 43.2904 92.4494 -0.00161083 0.00163478 -6.12516e-05 72
21557 115 C 48.113 42.3375 93.6872 -0.00284381 -0.00703299 -0.000479076 72
21558 116 C 47.9517 43.0467 95.0536 0.00485938 -0.00106096 0.00140377 72
21559 117 C 49.095 43.9512 95.4627 0.00177434 0.00685061 0.00324458 72
21560 118 C 46.5398 36.0722 83.2041 0.00212721 0.000451376 0.00377346 72
21561 119 C 47.718 35.2921 83.8506 -0.00501173 0.00214978 0.00170845 72
21562 120 C 47.5509 34.9386 85.3879 -0.000345577 0.000205757 0.00177849 72
21563 121 C 48.5971 33.9225 85.9145 0.00268626 0.000591007 -0.00209076 72
21564 122 C 48.2373 33.3308 87.2907 0.000738954 0.000774051 0.000277637 72
21565 123 C 48.2969 34.2886 88.4921 -0.00448131 -0.000405183 0.000697691 72
21566 124 C 48.3789 33.5297 89.8524 0.000968052 0.00319903 0.000399326 72
21567 125 C 48.5561 34.446 91.0717 0.000239192 -0.00129149 0.00191066 72
21568 126 C 48.8348 33.7018 92.4158 0.00143459 0.000199238 -0.00217943 72
21569 127 C 48.9872 34.723 93.5711 -0.000989458 0.00341283 -0.00182913 72
21570 128 C 49.662 34.13 94.8136 -0.000296489 -0.0021568 0.00412079 72
21571 129 C 49.9386 35.183 95.9105 0.000766354 0.00168712 -0.00066307 72
21572 130 F 46.7283 35.531 74.0353 -0.00298194 0.00383066 0.000716421 72
21573 131 H 48.0871 43.1359 79.8848 0.000757622 0.0038243 -0.00917447 72
21574 132 H 48.327 42.7764 77.469 0.00284678 0.000225271 0.00306141 72
21575 133 H 47.2947 40.7853 76.3457 0.000174956 -0.00347539 0.00219945 72
21576 134 H 40.8554 38.7869 79.5716 -0.00167318 0.00597742 0.0029008 72
21577 135 H 41.1981 38.7678 77.1213 0.00325809 -0.0120767 -0.00708117 72
21578 136 H 43.5151 38.5195 76.262 -0.0106701 -0.013083 0.00327022 72
21579 137 H 47.9627 35.0029 81.093 0.00130715 -0.00144122 0.00120902 72
21580 138 H 48.1406 34.6953 78.6091 -0.00350611 -0.00411444 0.010892 72
21581 139 H 47.3581 36.3525 77.1124 0.00253416 0.00491248 0.00142836 72
21582 140 H 43.2966 38.3646 71.252 0.000155136 0.00588192 0.0125062 72
21583 141 H 44.1689 39.2481 73.4313 0.00187763 0.00668955 -0.0135974 72
21584 142 H 40.9815 32.2279 67.0975 0.00116939 0.00922194 0.0186553 72
21585 143 H 41.0508 32.2429 64.6197 -0.00580861 -0.00215273 0.00102169 72
21586 144 H 42.0564 33.9771 68.4063 0.00371291 0.0128392 0.00236494 72
21587 145 H 48.341 36.4354 66.7846 0.00435683 -0.0252476 -0.00901683 72
21588 146 H 48.0532 36.3965 64.3575 -0.00632636 0.000188878 -0.00331423 72
21589 147 H 46.3906 36.277 68.2709 0.0189153 0.00819605 -0.00104118 72
21590 148 H 41.1982 40.3098 67.7551 -0.00115128 0.00715404 -0.00754107 72
21591 149 H 41.1856 40.6175 65.2911 -0.017824 -0.0104568 -0.0148154 72
21592 150 H 43.2756 36.5842 63.6328 0.00438486 0.0042665 -0.00280118 72
21593 151 H 42.3839 38.4554 68.7878 -0.00424437 -0.00440815 0.0017805 72
21594 152 H 45.4447 39.3526 81.3858 0.00531265 -0.000943484 0.00278797 72
21595 153 H 46.2622 34.8541 62.0409 0.00305 -0.000818692 0.00394592 72
21596 154 H 44.6488 34.7431 62.8322 0.00924777 0.00412079 0.0157116 72
21597 155 H 45.0826 36.9643 60.7482 -0.00703098 0.00137608 -0.00448754 72
21598 156 H 43.6281 36.322 61.2963 0.000730674 -0.0041733 0.0225173 72
21599 157 H 43.9563 34.2675 60.0044 -0.00497201 0.00517157 0.0173684 72
21600 158 H 45.6497 34.7434 59.6732 0.000120844 -0.00269808 0.0157663 72
21601 159 H 44.5853 36.7897 58.5193 -0.00676814 -0.00100554 -0.0146866 72
21602 160 H 43.0096 36.0303 58.7652 -0.00209477 0.0126393 -0.00647453 72
21603 161 H 43.6401 34.0768 57.3246 -0.00452166 0.00317021 0.00160316 72
21604 162 H 45.2925 34.6654 57.2838 -0.00148674 -0.0148077 0.00882926 72
21605 163 H 44.4928 36.6575 55.9578 0.00760006 -0.0068225 6.97761e-05 72
21606 164 H 42.8259 36.0799 56.0632 -0.00532991 -0.0118854 -0.0133604 72
21607 165 H 43.551 33.9883 54.8415 0.00505533 -0.00504289 -0.000682657 72
21608 166 H 45.1816 34.5367 54.8347 -0.00210794 -0.000516012 -0.0134903 72
21609 167 H 44.4506 36.4642 53.2683 0.00173047 -0.00156461 0.0116865 72
21610 168 H 42.8427 35.8993 53.3515 0.00376981 0.00769786 -0.00436263 72
21611 169 H 43.1294 33.9118 52.2919 -0.0131804 0.0199858 0.000399299 72
21612 170 H 44.8497 33.8127 52.599 0.00829221 0.00360823 -0.00753124 72
21613 171 H 44.4773 34.3274 50.2717 -0.00452203 -0.00137554 0.00128826 72
21614 172 H 45.1663 35.7666 50.9419 0.00871414 -0.0103533 0.00106194 72
21615 173 H 42.9565 36.8794 51.0647 0.00760037 0.000457611 0.000594604 72
21616 174 H 42.1167 35.4236 50.6034 -0.00641444 0.0103354 0.00509818 72
21617 175 H 43.2734 35.377 48.3652 -0.0150696 0.00761229 -0.00908834 72
21618 176 H 44.204 36.8002 48.7533 -0.000294936 -0.000860947 0.00421205 72
21619 177 H 42.4656 36.9603 48.5297 -0.0050205 0.00645343 0.0122422 72
21620 178 H 42.0725 32.7645 61.6995 -3.75316e-05 0.0034773 -0.00755339 72
21621 179 H 40.5304 33.1139 62.4722 -0.0043091 0.0113332 0.00833601 72
21622 180 H 40.4038 35.3309 61.248 -0.00897449 -0.013769 0.00970632 72
21623 181 H 42.01 35.061 60.5543 0.000797702 -0.000298759 0.00754637 72
21624 182 H 39.4543 33.4899 59.8605 0.000191207 -0.00159023 0.00900675 72
21625 183 H 40.2498 34.6469 58.9189 -0.00520953 -0.00737774 -0.00467078 72
21626 184 H 42.4076 33.0789 58.99 0.00374436 -0.00738813 -0.00219167 72
21627 185 H 41.2665 31.8968 59.6018 0.0185529 0.00898005 0.0106271 72
21628 186 H 41.548 31.6913 57.0291 -0.00865158 0.00273805 -0.0111417 72
21629 187 H 39.9 31.9083 57.6202 0.00229304 -0.00724895 0.00886386 72
21630 188 H 39.7729 34.1124 56.7371 -0.00458475 -0.00508749 -0.00138055 72
21631 189 H 41.4751 34.3496 56.8823 0.00289595 -0.00403757 0.00371719 72
21632 190 H 41.2486 34.185 54.5286 -0.0171301 0.000610328 -0.000473461 72
21633 191 H 41.9508 32.6759 54.9659 0.00167534 0.00363288 -0.00154349 72
21634 192 H 39.7573 31.5461 54.9305 0.0053085 -0.000365785 0.00262291 72
21635 193 H 38.9866 33.0854 54.46 0.00192905 0.00115654 -0.00731856 72
21636 194 H 41.2639 31.681 52.9021 0.00598567 0.00924616 0.0041295 72
21637 195 H 39.5343 31.3568 52.5775 0.0168192 -0.0133933 -0.00745467 72
21638 196 H 39.2411 33.6944 51.9097 0.00252739 0.0096954 -0.00532611 72
21639 197 H 40.8908 34.0646 52.357 0.00132533 0.0029066 -0.00249458 72
21640 198 H 40.9434 33.8166 49.8998 0.00266484 -0.00648251 -0.0170009 72
21641 199 H 41.5827 32.3183 50.486 0.00364752 0.00773307 0.0125372 72
21642 200 H 40.0046 31.891 48.7384 0.0159759 -0.000305613 0.00618402 72
21643 201 H 39.2923 31.2345 50.1907 0.00119712 -0.00377614 0.0013613 72
21644 202 H 38.7307 32.8133 49.4966 4.97281e-05 -0.00216188 -0.00151918 72
21645 203 H 43.2187 40.6473 63.401 0.00266786 -0.00193859 0.00760813 72
21646 204 H 44.2353 39.1359 63.3836 0.000145051 0.00346175 0.000368087 72
21647 205 H 43.6296 38.5901 61.2249 -0.00122329 0.000598473 -0.00449247 72
21648 206 H 42.2291 39.5988 61.1314 -0.00130858 -0.0120513 0.00361208 72
21649 207 H 43.3492 41.525 60.5656 0.00793593 0.0122413 0.012269 72
21650 208 H 44.847 41.0949 61.3322 0.00282395 0.00114844 0.000429332 72
21651 209 H 45.4419 40.5754 59.0936 -0.00176174 -0.000331923 -0.0097236 72
21652 210 H 44.7518 39.0311 59.4676 -0.00628672 0.00405657 -0.00145759 72
21653 211 H 42.6497 39.7329 58.4801 0.0129311 -0.0104061 0.017269 72
21654 212 H 43.3265 41.364 58.1011 0.0134154 0.00744887 -0.0134682 72
21655 213 H 45.1535 40.3002 56.751 -0.000610434 0.00105223 0.00645148 72
21656 214 H 44.3337 38.7356 56.9351 -0.00604092 -0.00550262 0.00756379 72
21657 215 H 42.3588 39.7561 55.6895 0.0027007 -0.00651059 0.00552934 72
21658 216 H 43.3006 41.2221 55.4881 0.00878984 0.00130767 0.00419673 72
21659 217 H 45.1152 39.8329 54.3643 -7.89886e-05 -0.00128603 0.00520929 72
21660 218 H 44.1325 38.4139 54.5533 -0.0094623 -0.00167535 -0.00117477 72
21661 219 H 42.388 39.2693 53.002 0.00150083 -0.00158651 0.00858679 72
21662 220 H 43.0861 40.9186 53.0618 -0.00653377 -0.00165844 0.00849784 72
21663 221 H 45.2442 40.0058 52.0607 0.000269184 0.00644137 -0.00685597 72
21664 222 H 44.411 38.4335 51.9339 0.000792793 0.00134535 0.00689535 72
21665 223 H 42.8083 39.2283 50.3459 3.83107e-05 -0.00604648 0.0165817 72
21666 224 H 43.3277 40.9285 50.4247 -0.0143271 -0.00388132 0.00948777 72
21667 225 H 45.1106 38.6434 49.5632 0.000873389 0.00328942 -0.0020984 72
21668 226 H 44.1891 39.7789 48.4682 -0.00241429 -0.00331513 -0.00242604 72
21669 227 H 45.4969 40.3779 49.474 -0.0096214 0.0193341 0.0129265 72
21670 228 H 40.7339 39.399 81.4881 0.00814036 0.00734386 0.000800076 72
21671 229 H 41.1914 37.72 81.8732 0.00209641 -0.00064753 0.00417881 72
21672 230 H 42.2118 38.5663 83.9636 -0.0111863 -0.00888231 0.00830841 72
21673 231 H 41.7018 40.2287 83.5816 0.00251754 -0.0042541 -0.0107552 72
21674 232 H 39.3331 39.5595 83.5156 0.00716487 0.00373588 -0.0152706 72
21675 233 H 39.7933 37.8796 83.9977 0.00770876 -0.00686277 0.0147094 72
21676 234 H 40.1638 40.4603 85.6744 -0.0198201 0.00382725 0.00250268 72
21677 235 H 38.9226 39.2278 85.9143 -0.00629496 0.0129345 -0.0158901 72
21678 236 H 40.483 37.5697 86.6137 0.00405631 -0.00191844 -0.0165546 72
21679 237 H 41.876 38.7855 86.3795 -0.00386423 0.00345271 -0.000519401 72
21680 238 H 41.0123 40.2188 88.1008 0.00236737 0.00392682 -0.0166203 72
21681 239 H 39.461 39.3848 88.0015 -0.00355929 -0.00219048 -0.0029739 72
21682 240 H 40.4702 37.4408 89.3471 0.0162934 -0.00739532 0.00641947 72
21683 241 H 41.9841 38.3333 89.4094 -0.0018881 0.000444749 -0.00163032 72
21684 242 H 40.5912 40.1666 90.6425 0.00827606 -0.00519921 0.00862036 72
21685 243 H 39.2153 39.1866 90.4433 0.00110151 0.00491004 -0.0016143 72
21686 244 H 40.5676 37.4171 91.8236 -0.00155562 -0.000274438 0.00759257 72
21687 245 H 41.7577 38.6851 92.0561 0.000596148 -0.0174233 0.00369239 72
21688 246 H 39.846 40.1405 92.9858 0.00999976 -0.00149931 -0.00108115 72
21689 247 H 38.8238 38.7635 92.8554 -0.00700994 0.0156384 -0.00145955 72
21690 248 H 40.3428 37.4415 94.4386 0.00183171 -0.00154458 0.00812787 72
21691 249 H 41.3058 38.8809 94.7062 -0.000977172 -0.0027338 0.00352537 72
21692 250 H 39.228 40.0031 95.6552 -0.00989282 0.00287647 -0.00113854 72
21693 251 H 38.2852 38.5316 95.353 -0.00894323 0.0139374 0.00636028 72
21694 252 H 39.6103 38.5314 96.4911 0.0159065 0.00138759 -0.00882308 72
21695 253 H 48.5606 41.5668 82.8329 0.00630493 0.00111633 -0.0117949 72
21696 254 H 48.4151 42.9532 81.7775 0.00196609 -0.000615128 -0.00188258 72
21697 255 H 47.95 44.0354 83.5482 0.0112136 -0.00617409 -0.0180561 72
21698 256 H 46.3223 43.5852 83.1943 0.00141957 0.00940697 0.00613815 72
21699 257 H 46.0473 43.0016 85.1992 0.00535359 -0.00373891 0.00938876 72
21700 258 H 46.9884 41.5317 85.0023 0.00848053 0.00116659 -0.00545569 72
21701 259 H 48.8347 42.2721 86.0895 0.0049276 0.0035084 0.00391592 72
21702 260 H 48.5051 44.0456 85.7532 0.000327774 0.00133391 0.00239458 72
21703 261 H 47.1148 44.2594 87.5267 0.00716012 -0.00182284 0.0200437 72
21704 262 H 46.5761 42.6128 87.4396 0.00120218 0.00314022 0.00568373 72
21705 263 H 48.4396 41.766 88.6667 -0.00213475 0.00176862 0.00650968 72
21706 264 H 49.4109 43.1751 88.2923 0.00961152 0.000852631 0.0142229 72
21707 265 H 48.627 44.427 90.0881 0.0003527 0.00601542 0.0109078 72
21708 266 H 47.0006 43.8763 89.9051 -0.00210254 -0.00911272 0.0144926 72
21709 267 H 47.514 41.7808 91.0238 -0.0113137 0.00688464 0.00907362 72
21710 268 H 49.2218 42.0954 91.007 -0.000895027 -0.00197544 -0.0155599 72
21711 269 H 48.8677 44.0501 92.5647 -0.00720706 0.00602279 0.00913176 72
21712 270 H 47.1272 43.8254 92.4629 -0.00105801 0.00263568 -0.000548917 72
21713 271 H 47.3369 41.5656 93.6138 0.00135969 -0.0105415 -0.00803006 72
21714 272 H 49.0542 41.7749 93.658 0.00164141 0.000488896 -0.0005995 72
21715 273 H 47.0234 43.6311 95.0659 -0.00184528 -0.0115959 -0.00396647 72
21716 274 H 47.8406 42.179 95.7156 -0.000213706 0.00376094 0.00683166 72
21717 275 H 50.0356 43.4046 95.3218 -0.00211466 0.000407215 0.00220566 72
21718 276 H 49.0715 44.8933 94.901 -0.00934877 -0.00208826 -0.011269 72
21719 277 H 49.0175 44.2315 96.5204 -0.00541245 0.00440943 0.00336157 72
21720 278 H 46.0053 36.5664 84.0247 -0.0124191 -0.00160695 -0.00445561 72
21721 279 H 45.8123 35.3657 82.7858 0.00220482 0.00118282 0.00240878 72
21722 280 H 48.6791 35.7736 83.6317 -0.00627447 -0.00616662 -0.0223356 72
21723 281 H 47.8925 34.3544 83.3088 -0.0061245 0.00143325 0.002595 72
21724 282 H 46.5221 34.5879 85.5362 -0.00212329 0.00727374 0.0061652 72
21725 283 H 47.6705 35.822 86.0273 -0.00737499 -0.00208529 0.00624686 72
21726 284 H 49.5327 34.4667 86.0929 0.000768659 0.00299128 0.000674333 72
21727 285 H 48.7768 33.1088 85.2011 0.00405021 -7.13549e-05 -0.000992553 72
21728 286 H 48.9782 32.526 87.3725 -0.0122201 -0.0112709 -0.000865999 72
21729 287 H 47.2295 32.8975 87.2851 0.00437364 -0.00765122 -0.000305714 72
21730 288 H 47.4806 35.0209 88.4631 -0.00140246 0.00274119 -0.00653882 72
21731 289 H 49.2479 34.8233 88.3777 -0.00108389 -0.00490733 0.00784986 72
21732 290 H 49.1464 32.7466 89.8206 -0.00898047 -0.0064168 -0.00384967 72
21733 291 H 47.4428 32.9795 90.0087 0.00494345 -0.00702153 -0.0117946 72
21734 292 H 47.6057 34.9832 91.18 0.00245906 0.00168748 0.00655957 72
21735 293 H 49.3947 35.1258 90.877 -0.000766223 -0.00235614 -0.00613557 72
21736 294 H 49.7776 33.154 92.2956 0.00148643 0.000388763 -0.00264008 72
21737 295 H 48.0421 32.961 92.5778 0.00700835 -0.00862809 -0.0150804 72
21738 296 H 48.0203 35.183 93.8095 -0.00366864 -0.000131605 -0.0058775 72
21739 297 H 49.6203 35.5626 93.2584 -0.00577389 0.00745677 -0.000657663 72
21740 298 H 50.6048 33.6475 94.5274 0.0025354 0.00495215 0.00144198 72
21741 299 H 48.9669 33.3747 95.2003 -0.00213798 -0.0137585 -0.0218166 72
21742 300 H 49.0502 35.8132 96.0412 0.0070742 0.00938514 0.00498528 72
21743 301 H 50.7663 35.797 95.5344 0.0103426 -0.00527765 0.00904867 72
21744 302 H 50.2417 34.738 96.8662 0.0121949 0.0050338 -0.00272128 72
ITEM: TIMESTEP
108000
ITEM: NUMBER OF ATOMS
21744
ITEM: BOX BOUNDS pp pp pp
0.0000000000000000e+00 4.7073061717199998e+01
0.0000000000000000e+00 4.0766467281007898e+01
0.0000000000000000e+00 9.6958885940000002e+01
ITEM: ATOMS id type element xu yu zu vx vy vz mol
1 1 C 1.76347 6.89267 31.6227 0.00467839 0.00173494 0.000401622 1
2 2 C 2.0701 6.7048 30.2721 -0.00243977 -0.00375824 0.00404763 1
3 3 C 1.60636 5.60864 29.5792 0.00410145 0.00130039 -0.00152405 1
4 4 C 0.877715 4.62692 30.3073 -0.000527883 0.00314776 -0.00487448 1
5 5 C 0.671733 4.7466 31.6871 0.000836211 -0.00469853 0.00186709 1
6 6 C 1.13088 5.88568 32.3682 0.00167207 -0.00296483 -0.000451822 1
7 7 C -3.81763 3.45984 31.0893 -5.45489e-05 0.000878214 -0.0015474 1
8 8 C -3.61296 3.44903 29.6988 -0.00596021 -0.000194552 0.00344815 1
9 9 C -2.2749 3.42872 29.2361 -0.00176465 -0.000832751 0.000550171 1
10 10 C -1.19177 3.37283 30.1325 -0.00038463 0.00117669 0.00282937 1
11 11 C -1.42428 3.41675 31.5191 0.00220323 -0.000331684 0.00417454 1
12 12 C -2.74971 3.48283 32.0041 -0.00129176 0.00339059 -0.00111435 1
13 13 C 1.77731 0.0154007 31.8881 0.00275207 0.00313488 0.00396842 1
14 14 C 1.94253 0.0294728 30.4956 0.00251083 0.00176325 0.000134475 1
15 15 C 1.48438 1.12564 29.7948 0.0068609 -0.00126029 0.00261476 1
16 16 C 0.899902 2.20913 30.4272 0.00514435 0.00527184 0.000978861 1
17 17 C 0.274409 3.38202 29.6772 0.000712087 0.00644572 -0.00407999 1
18 18 O 0.97885 1.0148 33.9347 0.00100471 -0.00693372 0.00180093 1
19 19 O -2.99148 3.55383 33.3593 0.00227536 0.00349136 -0.00192963 1
20 20 O 0.969573 6.09179 33.7165 0.00351676 -0.00271562 0.00142953 1
21 21 C 1.15943 1.08169 32.5647 -0.00427223 0.0040181 -0.000515789 1
22 22 C 0.507188 3.34571 28.239 -0.00122538 0.0025065 -0.00382892 1
23 23 C 1.02553 3.40588 27.1466 0.00287842 -0.00126907 1.67882e-05 1
24 24 C 1.81716 3.45928 25.9599 0.00177302 0.00305931 6.00148e-05 1
25 25 C 1.8941 4.642 25.2023 0.00297421 -0.00200739 0.00481076 1
26 26 C 2.70285 4.71001 24.071 0.000254082 0.00167409 -0.00106096 1
27 27 C 3.47783 3.61949 23.6913 -0.00315307 -0.00129805 0.000885387 1
28 28 C 3.46085 2.4367 24.4638 -0.0070543 -0.000686516 0.00279821 1
29 29 C 2.60514 2.36983 25.6022 -0.00305981 0.00192661 0.00097088 1
30 30 C 4.19866 3.5949 22.4908 0.00098489 -0.00130675 -0.00015853 1
31 31 C 4.69432 3.51178 21.3908 0.000676299 -0.00326303 -0.00355604 1
32 32 C 3.20701 0.102977 19.1687 0.00181509 0.00162694 -0.000576934 1
33 33 C 3.40871 0.0424221 17.8062 -0.00163008 -0.00128337 0.000656732 1
34 34 C 4.16267 1.03374 17.1149 -0.00520711 -0.00186953 0.00163061 1
35 35 C 4.68531 2.11261 17.861 -0.00251378 0.000787595 0.00421035 1
36 36 C 4.47299 2.18839 19.258 -0.000861752 0.000165314 0.00462452 1
37 37 C 3.72829 1.17528 19.8879 0.00572732 0.00768734 0.00240807 1
38 38 C 5.06416 3.43151 19.9491 -0.00248034 0.000489146 0.000882149 1
39 39 C 8.97616 3.45414 19.8663 -0.000264598 0.00315404 -0.0020267 1
40 40 C 9.14154 3.53721 18.4808 -0.00273765 -0.00679523 -0.0073001 1
41 41 C 8.0502 3.49375 17.6077 -0.00216102 -0.00423156 0.00341272 1
42 42 C 6.74286 3.39987 18.1297 0.00391469 -0.00107721 0.000399563 1
43 43 C 6.54827 3.40343 19.5474 -0.000949928 0.00449803 -0.00120142 1
44 44 C 7.66582 3.39943 20.3937 -0.00278238 -0.00064208 0.00282774 1
45 45 C 3.48021 6.79284 18.807 0.00263376 -0.00109591 -0.000399953 1
46 46 C 3.71085 6.66362 17.4254 -0.00294482 -0.00390666 -4.72205e-05 1
47 47 C 4.37168 5.55732 16.8862 0.00119528 0.001128 -0.00161522 1
48 48 C 4.7203 4.50203 17.736 0.000654559 0.0033271 0.00209804 1
49 49 C 5.46334 3.29401 17.2972 0.00121573 0.000415351 -0.00331427 1
50 50 C 4.53709 4.62215 19.1333 -0.00232488 -0.000642403 -0.00279768 1
51 51 C 3.86737 5.74326 19.6605 -0.00145936 -0.00188836 -0.000670333 1
52 52 O 8.15305 3.46576 16.2231 -0.000333012 -0.00138992 -0.000885954 1
53 53 O 4.1779 1.02095 15.707 0.00110725 -0.000201681 -0.0047557 1
54 54 O 4.48325 5.42593 15.5026 0.000438079 -0.00038981 0.00116191 1
55 55 C -0.0475811 3.51192 32.2833 0.00165556 0.00179449 0.00250182 1
56 56 C 0.712353 2.22902 31.8329 -0.00437997 0.00232554 -0.00113039 1
57 57 C 9.41272 3.53693 15.5352 0.000394767 -0.000568769 -0.00150265 1
58 58 C 9.29504 2.82126 14.2193 -0.00191693 -0.000741071 -0.00317723 1
59 59 C 8.42379 3.52823 13.1883 0.00171057 -0.00219787 -0.00512819 1
60 60 C 8.28405 2.79894 11.849 0.000221158 0.00370329 0.000283463 1
61 61 C 7.33209 3.46184 10.8663 0.00493117 0.000423356 0.00111932 1
62 62 C 6.95639 2.48162 9.67905 -8.17408e-06 0.00352818 0.00570499 1
63 63 C 7.19667 3.15717 8.31473 -0.00233588 -0.000388572 -0.000814181 1
64 64 C 6.758 2.28604 7.10194 -0.00545642 -0.00110378 -0.000462893 1
65 65 C 7.08229 2.98769 5.77797 0.00214175 0.00304481 0.00311955 1
66 66 C 6.76996 2.06407 4.61087 -0.00251999 0.000720817 0.00264192 1
67 67 C 7.0038 2.7239 3.22632 -0.00165243 -0.00205333 -0.00155087 1
68 68 C 6.63836 1.91547 1.99384 0.00636484 0.00207277 0.000402778 1
69 69 F 2.67719 5.82596 23.2918 -0.000490925 -0.00246792 0.00113256 1
70 70 C 5.39756 0.958892 14.9629 0.00122758 -0.00128287 -0.00185341 1
71 71 C 5.61675 -0.42239 14.3818 0.000228516 -0.000765536 -0.00369752 1
72 72 C 6.31093 -0.342506 12.9931 -0.000382587 -0.0061987 0.000128885 1
73 73 C 6.52798 -1.73457 12.3491 -0.00295568 -0.00536524 0.00154486 1
74 74 C 5.86726 -1.91193 10.9877 0.000808758 -0.00146537 0.000608276 1
75 75 C 6.67497 -1.34031 9.78224 -0.00277622 -0.00223564 0.00447869 1
76 76 C 6.25392 -2.10501 8.48919 -0.00694473 -0.00128604 0.000194384 1
77 77 C 6.69635 -1.52179 7.13779 -0.00607954 0.000450775 -0.00260938 1
78 78 C 6.62182 -2.62124 6.08935 -0.00440775 8.0397e-05 0.000694095 1
79 79 C 7.18176 -2.28942 4.70398 -0.00100473 -0.000615195 0.000584056 1
80 80 C 6.15581 -1.56298 3.76119 0.00297216 -0.00246121 -0.000253199 1
81 81 C 6.6236 -1.69161 2.3239 -0.00321779 -0.000544651 0.0050327 1
82 82 C 3.24961 5.47019 14.7169 -0.000866481 -0.00717198 0.00287712 1
83 83 C 3.18333 4.16984 13.8431 -0.00182832 -0.00151617 -0.00444425 1
84 84 C 4.04031 4.28767 12.54 -0.00376553 0.00608316 -0.000749966 1
85 85 C 3.35522 5.00589 11.3732 -0.000359852 0.00167452 0.00598683 1
86 86 C 3.97489 4.68786 9.97853 -0.00218493 0.00147296 0.00148778 1
87 87 C 3.20907 5.38634 8.8123 0.00332072 0.00282004 0.00312424 1
88 88 C 3.65315 4.78609 7.45741 0.00258162 0.00358621 0.00102876 1
89 89 C 3.13025 5.5485 6.22185 0.00383689 -0.000963269 -0.00390839 1
90 90 C 3.39012 4.74541 4.94884 -0.00158275 0.00124533 0.00102018 1
91 91 C 3.00102 5.5497 3.69762 0.00375537 0.000985416 0.00247822 1
92 92 C 3.22811 4.73256 2.41638 0.00307982 -0.00156389 -0.0018182 1
93 93 C 3.15025 5.60175 1.20665 -0.00578303 -0.000168023 -0.00333816 1
94 94 C -4.15092 4.27128 33.8778 -0.00409835 0.000688004 0.00193346 1
95 95 C -5.30486 3.34244 34.2298 -0.00365269 -0.00219787 0.00221347 1
96 96 C -6.19808 3.72896 35.4168 -0.00440023 -0.00335821 0.00089004 1
97 97 C -5.43661 3.78376 36.7654 -0.00117203 -0.00106594 -0.00102643 1
98 98 C -6.33198 4.00202 37.9711 -0.00415806 0.00125711 0.00246173 1
99 99 C -5.56262 3.58209 39.2194 0.00198142 0.00076278 0.00153064 1
100 100 C -6.25354 3.92491 40.5432 -0.000539408 -0.00193879 0.00211313 1
101 101 C -5.61482 3.30401 41.8523 0.000515448 -0.000667742 0.00108199 1
102 102 C -6.18042 3.9724 43.1398 -0.00276829 0.0012667 -0.000244259 1
103 103 C -5.53028 3.43892 44.4283 0.00134688 -0.00097559 0.00174524 1
104 104 C -6.07322 4.07096 45.7072 -0.00175007 -0.000845153 0.00590552 1
105 105 C -7.32326 3.36584 46.2887 -0.00212589 -0.000674484 0.00237274 1
106 106 C 1.90336 6.8671 34.5544 -0.000711585 -0.0016155 0.00336894 1
107 107 C 1.22382 7.27586 35.8743 -0.00258664 0.00147504 0.000911225 1
108 108 C 2.11508 8.03194 36.909 0.002861 -0.000905319 0.00174456 1
109 109 C 1.59056 7.6869 38.3617 0.00121926 0.00331873 -0.00241134 1
110 110 C 2.40943 8.30206 39.541 -0.00015472 -0.00185468 -0.00244765 1
111 111 C 1.77718 7.83856 40.8328 0.000893906 0.0010284 0.00169008 1
112 112 C 2.41996 8.47281 42.0962 -0.0045658 -6.93338e-05 -0.00309956 1
113 113 C 1.82858 7.81204 43.3609 -0.00146578 -0.00196817 0.0052277 1
114 114 C 2.42592 8.42165 44.6874 0.00310359 4.96952e-05 -5.3006e-05 1
115 115 C 2.1924 7.46887 45.8701 -0.00344124 0.00330122 -0.000620776 1
116 116 C 0.755374 7.45784 46.4441 1.01715e-05 -0.00467206 -0.00444754 1
117 117 C 0.528826 8.46727 47.5824 0.00150035 0.00398993 -0.000432276 1
118 118 C 1.9353 0.274416 34.7636 -0.00400743 0.00245253 0.00169453 1
119 119 C 1.50742 -0.0931866 36.2099 -0.000547396 0.0066843 0.000159658 1
120 120 C 2.50478 -1.11708 36.7582 -0.00451908 0.00452132 0.00231728 1
121 121 C 2.31228 -1.39671 38.2748 0.0021325 -0.000353782 0.00246688 1
122 122 C 2.41607 -0.207533 39.231 0.00156449 -3.71488e-05 0.00345999 1
123 123 C 2.65556 -0.677047 40.713 -0.00460918 -0.00210118 -0.00160214 1
124 124 C 1.53696 -1.51539 41.3807 0.00138241 0.00143938 0.00188729 1
125 125 C 1.4109 -1.23485 42.8742 -0.00281595 0.00109204 0.00360677 1
126 126 C 2.62332 -1.62359 43.73 5.37545e-05 -0.000699608 0.00441396 1
127 127 C 2.52741 -1.05559 45.1469 -0.000885499 -0.00241954 0.000513756 1
128 128 C 1.24703 -1.54318 45.8948 -0.000977934 -0.0017823 -0.000993707 1
129 129 C 1.33991 -1.22263 47.3817 -0.00149971 -0.00279828 0.000965978 1
130 130 F 1.12313 5.71924 25.5001 0.000411825 -0.00253128 7.2444e-05 1
131 131 H 2.03298 7.85 32.0589 0.00616997 0.00236956 -0.00191276 1
132 132 H 2.6087 7.4656 29.7149 -0.013169 0.00404923 0.00434996 1
133 133 H 1.77095 5.56323 28.5067 0.0176355 0.0106097 0.00016889 1
134 134 H -4.83666 3.3925 31.4587 -0.00342187 0.00348833 -0.0103741 1
135 135 H -4.443 3.52561 29.0027 -0.00877187 0.022193 0.00922064 1
136 136 H -2.15424 3.44636 28.157 -0.00714552 -0.00923623 -0.000201589 1
137 137 H 2.10216 -0.887749 32.3962 -0.0177175 0.00343289 0.0175827 1
138 138 H 2.33753 -0.817991 29.9432 -0.0039964 0.0019157 -0.00476315 1
139 139 H 1.48142 1.0546 28.7112 8.74717e-05 0.00199455 0.00241191 1
140 140 H 4.12429 1.61218 24.22 -0.0111289 0.00102757 -0.0140051 1
141 141 H 2.53108 1.45508 26.1829 -0.012568 -0.00496235 -0.0110672 1
142 142 H 2.57552 -0.647735 19.6345 -0.00570764 0.0094962 0.0019129 1
143 143 H 2.96199 -0.785233 17.2633 -0.00435434 -0.0113706 0.0182701 1
144 144 H 3.46419 1.19382 20.9412 0.00740111 0.0252254 0.00249087 1
145 145 H 9.81939 3.49038 20.5497 0.00748777 0.0115368 -0.0120533 1
146 146 H 10.1404 3.55694 18.0551 0.00334038 0.00556502 0.00760004 1
147 147 H 7.5537 3.4427 21.473 0.00223259 -0.0102468 0.00373045 1
148 148 H 2.94951 7.61436 19.2791 -0.00654615 -0.00870157 0.00257083 1
149 149 H 3.42174 7.51141 16.8113 -0.00268875 -0.000524152 0.00447752 1
150 150 H 5.56561 3.25242 16.2058 -0.0028391 -0.0194665 -0.00295389 1
151 151 H 3.71164 5.83732 20.7312 0.0056279 -0.0137148 0.00140963 1
152 152 H -0.194561 3.60191 33.3666 0.00393486 0.00177675 0.00281011 1
153 153 H 9.66259 4.59117 15.3633 -0.00523039 0.00285453 0.0113266 1
154 154 H 10.2164 2.98378 16.0368 0.00182621 -0.00101777 -0.00427907 1
155 155 H 8.87706 1.81951 14.3781 -0.00307982 0.00142597 0.00734439 1
156 156 H 10.2733 2.62034 13.7653 -0.00170121 0.00392769 -0.00476727 1
157 157 H 8.82015 4.53502 13.0075 -0.00374223 0.000349046 -0.00294767 1
158 158 H 7.42323 3.66696 13.6161 0.00758044 0.00167955 0.00734576 1
159 159 H 7.96394 1.76289 12.0149 0.0057658 0.00207206 0.000824552 1
160 160 H 9.26679 2.76387 11.3628 -0.00160019 -0.00784023 -0.00256824 1
161 161 H 7.78936 4.3891 10.4996 0.00960497 -0.00364931 -0.00333303 1
162 162 H 6.3973 3.76299 11.3551 -0.00462867 -0.00329895 -0.014821 1
163 163 H 5.90409 2.18842 9.77959 0.00626693 -0.0188045 0.00590248 1
164 164 H 7.62514 1.61285 9.71687 -0.00137479 0.00209217 -0.0032963 1
165 165 H 8.23642 3.46481 8.14832 0.00174679 -0.00681874 0.0130528 1
166 166 H 6.61116 4.08302 8.25648 -0.0148032 -0.0093229 -0.0178981 1
167 167 H 5.67035 2.14649 7.13261 -0.00437301 -0.00891515 0.0023918 1
168 168 H 7.16492 1.26734 7.11 0.00657401 0.00372013 -0.00044624 1
169 169 H 8.16204 3.18065 5.76057 0.00395522 -0.00702995 0.00330827 1
170 170 H 6.56547 3.95395 5.72637 0.00866982 0.00615985 -0.00393796 1
171 171 H 5.73238 1.71749 4.69281 -0.000819932 -0.00659457 -0.00677638 1
172 172 H 7.41722 1.18415 4.71191 -0.00411302 -0.000116849 0.00556642 1
173 173 H 8.03616 3.08403 3.13726 0.00328782 -0.0134246 0.00997863 1
174 174 H 6.39179 3.63431 3.22236 0.0016493 0.000199905 0.00443607 1
175 175 H 5.62167 1.53244 2.14563 0.00762874 0.000415476 0.00476347 1
176 176 H 7.26294 1.01374 1.97996 0.00346706 1.31913e-05 0.00319096 1
177 177 H 6.72946 2.44538 1.03764 -0.010465 0.00995854 0.00317671 1
178 178 H 5.29937 1.66899 14.1326 0.0114972 0.0111313 0.00754323 1
179 179 H 6.25761 1.28207 15.5623 -0.00625751 -0.00160862 0.00906396 1
180 180 H 6.19593 -1.08791 15.0338 0.00837004 0.0173102 0.00747038 1
181 181 H 4.60632 -0.84406 14.3137 -0.000838272 0.00235291 -0.00728187 1
182 182 H 5.76772 0.289673 12.2799 -0.0105497 -0.00291338 0.0108108 1
183 183 H 7.30163 0.122814 13.0667 -0.00167614 -0.00159926 -0.0111624 1
184 184 H 7.59938 -1.89404 12.1756 -0.00489808 -0.0206604 0.00367431 1
185 185 H 6.18129 -2.5113 13.0419 -0.0175849 -0.00950724 -0.0104228 1
186 186 H 5.79997 -2.98584 10.7742 -0.00561825 -0.00326137 0.0118055 1
187 187 H 4.83654 -1.54239 11.0545 0.00722178 0.0143396 0.0121359 1
188 188 H 6.5224 -0.260194 9.66614 0.00867515 -0.000312423 0.00728687 1
189 189 H 7.74608 -1.49697 9.95999 -0.00381123 0.00459246 0.0168036 1
190 190 H 6.70604 -3.10058 8.5776 -0.0122333 -0.00317197 0.00590447 1
191 191 H 5.16345 -2.21148 8.43488 -0.00703099 -0.00105112 0.00149213 1
192 192 H 5.99717 -0.726446 6.85146 -0.00922824 0.00315872 0.0125821 1
193 193 H 7.725 -1.15953 7.25629 -0.00374278 -0.00572533 -0.00398872 1
194 194 H 7.18045 -3.50471 6.42227 -0.00223414 0.00606392 0.0128596 1
195 195 H 5.58973 -2.98685 6.022 -0.00651285 0.00755426 -0.00745479 1
196 196 H 8.12818 -1.74835 4.82623 0.00570653 -0.0135074 0.00570301 1
197 197 H 7.37109 -3.2832 4.27976 0.0121849 0.00122828 0.00221865 1
198 198 H 5.16705 -2.00935 3.92401 0.00145357 -0.000288279 -0.00356679 1
199 199 H 6.08964 -0.502505 4.03399 0.00697442 -0.00193142 -0.00133146 1
200 200 H 5.93525 -1.21717 1.61363 0.00130063 -0.0098982 -0.00561808 1
201 201 H 7.60394 -1.19986 2.30105 -0.00438147 0.00197752 0.00905342 1
202 202 H 6.75685 -2.72397 1.97764 -0.0086324 -0.000599972 0.00310843 1
203 203 H 2.36789 5.45753 15.3695 0.00451768 0.0113776 0.0104709 1
204 204 H 3.21208 6.35313 14.067 0.00298 -0.00757509 0.0021081 1
205 205 H 3.40233 3.24696 14.3942 -0.00116526 0.00194716 0.00107701 1
206 206 H 2.13242 4.11041 13.5341 -0.00133672 -0.0124447 -0.00395307 1
207 207 H 5.01851 4.71325 12.7958 -0.0032715 -0.00252788 0.0117648 1
208 208 H 4.16448 3.25187 12.2008 -0.00468638 0.00517238 0.00168752 1
209 209 H 2.31007 4.67267 11.3804 -0.00254535 0.00832814 -0.00521689 1
210 210 H 3.31257 6.09578 11.4904 0.0133231 0.00315378 -0.00277618 1
211 211 H 5.01789 5.02666 9.95056 -0.000250977 -0.00616413 -0.018985 1
212 212 H 4.00747 3.6067 9.79565 0.00240237 6.93156e-05 0.0106128 1
213 213 H 2.13078 5.19828 8.88542 0.00207347 -0.00148674 -0.0257619 1
214 214 H 3.4481 6.45697 8.81668 0.00887822 0.00154281 0.0133763 1
215 215 H 4.74663 4.80367 7.37132 0.00167428 0.00574122 -0.0102117 1
216 216 H 3.31721 3.74561 7.36816 0.0118936 -0.00126492 0.0229295 1
217 217 H 2.04957 5.72158 6.29664 0.00628449 0.00430209 0.0190573 1
218 218 H 3.5815 6.54399 6.12818 -0.00106533 0.00175879 0.00132994 1
219 219 H 4.46384 4.52765 4.89298 -0.00368332 -0.0111281 0.00899971 1
220 220 H 2.87626 3.77645 4.97083 -0.019717 0.0105249 -0.0140282 1
221 221 H 1.95831 5.88976 3.72045 0.00442623 0.00291536 0.00432591 1
222 222 H 3.6506 6.43331 3.72386 0.00581026 -0.000328256 -0.00454413 1
223 223 H 4.24832 4.33729 2.49607 0.00673678 0.00589931 -0.0116221 1
224 224 H 2.51493 3.90595 2.30914 -0.00581349 0.00478318 0.00843864 1
225 225 H 3.84784 6.44138 1.31528 -0.00370723 -0.00379331 0.0113788 1
226 226 H 2.15669 6.04029 1.05194 0.000945957 0.0173098 0.00285623 1
227 227 H 3.41571 5.0359 0.305125 -0.00355964 0.00812215 -0.00789431 1
228 228 H -3.87952 4.86406 34.76 0.0172381 -0.00202844 -0.00281072 1
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974 68 C 18.8257 10.8296 2.76103 -0.00147329 -0.00348617 -0.00159948 4
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980 74 C 14.4863 7.00365 9.90659 0.0014994 0.000722646 0.00520662 4
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993 87 C 19.5555 15.3241 9.01614 0.000571759 0.00110159 0.00124401 4
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1001 95 C 7.40244 10.1586 34.8275 0.00212926 -0.000881963 0.000372168 4
1002 96 C 5.94355 10.353 35.3252 -0.00131653 -0.00393805 0.000121129 4
1003 97 C 5.87594 10.9928 36.7363 0.00074511 -0.00045258 -0.00274524 4
1004 98 C 5.7404 9.9813 37.8985 0.00251967 0.00154809 -0.0030205 4
1005 99 C 5.86098 10.7767 39.1994 0.0015532 0.000621395 -0.0018561 4
1006 100 C 5.72663 9.95573 40.4982 0.00101104 -0.00392191 -0.0037856 4
1007 101 C 5.95145 10.7351 41.7989 -0.00252643 -0.00259935 0.00197142 4
1008 102 C 5.8903 9.90828 43.0763 -0.000674686 -0.0005184 0.00194714 4
1009 103 C 6.10859 10.7596 44.3324 -0.00286476 0.000904526 0.00262748 4
1010 104 C 5.86193 9.94975 45.6292 0.00110572 0.00143408 -0.00319194 4
1011 105 C 6.18252 10.7918 46.8906 -0.00146945 0.0015252 0.00385711 4
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1013 107 C 13.3151 13.9422 35.1181 -3.37374e-05 0.00115963 -0.00204002 4
1014 108 C 13.9507 15.31 35.6747 -7.10899e-05 -0.000891399 0.00289083 4
1015 109 C 14.2271 15.2484 37.1787 0.00173091 0.00194562 0.00136584 4
1016 110 C 13.0245 15.2312 38.1269 0.000603316 0.00735792 0.0014792 4
1017 111 C 13.2689 14.6489 39.5492 -7.01098e-05 0.000815759 0.00259599 4
1018 112 C 14.5256 15.2188 40.2618 0.00270747 -0.00140451 0.00275288 4
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1020 114 C 13.9723 14.9611 42.7478 0.00539676 -0.00117307 -0.00112468 4
1021 115 C 14.5868 14.5185 44.0991 0.00245684 -0.00333655 0.00292775 4
1022 116 C 13.8347 15.0172 45.3165 -0.00273606 0.00410622 0.00167847 4
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1025 119 C 13.4709 6.85488 35.825 0.00533443 -0.00310813 0.00166734 4
1026 120 C 14.1565 5.58559 36.4324 0.00446834 0.00257633 -0.00107263 4
1027 121 C 13.8671 5.25191 37.8891 0.00231203 0.00452104 0.00242696 4
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1029 123 C 13.8002 5.56559 40.3998 0.00357949 -0.00158801 -0.00587534 4
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1032 126 C 13.7933 6.29753 44.26 -0.00113806 -0.00239766 0.000848709 4
1033 127 C 13.8716 5.35012 45.4525 -0.000442157 -7.23705e-05 0.00420308 4
1034 128 C 13.8223 5.97074 46.8727 0.000542327 -0.00290207 0.00357705 4
1035 129 C 12.4142 6.51941 47.3179 0.00205445 -0.00103277 -0.00588939 4
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1512 2 C 21.5415 13.5827 30.0829 0.00157148 0.0024873 -0.001036 6
1513 3 C 21.0472 12.458 29.4412 -0.00112422 0.00193763 0.000189146 6
1514 4 C 20.3896 11.4498 30.1504 -0.00280593 -0.000699465 -0.00130932 6
1515 5 C 20.1747 11.5533 31.5282 -0.00250439 -0.00157098 0.00304337 6
1516 6 C 20.6667 12.7056 32.2051 0.00525215 -9.64292e-05 -0.00040817 6
1517 7 C 15.7954 10.0027 30.8535 0.00208807 0.00339602 -0.00409047 6
1518 8 C 16.0352 9.94468 29.474 -0.00148287 0.000255598 0.000916709 6
1519 9 C 17.3204 9.98403 28.9804 -0.000752625 -0.00155727 -0.00263235 6
1520 10 C 18.3893 10.1081 29.8825 -0.0013247 0.00556834 0.000292524 6
1521 11 C 18.1602 10.1544 31.2814 0.000403899 0.00250014 0.00061361 6
1522 12 C 16.829 10.1222 31.7772 0.00274378 -0.00433451 0.00158326 6
1523 13 C 21.4406 6.93108 31.7841 0.000773422 0.00207732 0.00136665 6
1524 14 C 21.5025 6.83605 30.3939 -0.000653767 -0.000636096 -0.000135174 6
1525 15 C 21.0859 7.91849 29.63 0.00320584 0.00103052 -0.000695084 6
1526 16 C 20.5163 9.03336 30.2502 1.51489e-05 -0.00259044 0.000211932 6
1527 17 C 19.8392 10.1818 29.4801 -0.000816167 0.001049 -0.000950313 6
1528 18 O 20.6559 7.99924 33.7676 0.00385031 0.00142682 -0.00011556 6
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1530 20 O 20.5065 12.8439 33.5818 -0.000553257 0.00145786 0.000866134 6
1531 21 C 20.8317 8.04522 32.42 -0.00390013 -0.00523118 -0.00140279 6
1532 22 C 20.1495 10.1158 28.0666 0.000701832 0.000762778 -0.000383164 6
1533 23 C 20.6753 10.09 27.0041 -0.00227564 -0.00143284 0.00147626 6
1534 24 C 21.5485 10.1465 25.8887 9.86792e-05 -0.00224063 -0.00126424 6
1535 25 C 22.1931 11.3727 25.5696 0.00124411 -0.00217927 0.00353224 6
1536 26 C 23.2368 11.3356 24.6207 0.000596445 -0.00276186 0.0014291 6
1537 27 C 23.6253 10.1275 24.0148 -0.00348582 0.00386396 0.00412475 6
1538 28 C 22.9579 8.93576 24.313 0.00339523 -0.000460928 -0.000989223 6
1539 29 C 21.9458 8.97928 25.2815 0.00113751 -0.000813372 0.000214281 6
1540 30 C 24.3875 10.1714 22.8185 -0.00404867 0.00226821 0.000268962 6
1541 31 C 24.774 10.1923 21.6654 0.000632634 0.00164202 -0.00322168 6
1542 32 C 22.8072 6.97559 19.4788 0.0026529 0.00218142 -0.00452016 6
1543 33 C 22.7398 7.06829 18.0834 -0.000804446 -0.000424719 0.00219049 6
1544 34 C 23.4423 8.07236 17.3719 0.00192054 -0.00132194 -0.00534722 6
1545 35 C 24.0807 9.08497 18.1242 -0.000731032 0.000254088 0.00195949 6
1546 36 C 24.1148 9.0066 19.5375 0.00227178 -0.00531429 0.0027398 6
1547 37 C 23.452 7.97016 20.1869 -0.00237592 -5.57999e-05 0.000363803 6
1548 38 C 24.8667 10.2126 20.2229 -0.00115736 -0.00268816 -3.29239e-05 6
1549 39 C 28.6615 9.96017 19.5637 -0.000545177 0.00174893 -0.00220711 6
1550 40 C 28.6343 9.99051 18.1282 -0.00172592 0.00159664 -0.00424178 6
1551 41 C 27.3868 10.1347 17.4595 -0.00455878 -0.00576804 0.00149159 6
1552 42 C 26.2249 10.1769 18.1718 0.000307271 -0.00446563 0.00288611 6
1553 43 C 26.2747 10.1599 19.5859 -0.000335793 -0.00245118 -0.0017823 6
1554 44 C 27.4861 10.0172 20.289 -0.000224841 -0.00433607 0.00101205 6
1555 45 C 22.866 13.524 19.6929 0.00338766 0.00324314 0.000820595 6
1556 46 C 23.0971 13.611 18.3022 0.00305044 -0.00406902 -0.00186667 6
1557 47 C 23.7776 12.6338 17.5947 0.00157426 0.005909 0.00501892 6
1558 48 C 24.2377 11.5216 18.2407 -0.00376932 -0.000403186 0.00604282 6
1559 49 C 24.8209 10.2858 17.5679 0.00120539 -0.00166528 -0.00309223 6
1560 50 C 24.1716 11.4693 19.6425 -0.00357249 0.00284888 -0.00073883 6
1561 51 C 23.4693 12.457 20.3558 -0.00302154 -0.00240903 -0.00197224 6
1562 52 O 27.3863 10.3318 16.1289 -0.00279302 -0.00072426 -0.00242806 6
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1564 54 O 24.0658 12.8414 16.2267 -0.0018816 0.00488647 -0.0011589 6
1565 55 C 19.4806 10.2983 32.1342 0.00573837 0.004366 0.00308267 6
1566 56 C 20.335 9.11986 31.6381 -0.000140426 -0.00294687 -0.00345637 6
1567 57 C 27.7532 9.23961 15.2423 0.000132861 -0.00227808 -0.00236173 6
1568 58 C 26.4684 8.85166 14.5056 -0.00365314 -0.00100154 -0.00161093 6
1569 59 C 26.1245 9.86535 13.3827 -0.00391574 0.000729783 -0.00187328 6
1570 60 C 26.6588 9.28745 12.0496 8.40466e-05 -0.00241792 -0.00117024 6
1571 61 C 26.5013 10.2022 10.847 -0.000420566 0.00259028 4.0945e-05 6
1572 62 C 26.7093 9.39551 9.54032 0.00164675 0.000465879 0.00173218 6
1573 63 C 26.4998 10.3502 8.34936 0.00361977 -0.00130957 0.000324739 6
1574 64 C 26.6922 9.72231 6.96161 0.00165692 0.00133404 0.00203786 6
1575 65 C 26.0706 10.5742 5.86556 0.000545973 0.000437012 0.00230815 6
1576 66 C 26.5223 10.1268 4.47386 -0.00187104 0.000928396 0.00255435 6
1577 67 C 25.917 11.0175 3.40141 -0.000624294 0.00229141 -0.00161634 6
1578 68 C 26.5313 10.7277 2.02227 0.00137303 0.00115881 0.000230121 6
1579 69 F 23.8356 12.4998 24.2307 0.00154733 0.0041644 0.000658325 6
1580 70 C 23.5522 7.0422 15.1377 0.0044791 -0.00211075 -0.00278365 6
1581 71 C 23.1279 7.52856 13.7406 -0.00332975 0.00249009 -0.0027605 6
1582 72 C 23.8344 6.87775 12.5098 0.000816411 -0.00263769 -0.000429488 6
1583 73 C 23.6189 7.56182 11.1025 -0.000204968 -0.00105567 -0.00231218 6
1584 74 C 22.1689 7.77253 10.7978 0.00255088 -0.00294355 0.00264541 6
1585 75 C 21.857 7.36239 9.35418 0.00344024 0.00271399 0.00562557 6
1586 76 C 22.6383 8.18453 8.26046 -0.00184697 0.0015853 0.00326522 6
1587 77 C 22.4252 7.51386 6.89684 0.00165473 0.00240889 0.00364028 6
1588 78 C 23.147 8.30197 5.77127 0.00275763 0.00404563 -0.0033138 6
1589 79 C 22.8192 7.70931 4.38899 0.000842022 -0.0027028 0.00149434 6
1590 80 C 23.3052 8.56409 3.2651 -0.00174649 0.00373503 0.00363426 6
1591 81 C 22.9899 7.95066 1.89164 0.00266878 0.00130877 -0.000664832 6
1592 82 C 25.3642 13.3669 15.8576 0.00204044 -0.000480411 -0.00191437 6
1593 83 C 25.279 14.2654 14.6339 0.00210823 0.00131869 0.00028064 6
1594 84 C 25.7331 13.6182 13.3005 -0.00276575 0.00238379 0.00103403 6
1595 85 C 25.5207 14.5751 12.1197 0.00317813 -0.0029321 -0.00365789 6
1596 86 C 26.3957 14.11 10.9488 0.00753641 0.000889652 -0.00310997 6
1597 87 C 26.0797 14.8283 9.59624 -0.00170613 0.00273937 0.000160925 6
1598 88 C 26.9925 14.3862 8.41646 -0.00029261 0.00191457 -0.00289551 6
1599 89 C 26.5008 14.8945 7.02906 -0.00127209 -0.00273776 0.0033117 6
1600 90 C 27.3066 14.3922 5.84189 -0.000833655 -0.00205997 -0.00563203 6
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1814 2 C 25.3802 6.84847 29.3912 -0.00115308 -0.00400736 0.0027158 7
1815 3 C 24.9271 5.72863 28.7414 -0.000332593 -0.00241711 0.00104572 7
1816 4 C 24.3219 4.68066 29.46 0.00302541 -0.00345423 -0.00386333 7
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1822 10 C 22.215 3.45092 29.2714 0.00344044 -0.0030766 0.00323328 7
1823 11 C 22.1827 3.42873 30.7046 0.00158503 0.0012976 0.000375839 7
1824 12 C 20.9058 3.33307 31.2958 -0.000582075 -0.00175498 0.000826787 7
1825 13 C 25.3526 0.057275 30.686 -0.00337065 -0.00160293 -0.00420875 7
1826 14 C 25.3112 0.046855 29.304 -0.00380375 -0.00248965 0.00133669 7
1827 15 C 24.7486 1.1296 28.6242 -0.00326645 -0.00128774 0.00182865 7
1828 16 C 24.2442 2.21861 29.373 -0.00350981 -0.000425821 -0.00106864 7
1829 17 C 23.6342 3.49816 28.7395 -0.000907348 0.00138707 0.00503385 7
1830 18 O 24.6891 0.941289 32.8712 0.000623673 -0.00282537 5.45401e-05 7
1831 19 O 20.7861 3.36186 32.6905 3.19927e-05 0.00231573 -0.000996239 7
1832 20 O 24.6203 6.05031 32.9768 -0.00183212 0.00138688 0.00118289 7
1833 21 C 24.7546 1.07501 31.4767 0.000599237 -0.000160366 0.00105155 7
1834 22 C 23.8401 3.50499 27.2805 0.00142403 0.00372678 -2.84441e-05 7
1835 23 C 24.2995 3.44039 26.1687 0.00137447 -0.00055134 0.000359064 7
1836 24 C 25.1598 3.42089 25.0526 -0.001456 0.000526681 0.000936722 7
1837 25 C 25.6063 2.17789 24.5083 -0.0016446 -0.00205234 -0.000535887 7
1838 26 C 26.5907 2.18607 23.547 -0.000722397 -0.00400871 -0.000638418 7
1839 27 C 27.112 3.40356 23.0544 -0.00358353 -0.00268787 -0.00281545 7
1840 28 C 26.6097 4.6252 23.5708 -0.00229996 -0.00542187 -0.000706117 7
1841 29 C 25.6752 4.62593 24.595 7.7448e-05 -0.00126 0.00153878 7
1842 30 C 27.9922 3.45783 21.9503 3.22952e-07 -0.000219882 0.00439913 7
1843 31 C 28.5503 3.50709 20.8768 -0.00148173 -0.00491009 0.00160263 7
1844 32 C 27.1742 0.125916 18.5422 0.00316136 -0.000884375 0.00219457 7
1845 33 C 27.4322 0.0824907 17.1772 0.00180952 -0.00113428 0.00189333 7
1846 34 C 27.9499 1.22156 16.5251 0.00277465 -0.000324672 0.000897763 7
1847 35 C 28.2497 2.34645 17.3026 0.00121404 -0.000849723 -0.000865849 7
1848 36 C 28.1123 2.32862 18.7112 -0.00199597 0.00449909 -0.00272035 7
1849 37 C 27.5513 1.19894 19.3436 0.000830626 0.00131199 -0.00154188 7
1850 38 C 28.757 3.5129 19.407 0.000506967 -0.00106908 -0.00156743 7
1851 39 C 32.6252 3.34572 19.0872 -0.00178333 0.00197108 -0.00577047 7
1852 40 C 32.7312 3.61089 17.7197 -0.00140204 -0.00328353 -0.00380983 7
1853 41 C 31.5724 3.76453 16.9168 0.00260528 0.00645509 -0.00171616 7
1854 42 C 30.3041 3.62042 17.5299 0.00357946 0.000449946 -0.00189241 7
1855 43 C 30.2213 3.51452 18.9286 0.0022555 -0.00148556 -0.00492216 7
1856 44 C 31.3744 3.34957 19.726 -0.00417379 0.00367193 0.00741159 7
1857 45 C 26.8007 6.74865 18.6411 0.0025448 0.00488127 -0.000243841 7
1858 46 C 26.7849 6.6905 17.2534 -0.00113929 -0.00104369 -0.00295478 7
1859 47 C 27.5716 5.75208 16.6092 0.00502186 -0.00179805 0.00459613 7
1860 48 C 28.167 4.76457 17.3699 0.00135057 -0.00283169 0.000698176 7
1861 49 C 28.969 3.59796 16.809 -0.00360407 0.00335096 -0.000706203 7
1862 50 C 28.1164 4.76655 18.7594 -0.00392328 0.000791956 0.00285911 7
1863 51 C 27.4337 5.77847 19.4172 -0.000475719 0.000109886 -0.00271569 7
1864 52 O 31.6362 4.05816 15.5826 0.00321652 -0.00237558 -0.00259845 7
1865 53 O 28.3303 1.24313 15.1879 0.000717297 0.00104399 0.00220726 7
1866 54 O 27.6998 5.79395 15.2413 0.0008457 -0.00306997 0.00355742 7
1867 55 C 23.5635 3.45225 31.3997 -0.00358223 -0.00625816 -0.000493246 7
1868 56 C 24.2697 2.19136 30.7786 0.00236992 -0.00191932 0.00193831 7
1869 57 C 31.767 2.97667 14.6662 0.00318987 -0.0022985 -0.00387603 7
1870 58 C 31.7952 3.55478 13.2183 -0.00254315 -0.000467403 -0.00135105 7
1871 59 C 30.488 3.52372 12.4178 0.00230683 0.00107392 0.00211788 7
1872 60 C 30.4991 2.63111 11.1733 0.000184819 -0.00229568 -0.00125066 7
1873 61 C 30.8603 3.38761 9.86059 0.000931225 -0.00414796 -0.00424066 7
1874 62 C 30.5166 2.56869 8.592 0.000335965 0.00262045 0.000154402 7
1875 63 C 30.5334 3.45652 7.34136 -0.00052923 -0.000305687 -0.00293401 7
1876 64 C 30.3162 2.64069 6.02866 0.00321508 -0.000620668 0.00136631 7
1877 65 C 30.4641 3.49688 4.76491 -0.00107887 0.00172485 -0.00384273 7
1878 66 C 30.3204 2.63362 3.51204 0.000993447 -0.00187954 0.00162631 7
1879 67 C 30.3431 3.37158 2.1618 -0.00183309 0.00282901 -0.000719444 7
1880 68 C 30.7409 2.36924 1.05409 -0.00288473 -0.000505793 -0.00087686 7
1881 69 F 27.0694 1.03751 23.0245 0.00054719 -0.00137118 0.00203355 7
1882 70 C 28.6651 -0.0126097 14.5324 -0.00129377 0.00403533 0.00137983 7
1883 71 C 29.329 0.226241 13.1927 -0.000239139 0.00361499 0.00166295 7
1884 72 C 29.5611 -1.06473 12.3231 -0.00142382 -0.000124879 0.00539284 7
1885 73 C 29.9912 -0.863791 10.8901 -0.00214736 -0.00264595 0.00114657 7
1886 74 C 30.6919 -2.08985 10.3141 0.000625532 0.00194848 -0.002552 7
1887 75 C 31.3412 -1.69929 9.00279 5.01182e-05 0.00022783 -0.00169641 7
1888 76 C 30.3148 -1.38598 7.93471 0.000384561 -0.000615048 0.000752201 7
1889 77 C 31.0668 -0.940553 6.6717 -0.00340291 -0.00252862 0.000512623 7
1890 78 C 30.1669 -0.756516 5.45741 0.00246391 0.00286026 -0.00396303 7
1891 79 C 29.9502 -2.09408 4.75397 -0.0042797 -0.00405997 -0.00188929 7
1892 80 C 29.0499 -1.94471 3.46279 0.000153236 -0.00225442 9.91947e-05 7
1893 81 C 29.8476 -1.13862 2.31043 0.00117582 -0.00331285 -0.00131796 7
1894 82 C 27.0123 4.85556 14.3527 0.00435389 0.000119259 -0.00314183 7
1895 83 C 27.4426 5.21878 12.9178 0.00143918 -0.00250207 -0.00112143 7
1896 84 C 27.1308 4.11419 11.9048 0.00307342 3.22204e-05 0.00241023 7
1897 85 C 27.5098 4.48233 10.4781 0.00262423 0.000507445 0.00102591 7
1898 86 C 26.4862 5.2669 9.70905 0.000586499 0.00346629 -0.00242652 7
1899 87 C 26.8774 5.2718 8.2114 -0.00549629 -0.00021794 -0.000303719 7
1900 88 C 25.7138 5.73818 7.29966 0.00283925 -0.00225763 0.0036856 7
1901 89 C 26.118 5.97567 5.82404 0.000220468 -0.00617511 -0.00162343 7
1902 90 C 26.7718 4.79726 5.12326 -0.00156757 0.00131849 -0.0034923 7
1903 91 C 27.3022 5.10669 3.68643 -0.0019637 0.00497082 0.00501825 7
1904 92 C 26.2296 5.80591 2.77563 0.00397077 -0.000656223 -0.00261751 7
1905 93 C 26.5595 5.51804 1.31304 -0.00063785 0.000198653 0.00396645 7
1906 94 C 19.4688 3.45621 33.2424 0.00182867 0.00165435 -6.07445e-05 7
1907 95 C 19.6059 3.35202 34.7619 -0.000197466 0.000496276 0.00228054 7
1908 96 C 18.4124 3.91101 35.536 0.00707786 -0.000377797 -0.000165065 7
1909 97 C 18.5468 3.65707 37.0389 -0.000275005 -8.51008e-05 -0.00110815 7
1910 98 C 17.3616 4.15295 37.8136 0.00381776 -0.00218078 -0.000467874 7
1911 99 C 17.6188 4.26666 39.3725 0.000743507 0.000210975 0.00406033 7
1912 100 C 17.7346 2.91185 40.0891 -0.000202802 -0.00455224 -0.00255925 7
1913 101 C 18.4005 2.91561 41.4869 0.00285851 0.00278072 0.00192536 7
1914 102 C 17.5286 3.37503 42.6472 0.00268887 -1.6138e-05 0.00279618 7
1915 103 C 18.3061 3.14555 43.9656 0.0010472 0.000471329 0.000682468 7
1916 104 C 17.417 3.41874 45.2428 0.00332675 0.00186256 0.00232594 7
1917 105 C 18.2038 3.16174 46.561 -0.00273322 0.00477033 0.00359928 7
1918 106 C 25.5325 6.99415 33.5905 0.00066207 -0.00610517 -0.00229094 7
1919 107 C 25.6329 7.07857 35.1534 -0.00218206 -0.000480719 0.00170449 7
1920 108 C 26.4193 8.30721 35.5463 0.0024624 0.0018427 -0.00115898 7
1921 109 C 26.1464 8.88839 36.9706 -0.00255556 0.00242883 0.00277681 7
1922 110 C 26.0067 7.94787 38.1687 0.00191197 -0.0030007 0.00214186 7
1923 111 C 25.8994 8.70139 39.4829 -4.82712e-05 -0.00388299 -6.29027e-05 7
1924 112 C 25.6151 7.78335 40.6881 0.00546938 -0.00140993 0.00136174 7
1925 113 C 25.6128 8.54306 42.0365 1.08321e-05 -0.00802487 -0.000445197 7
1926 114 C 25.4632 7.63181 43.2832 -0.00176142 -0.00154608 -0.00217524 7
1927 115 C 25.3608 8.43966 44.5436 8.74063e-05 0.000319452 0.00373081 7
1928 116 C 25.58 7.6015 45.8334 0.00359251 0.00128954 0.00271909 7
1929 117 C 25.4114 8.40445 47.162 -0.00387569 -0.000651769 0.000305745 7
1930 118 C 25.5282 -0.0410568 33.5015 0.00193791 0.00107818 -0.00204282 7
1931 119 C 25.2529 -0.244508 35.0217 -0.0022937 -0.00361745 0.000834558 7
1932 120 C 25.9655 -1.50162 35.6044 -0.00653386 -0.00115531 -0.00239419 7
1933 121 C 25.8176 -1.70429 37.1479 -0.00525393 -0.00255701 0.000696932 7
1934 122 C 25.8943 -0.49229 38.0512 -0.00307341 -0.00387252 -0.00015058 7
1935 123 C 25.9993 -0.836696 39.5467 -0.00310775 0.00015303 -0.000396292 7
1936 124 C 25.6386 0.312602 40.5105 -0.000374412 3.42235e-05 0.00389687 7
1937 125 C 25.2845 -0.138114 41.9304 -0.00228729 -0.00254747 -0.00307284 7
1938 126 C 26.3029 -0.950697 42.7429 -0.00218202 -0.00191968 -0.000284692 7
1939 127 C 25.6797 -1.48121 44.0603 -0.00994245 -0.00113608 -0.00272876 7
1940 128 C 25.4886 -0.453359 45.1557 0.000953455 -0.00234682 -0.000483333 7
1941 129 C 24.9218 -1.02864 46.4862 -0.00204795 0.000117599 -0.00219204 7
1942 130 F 25.0894 0.996765 24.9662 -0.0032059 0.000239881 0.000916498 7
1943 131 H 25.6829 7.77775 31.279 -0.00966021 0.00458375 0.0063145 7
1944 132 H 25.8191 7.69766 28.8759 -0.00483775 -0.00339519 0.000592748 7
1945 133 H 25.0609 5.70686 27.6639 0.00877998 -0.00093195 0.00213844 7
1946 134 H 18.7358 3.25352 30.8576 0.000723908 -0.00977279 0.00864475 7
1947 135 H 18.9215 3.18877 28.4647 -0.00995098 -0.0147386 0.0180444 7
1948 136 H 21.1905 3.54081 27.3724 0.0177156 0.00721211 0.000883499 7
1949 137 H 25.8034 -0.795625 31.1847 0.00409497 0.00616224 0.00235873 7
1950 138 H 25.8054 -0.743077 28.7461 -0.0116616 -0.00618366 -0.000370521 7
1951 139 H 24.6992 1.09897 27.5398 0.0054464 -0.00455783 0.00152973 7
1952 140 H 26.9307 5.56013 23.121 0.00152308 -0.00548823 0.00189605 7
1953 141 H 25.3996 5.59414 25.0025 0.0148211 0.00023107 0.00802575 7
1954 142 H 26.6531 -0.69002 19.0342 -0.012367 0.00635017 -0.00220248 7
1955 143 H 27.1917 -0.821075 16.6248 -0.00600906 -0.00638385 0.0138904 7
1956 144 H 27.3973 1.08399 20.4124 -0.0150894 0.00865005 -0.00305023 7
1957 145 H 33.5246 3.13361 19.6576 -0.0158638 -0.00927572 0.0122504 7
1958 146 H 33.6842 3.71095 17.2086 0.00224579 0.0109886 0.00578148 7
1959 147 H 31.3107 3.22922 20.8034 -0.0095375 -0.0126597 0.00525916 7
1960 148 H 26.1762 7.47304 19.1555 -0.00100029 -0.000303918 0.00277063 7
1961 149 H 26.2122 7.42994 16.7015 0.000348097 0.00416465 0.00247362 7
1962 150 H 29.0421 3.58322 15.7146 0.00394138 0.0134312 -0.000314432 7
1963 151 H 27.3102 5.82544 20.4951 0.00630578 0.00453086 -0.00213331 7
1964 152 H 23.4455 3.3707 32.4873 -0.00334009 0.0066691 0.000479029 7
1965 153 H 32.7114 2.45303 14.8591 0.00933054 0.00709991 -0.00842104 7
1966 154 H 30.9465 2.25206 14.7386 -0.000362252 0.00142869 -0.00677505 7
1967 155 H 32.5899 3.01929 12.6842 0.00375772 0.00391592 0.0036148 7
1968 156 H 32.087 4.61218 13.2302 0.0125686 -0.00479508 0.0104985 7
1969 157 H 30.2489 4.53421 12.064 -0.00160803 -0.00235785 -0.00506862 7
1970 158 H 29.6805 3.23626 13.1024 -0.00295209 -0.0141749 -0.0105076 7
1971 159 H 29.5056 2.18534 11.0404 0.00132777 -0.00635613 0.00388836 7
1972 160 H 31.2828 1.8699 11.2714 -0.0020865 -0.00463613 -0.00133487 7
1973 161 H 31.933 3.61182 9.81245 0.000805451 -0.00309102 -0.0021278 7
1974 162 H 30.3533 4.36039 9.85065 -0.0104175 -0.0100183 0.000195647 7
1975 163 H 29.5137 2.13662 8.69614 -0.000582886 0.00737811 0.0110607 7
1976 164 H 31.2001 1.71644 8.49256 -0.00432676 -0.002296 0.0101758 7
1977 165 H 31.4937 3.98389 7.28493 -0.00555272 0.00987282 0.00666124 7
1978 166 H 29.7488 4.22114 7.39754 -0.00415287 -0.00429578 0.000682115 7
1979 167 H 29.3273 2.1666 6.05471 -0.00236356 0.0111848 0.00481232 7
1980 168 H 31.0974 1.87077 6.00915 -0.0039755 -0.007882 0.000555251 7
1981 169 H 31.449 3.97764 4.71787 0.00402444 -0.00907443 -0.00751514 7
1982 170 H 29.7016 4.28473 4.8017 -0.0109978 -0.00810874 0.00133566 7
1983 171 H 29.4171 2.01385 3.56978 -0.0111686 0.0158131 0.00102031 7
1984 172 H 31.1511 1.91722 3.50564 0.000328039 -0.00274947 0.0143615 7
1985 173 H 31.0605 4.19767 2.24129 -0.00336313 0.00536219 -0.0134503 7
1986 174 H 29.3606 3.81212 1.95165 0.000168707 0.00863703 0.0020968 7
1987 175 H 29.9448 1.63713 0.870509 -0.0050118 0.00321264 -0.00650835 7
1988 176 H 31.7042 1.88048 1.24529 -0.0117308 -0.0128562 0.0118466 7
1989 177 H 30.959 2.91867 0.129994 0.00481893 -0.00129948 0.000454733 7
1990 178 H 29.3407 -0.578627 15.1855 -0.0165537 -0.017805 -0.00174152 7
1991 179 H 27.7946 -0.666431 14.3973 -0.0126426 0.0171125 0.0113532 7
1992 180 H 28.6282 0.843559 12.6172 -0.00226849 -0.00711882 -0.00740657 7
1993 181 H 30.2379 0.826963 13.3206 -0.00267353 0.00254017 0.0239744 7
1994 182 H 30.2466 -1.74121 12.8482 0.00591941 -0.00773748 -0.0140136 7
1995 183 H 28.6005 -1.59345 12.288 -0.0054696 0.00780872 -0.00321601 7
1996 184 H 29.0642 -0.641277 10.3474 -0.00044161 0.00373683 0.000871967 7
1997 185 H 30.7193 -0.0454955 10.8292 -0.0106722 0.00402533 -0.0104794 7
1998 186 H 31.4355 -2.42271 11.0487 0.0100456 0.0110212 -0.00799571 7
1999 187 H 29.9593 -2.89855 10.2015 -0.00493903 0.0068799 -0.00185572 7
2000 188 H 32.004 -0.833854 9.1254 0.00231092 -0.00308822 0.00942289 7
2001 189 H 31.9485 -2.57478 8.74181 -0.0131874 -0.00756991 -0.00635787 7
2002 190 H 29.7202 -2.29271 7.76817 -0.000566097 0.00108564 -0.00507888 7
2003 191 H 29.6099 -0.602611 8.23953 -0.00357364 -0.00266488 -0.00311959 7
2004 192 H 31.5822 -0.0255811 6.98895 0.0110651 -0.00820659 -0.006611 7
2005 193 H 31.8761 -1.64798 6.45279 0.00452273 0.00673792 -0.000174322 7
2006 194 H 29.1959 -0.366032 5.78601 0.00683863 0.0138062 -0.00407579 7
2007 195 H 30.6404 -0.0314907 4.78391 -0.0139791 0.0065322 -0.0115587 7
2008 196 H 30.876 -2.57412 4.4136 -0.00247184 6.95404e-05 -0.00279467 7
2009 197 H 29.4029 -2.7336 5.45751 -0.00279685 -0.00317712 6.43561e-05 7
2010 198 H 28.7714 -2.95086 3.12586 -0.00895723 0.000616613 -0.000906498 7
2011 199 H 28.1291 -1.39108 3.6843 0.00431772 0.00151314 0.00800543 7
2012 200 H 30.6667 -1.79662 1.99488 0.0105398 0.00248975 0.0108338 7
2013 201 H 29.1628 -0.900975 1.48704 -0.00378308 0.0192682 0.00925984 7
2014 202 H 30.2779 -0.165378 2.57693 0.00651744 -0.00607484 0.00012628 7
2015 203 H 27.3174 3.81754 14.5339 -0.000433418 -0.00199384 -0.00721263 7
2016 204 H 25.9347 5.03247 14.4575 0.00396412 0.000897276 -0.0084283 7
2017 205 H 26.9913 6.18512 12.6611 -0.01119 -0.00929856 -0.00448077 7
2018 206 H 28.5276 5.36316 12.9913 -0.000129931 0.00356992 0.0103473 7
2019 207 H 27.6444 3.18182 12.1699 0.00715259 0.00209774 0.00175566 7
2020 208 H 26.0712 3.83225 11.9383 0.00564759 -0.0107586 -0.00672006 7
2021 209 H 28.4458 5.05415 10.4977 0.00539732 -0.00400057 0.000296281 7
2022 210 H 27.7431 3.54014 9.96702 -0.00125839 -0.00448702 0.00845025 7
2023 211 H 25.4777 4.87501 9.8898 0.0011559 0.00198152 -0.00249256 7
2024 212 H 26.3654 6.29667 10.0674 0.00620372 0.00195043 0.00376443 7
2025 213 H 27.7937 5.8596 8.07592 -0.000136059 -0.00987369 -0.00594127 7
2026 214 H 27.0701 4.238 7.89908 -0.0176479 0.00174224 -0.0143893 7
2027 215 H 24.8692 5.03815 7.30948 -0.00267154 0.00447782 0.0104682 7
2028 216 H 25.2971 6.68387 7.66764 0.000142949 -0.00998421 0.0204394 7
2029 217 H 25.2109 6.24785 5.27053 0.00564915 0.0133186 -0.000941215 7
2030 218 H 26.7728 6.85403 5.76745 -0.00724969 -0.000391089 0.00158737 7
2031 219 H 27.6189 4.44218 5.72299 0.000738593 0.0058999 -0.00403588 7
2032 220 H 26.0716 3.95531 5.05783 0.000923313 -0.0021936 0.0151112 7
2033 221 H 28.2471 5.66283 3.72272 -0.00663287 0.012872 0.00513969 7
2034 222 H 27.6032 4.12711 3.29494 0.000844086 0.0058571 0.00495456 7
2035 223 H 25.2226 5.42764 2.99055 0.00131726 0.00445743 -0.00604712 7
2036 224 H 26.2016 6.89141 2.93156 -0.0171901 -0.00282458 0.00863715 7
2037 225 H 26.7837 4.45888 1.13609 -0.00193523 0.00260794 -0.0122383 7
2038 226 H 25.7137 5.72156 0.644742 0.00139614 -0.00916753 -0.00148474 7
2039 227 H 27.4372 6.07322 0.95982 -0.000481307 -0.000335352 0.00351248 7
2040 228 H 19.0466 4.42239 32.9396 -0.00195441 -0.00518168 -0.0166391 7
2041 229 H 18.7954 2.66758 32.8846 -0.00394034 0.00652399 4.28608e-05 7
2042 230 H 19.735 2.29739 35.0349 0.00534088 0.00250644 0.00745269 7
2043 231 H 20.5537 3.76303 35.1308 -0.000747694 0.00413504 -0.000388572 7
2044 232 H 18.472 4.99327 35.367 0.0138066 -0.00188513 -0.00744921 7
2045 233 H 17.4554 3.57479 35.1182 0.011529 0.0111615 -0.0197148 7
2046 234 H 18.6454 2.57926 37.2178 -0.000517488 -0.00277026 -0.0171801 7
2047 235 H 19.4514 4.12205 37.4499 -0.0040954 0.00287605 0.0039619 7
2048 236 H 17.1691 5.19928 37.5461 0.00242875 -0.00423688 -0.00742146 7
2049 237 H 16.494 3.52795 37.5682 -0.00524828 0.0138926 -0.00930695 7
2050 238 H 18.5364 4.84709 39.5291 -0.00834362 0.0131026 0.00952149 7
2051 239 H 16.8273 4.85563 39.8522 -0.00849858 -0.0101008 0.00145333 7
2052 240 H 16.7436 2.46227 40.2274 -0.00292977 0.00131728 -0.00301911 7
2053 241 H 18.3445 2.24539 39.4667 -0.0035383 -0.00555996 -0.00474139 7
2054 242 H 18.6822 1.87581 41.6939 -0.0069657 -0.00346989 -0.0160412 7
2055 243 H 19.3386 3.48083 41.4243 0.00826936 -0.00747995 -0.00993582 7
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2203 89 C 34.7851 13.4356 6.42967 0.00494195 0.00260419 -0.00107852 8
2204 90 C 34.5308 14.0448 5.05537 0.00011632 -0.0010521 -0.00290706 8
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2206 92 C 34.8499 14.0185 2.58905 0.000779245 0.00302108 0.00570217 8
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2212 98 C 22.274 10.2349 37.7925 -0.000829286 -0.00241751 0.00201363 8
2213 99 C 21.4512 9.83503 39.0381 -0.000580141 -0.000981662 0.000278397 8
2214 100 C 22.2179 9.79007 40.3487 -0.000934513 0.000186724 0.00345507 8
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2240 126 C 29.8722 5.88751 43.3302 -0.00198836 0.00110386 -0.00194609 8
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2242 128 C 29.9055 5.7014 45.8924 0.00171328 -0.00328937 0.00309773 8
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2341 227 H 35.2067 14.0435 0.478388 0.00486176 0.013631 0.00801747 8
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2344 230 H 23.2051 8.74363 35.0307 0.0174141 0.00334783 0.00926929 8
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2350 236 H 23.1705 9.61768 37.6557 -0.0034444 -0.00644955 0.0030933 8
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2353 239 H 20.9844 8.86628 38.8213 -0.00592502 -0.00151122 0.0143111 8
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2357 243 H 20.4603 9.0829 41.4359 -0.00327197 0.00788481 -0.00785891 8
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2361 247 H 20.2446 8.80594 44.0198 -0.00178131 -0.00563494 0.00642946 8
2362 248 H 20.7702 9.23608 46.1999 0.0123975 -0.0114219 0.0076082 8
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2368 254 H 27.7806 14.7327 33.6658 0.00125259 0.00291764 0.000593757 8
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2381 267 H 30.0705 13.8644 42.629 0.01305 0.00459535 0.00614708 8
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2387 273 H 28.1188 16.3334 46.3605 0.00181246 2.57199e-06 0.00433438 8
2388 274 H 27.401 14.8055 45.9528 -0.00770001 0.00249904 0.0136514 8
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2394 280 H 29.5698 5.22675 33.665 -0.00470838 -0.00192721 -0.00410787 8
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2401 287 H 30.4879 5.11617 38.3164 -0.000901631 -0.000392664 0.00129161 8
2402 288 H 28.4536 5.42585 39.4668 0.000537737 -0.00241207 0.0126337 8
2403 289 H 28.5948 7.15016 39.6302 0.0129078 0.00757828 -0.00713497 8
2404 290 H 30.6386 6.8908 41.0535 -0.00624107 0.00418965 0.00604339 8
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2407 293 H 28.5273 6.97889 42.1339 -0.00502262 0.00109967 0.00231419 8
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2418 2 C 33.4361 6.64095 29.6219 -0.00652359 0.00327344 0.00538035 9
2419 3 C 32.9272 5.54569 28.9385 -0.00114763 0.00245514 0.00109456 9
2420 4 C 32.2062 4.57651 29.6452 0.0025348 0.00427445 0.00113697 9
2421 5 C 32.0167 4.67176 31.0668 0.00237495 -0.000570909 -0.00336765 9
2422 6 C 32.4792 5.8345 31.7375 -0.00337377 0.0046694 -0.00205948 9
2423 7 C 27.5416 3.32364 30.2997 -0.000756407 0.00405417 -0.000649991 9
2424 8 C 27.8124 3.24584 28.9378 0.00129527 0.000501117 -0.00407001 9
2425 9 C 29.0984 3.22218 28.4503 -0.00124592 0.000407776 0.000726822 9
2426 10 C 30.1664 3.28841 29.3644 -0.00214404 0.00529759 0.0012767 9
2427 11 C 29.892 3.36896 30.7786 0.000328415 0.00038816 0.000127794 9
2428 12 C 28.5476 3.37361 31.2722 -0.00449229 0.00189366 0.00167899 9
2429 13 C 33.3454 0.133307 31.4028 0.000856483 0.0014052 -0.00259999 9
2430 14 C 33.572 0.142972 30.0026 0.00203101 0.000503359 -0.00110518 9
2431 15 C 33.0604 1.17376 29.2366 -0.00318386 0.00666939 0.00434894 9
2432 16 C 32.2784 2.16287 29.83 -0.00170398 -8.73292e-05 0.000261015 9
2433 17 C 31.6542 3.28948 29.0111 0.00303669 -0.00126015 0.00800037 9
2434 18 O 32.2649 1.02374 33.3449 -0.000593798 0.00434707 0.00179854 9
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2436 20 O 32.3545 6.02638 33.1368 0.00438329 0.00225144 -0.00286139 9
2437 21 C 32.5741 1.12123 32.0127 0.00193759 0.0051574 0.00233674 9
2438 22 C 31.9969 3.23781 27.5692 -0.00154662 0.000961352 -0.000925584 9
2439 23 C 32.5106 3.25089 26.4772 0.00271655 -0.00136699 0.00175332 9
2440 24 C 33.2908 3.17115 25.2843 0.00306744 -0.00264562 0.00146919 9
2441 25 C 33.4993 1.93954 24.5825 0.00050241 -0.00511357 -0.000310853 9
2442 26 C 34.3193 1.91467 23.4346 -0.000685072 0.00343358 0.000225935 9
2443 27 C 35.0672 3.03486 23.0886 0.00373521 -0.000341148 -0.000745547 9
2444 28 C 34.9191 4.21336 23.8348 0.00187306 -0.00279351 -7.9939e-05 9
2445 29 C 34.0819 4.28111 24.9165 0.00661888 0.00316639 -0.000897888 9
2446 30 C 35.8213 3.10329 21.8712 0.00224313 0.000446319 0.000940954 9
2447 31 C 36.281 3.18501 20.748 -0.00351282 0.00521243 0.00384253 9
2448 32 C 35.062 -0.168319 18.3473 -0.00147185 -0.00300292 -0.00452519 9
2449 33 C 35.2921 -0.145563 16.9708 0.00209046 -0.00167753 -0.000339024 9
2450 34 C 35.8885 0.966857 16.3762 0.000320056 -0.00302456 -0.00126875 9
2451 35 C 36.2987 2.04903 17.1827 -0.00230546 0.000703788 0.00427806 9
2452 36 C 36.0825 2.01318 18.5756 -0.000713393 -0.000349081 0.00545002 9
2453 37 C 35.4023 0.904416 19.1295 0.00529975 -0.00233332 0.000371962 9
2454 38 C 36.5956 3.27472 19.3198 -0.00209437 -0.00385981 0.00524031 9
2455 39 C 40.4578 3.68878 19.1317 -0.00246859 0.00233947 0.00237164 9
2456 40 C 40.6355 3.8421 17.7403 0.000685563 0.00108024 -0.00443105 9
2457 41 C 39.4959 3.76295 16.8961 -0.00302223 -0.00129766 0.00431331 9
2458 42 C 38.235 3.48012 17.455 -0.00515672 0.000518055 0.00436018 9
2459 43 C 38.0617 3.41648 18.8654 0.000879697 -0.000445561 0.00296873 9
2460 44 C 39.1851 3.50484 19.7194 0.00534528 0.000815639 0.000617535 9
2461 45 C 34.7648 6.56998 18.4364 0.00494394 -0.00272065 -0.00391864 9
2462 46 C 34.9075 6.5633 17.0449 -0.00160523 -0.000859651 0.00161438 9
2463 47 C 35.512 5.46371 16.4207 0.00433845 0.00314739 -0.0013474 9
2464 48 C 36.0288 4.44317 17.2318 0.00388415 0.0024374 0.00149864 9
2465 49 C 36.9176 3.34067 16.6946 0.00136435 0.000221539 -0.000370953 9
2466 50 C 35.8564 4.43307 18.6333 -0.000355869 0.00133171 0.00464179 9
2467 51 C 35.201 5.50377 19.2333 -0.00326993 0.000307092 0.000341361 9
2468 52 O 39.6425 4.13296 15.5851 -0.000920036 -0.00392919 -0.000399709 9
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2471 55 C 31.1839 3.44586 31.6489 0.00757988 0.000656921 0.00365918 9
2472 56 C 32.0332 2.19474 31.2092 0.00102547 -0.00178466 0.00221466 9
2473 57 C 39.6523 3.17728 14.5125 -0.00319089 -0.00454607 0.000187894 9
2474 58 C 39.2638 3.8872 13.2176 0.0019533 0.00186713 0.000501855 9
2475 59 C 38.8495 2.94905 12.0379 -1.85369e-05 0.00234132 0.00254061 9
2476 60 C 38.7338 3.62016 10.6494 0.000747148 0.00498846 -7.40375e-05 9
2477 61 C 38.4817 2.71519 9.43105 -0.00104272 0.00281976 -0.00196483 9
2478 62 C 38.4773 3.48564 8.0802 0.000389493 -0.00141287 0.000834367 9
2479 63 C 38.1027 2.58323 6.8869 -0.00221883 -0.00282421 0.00199118 9
2480 64 C 38.0151 3.25933 5.49773 0.00309637 0.000520653 -0.00289723 9
2481 65 C 37.5231 2.30792 4.41912 -0.000989411 -0.000612677 -0.00034318 9
2482 66 C 38.3502 2.22142 3.11575 -0.00137954 0.00262719 -0.00183105 9
2483 67 C 38.6008 3.59013 2.43222 -0.000656659 -0.00183641 0.000352563 9
2484 68 C 39.1683 3.40457 1.0289 -0.00204794 0.00421364 0.000378597 9
2485 69 F 34.3308 0.759404 22.7088 0.00060604 0.000513511 -0.00142894 9
2486 70 C 37.2141 0.509413 14.4113 0.00180623 -9.53538e-05 0.000955017 9
2487 71 C 37.225 -1.02282 14.1848 -0.002932 -0.00248986 0.000757532 9
2488 72 C 38.1291 -1.37973 13.0134 0.000743751 0.00261926 -0.00144474 9
2489 73 C 37.6144 -1.21985 11.5446 0.00169806 0.00276557 -0.00334462 9
2490 74 C 38.5653 -1.93833 10.5431 0.00609099 0.00156708 0.0016173 9
2491 75 C 38.1358 -1.90778 9.05409 -0.00197351 -0.00299637 -0.000716865 9
2492 76 C 38.6334 -0.762649 8.22428 0.00257906 0.00551769 -0.00570579 9
2493 77 C 38.9689 -1.05477 6.73348 -0.00234553 -0.00299024 -0.00381514 9
2494 78 C 37.7923 -1.34078 5.80285 4.35079e-05 -0.000524894 -0.00138828 9
2495 79 C 38.2617 -1.65211 4.40099 0.000339466 0.000952462 -0.00122748 9
2496 80 C 37.1531 -1.89586 3.3527 0.000201043 0.00135199 0.000277706 9
2497 81 C 37.7653 -2.28945 2.0261 -0.000422018 0.00239095 -0.00431951 9
2498 82 C 34.8524 4.46357 14.3593 -0.00345235 6.56283e-05 -0.00162626 9
2499 83 C 35.2377 4.37664 12.8795 0.00138205 0.000867651 0.00169213 9
2500 84 C 34.7263 5.61577 12.1324 0.000274478 4.73806e-05 0.00476717 9
2501 85 C 33.9301 5.34591 10.825 0.000284004 -0.00140248 0.00284414 9
2502 86 C 34.7219 4.66634 9.66011 0.00208008 -0.00422205 -0.00335406 9
2503 87 C 34.3686 5.33581 8.32181 0.0039567 0.000388805 0.000786886 9
2504 88 C 34.6421 4.48774 7.04284 -0.000223807 -0.000987982 -0.00108274 9
2505 89 C 34.1547 5.19755 5.78747 0.00230495 -0.00363245 0.00437642 9
2506 90 C 34.4235 4.44277 4.44933 -0.00221857 -0.00102023 0.00231031 9
2507 91 C 33.8621 5.1546 3.19144 -0.000282378 -0.000353601 0.000426498 9
2508 92 C 33.7396 4.26761 1.94452 -0.000566819 -0.00352721 -0.000788489 9
2509 93 C 35.0871 3.72036 1.51083 -0.000962763 -0.00117246 0.00108643 9
2510 94 C 26.9265 3.69792 33.1144 -0.00215142 0.00290813 0.000187184 9
2511 95 C 26.7461 3.38304 34.6033 -0.00167686 0.00219784 0.00268798 9
2512 96 C 25.3083 3.51624 35.0993 0.000557532 -0.000106569 -0.00352675 9
2513 97 C 25.2251 3.17963 36.6034 -0.00373111 -0.00204186 0.00246324 9
2514 98 C 25.7014 4.14671 37.6514 -0.000716605 0.000721092 -0.000364921 9
2515 99 C 25.4439 3.46511 39.0513 -0.00213133 -0.00137476 0.00293391 9
2516 100 C 25.6802 4.32305 40.3346 -0.000281729 -0.000212494 -0.00154478 9
2517 101 C 25.5184 3.47267 41.6048 -0.000324972 0.00341716 -0.000846985 9
2518 102 C 25.5123 4.16689 42.9844 0.00366522 -0.00225335 -0.00290279 9
2519 103 C 25.5404 3.16988 44.1802 0.00221581 -0.00031807 -0.00271691 9
2520 104 C 25.6633 3.84314 45.532 0.00208489 -0.00414506 -0.00191919 9
2521 105 C 25.5439 2.77142 46.6186 -0.000364334 0.00465635 0.000715843 9
2522 106 C 33.0352 7.20552 33.6751 0.000470682 -0.00197583 -0.00254821 9
2523 107 C 32.898 7.53189 35.1879 0.00112318 -9.9556e-05 -0.00418795 9
2524 108 C 33.9241 8.64708 35.6075 0.00135647 0.00289711 0.00349993 9
2525 109 C 33.9223 9.21241 37.0454 0.000811975 -0.00108535 -0.00064199 9
2526 110 C 33.9293 8.16402 38.2164 0.0054455 -0.00209665 0.00420407 9
2527 111 C 33.8264 8.82741 39.6329 -0.00223497 -0.000783679 0.000920276 9
2528 112 C 33.5244 7.82159 40.7623 -0.00398108 0.000692422 0.00158459 9
2529 113 C 33.0544 8.43346 42.1235 -0.00262712 -0.000192129 -0.000598095 9
2530 114 C 34.1716 9.04827 42.9732 5.62106e-05 0.000164726 -0.00411989 9
2531 115 C 33.7218 9.41095 44.3967 0.00226347 0.000329938 -0.00446178 9
2532 116 C 33.5495 8.21262 45.2851 -0.00175516 -0.000358872 0.00815119 9
2533 117 C 33.7326 8.5135 46.787 0.00126545 -7.27326e-06 0.00243649 9
2534 118 C 32.9529 0.0815591 34.1803 -0.00218552 0.0012327 -0.00346442 9
2535 119 C 32.3752 0.083398 35.6309 -0.0017541 0.000605967 -0.00230206 9
2536 120 C 33.254 -0.650066 36.6597 0.00148515 0.00121221 -0.000958426 9
2537 121 C 32.8592 -0.375513 38.1058 0.00036718 -3.09934e-05 0.000424909 9
2538 122 C 34.0194 -0.773429 39.1176 -0.00380191 0.00034898 -0.00191873 9
2539 123 C 34.019 0.0596643 40.4422 0.000937021 -0.00292728 -0.00228964 9
2540 124 C 32.9288 -0.267795 41.4699 -0.000440475 -0.00579066 0.00239566 9
2541 125 C 33.2118 -1.62 42.1405 -0.00447658 0.00134321 0.000602632 9
2542 126 C 32.8409 -1.6391 43.6446 -0.00227417 0.00289591 -0.0019492 9
2543 127 C 33.8868 -0.994656 44.5424 0.00389871 0.00292288 0.00429018 9
2544 128 C 33.723 -1.23243 46.0887 -0.00387622 0.000644359 -0.00030797 9
2545 129 C 32.6389 -0.481849 46.8301 -0.00541248 0.000985152 0.00209131 9
2546 130 F 32.6922 0.882989 24.8678 0.000741473 0.000813761 0.00358763 9
2547 131 H 33.6572 7.6444 31.4309 -0.00778946 -0.00167055 0.0050746 9
2548 132 H 33.9776 7.41867 29.0915 0.0166072 -0.00979268 0.00988099 9
2549 133 H 33.1361 5.53075 27.8729 0.00171303 0.00294391 0.001644 9
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2551 135 H 26.9897 3.25867 28.229 -0.00327269 0.0127327 0.00144075 9
2552 136 H 29.2729 3.20069 27.3787 0.00927165 0.00570422 0.00232655 9
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2555 139 H 33.3104 1.074 28.1845 -0.0128079 -0.00450831 0.0031046 9
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2557 141 H 33.9897 5.19794 25.4913 -0.00764041 -0.00469517 0.00940959 9
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2563 147 H 39.025 3.38733 20.7871 -0.0133038 0.020415 7.23523e-06 9
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2565 149 H 34.5356 7.39279 16.4507 0.0079242 0.00295529 0.000983599 9
2566 150 H 37.0427 3.41355 15.6072 0.00817121 0.00953255 0.00102663 9
2567 151 H 35.1341 5.60289 20.3127 0.0105019 0.00345543 0.000913423 9
2568 152 H 31.0245 3.46115 32.7342 0.0127858 0.0076869 0.00432349 9
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2570 154 H 38.8939 2.40992 14.711 -0.0149294 0.00708304 0.000351988 9
2571 155 H 40.1098 4.50247 12.8872 0.00619136 -0.015491 -0.0210122 9
2572 156 H 38.438 4.57728 13.4304 -0.00447254 -0.00691879 0.00403794 9
2573 157 H 37.8167 2.63248 12.2287 -0.00141876 0.00787817 0.00419898 9
2574 158 H 39.4851 2.05595 11.9951 0.00693743 0.00756907 -0.00318736 9
2575 159 H 39.6646 4.17919 10.4925 0.00301964 0.000925605 -0.00108042 9
2576 160 H 37.8858 4.31514 10.6855 -0.00488432 -0.00158784 -0.00536801 9
2577 161 H 37.533 2.18302 9.57273 0.0030957 8.46759e-05 0.0155227 9
2578 162 H 39.2519 1.93515 9.38881 -0.0124953 -0.00871428 0.00198832 9
2579 163 H 39.4809 3.89878 7.92074 0.00448108 -0.0101295 0.00392303 9
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2583 167 H 38.924 3.81945 5.24569 -3.08167e-05 0.00926096 0.00513039 9
2584 168 H 37.2688 4.05883 5.58336 0.00372577 0.00147564 -0.00636294 9
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2586 170 H 37.5082 1.26917 4.77152 -0.00730247 0.00349822 0.0114054 9
2587 171 H 37.8352 1.50486 2.46403 0.000677379 0.00124727 -0.00193831 9
2588 172 H 39.3342 1.80489 3.36393 -0.00212784 -0.00264244 -0.00774507 9
2589 173 H 39.3554 4.05988 3.07516 -0.00472631 0.000220668 0.00363398 9
2590 174 H 37.7054 4.21805 2.51787 -0.00418787 -0.00743878 0.00466158 9
2591 175 H 39.2595 4.35436 0.487615 -0.00277209 -0.002188 -0.0109971 9
2592 176 H 38.544 2.72395 0.436956 0.00445052 0.000375467 -0.00207163 9
2593 177 H 40.1767 2.97267 1.03391 -0.00415812 -0.000861284 -0.00965284 9
2594 178 H 37.3396 0.962906 13.4203 -8.73906e-05 -0.00676237 -0.00234614 9
2595 179 H 38.0502 0.793361 15.0622 -0.00637271 0.0118234 0.00628943 9
2596 180 H 37.6168 -1.47089 15.1063 0.00968414 0.00209553 -0.00237289 9
2597 181 H 36.2184 -1.42962 14.0278 -0.00577256 0.00228331 0.00665777 9
2598 182 H 39.075 -0.827464 13.0748 0.00459197 -0.00263036 -0.0131259 9
2599 183 H 38.3724 -2.44705 13.0844 0.0075501 0.00524393 0.0141264 9
2600 184 H 36.6009 -1.62838 11.4477 0.00503875 -0.00328033 -0.012746 9
2601 185 H 37.5447 -0.147763 11.3228 0.0132641 -0.000531142 -0.0228044 9
2602 186 H 39.5666 -1.49344 10.596 0.0121942 -0.00989678 -0.0169095 9
2603 187 H 38.8395 -2.95081 10.8642 0.0174026 0.00280845 -0.00400695 9
2604 188 H 38.5221 -2.82861 8.59995 -0.00240253 -0.00161726 -0.00387653 9
2605 189 H 37.0431 -1.94539 8.96428 -0.000137049 -0.00312977 -0.023074 9
2606 190 H 37.9156 0.0562502 8.35684 -7.01038e-05 0.00281051 -0.00328639 9
2607 191 H 39.5697 -0.460666 8.70959 0.00247107 0.000419936 -0.00230344 9
2608 192 H 39.5467 -0.27019 6.22955 0.00705931 0.00186475 0.0146199 9
2609 193 H 39.6606 -1.90552 6.6989 -0.00140107 -0.00217039 -0.00514391 9
2610 194 H 37.2456 -2.2119 6.18454 0.00267767 0.00535095 0.0157993 9
2611 195 H 37.0817 -0.505793 5.83757 0.000539618 0.000113403 -0.00688865 9
2612 196 H 38.8883 -0.813235 4.07385 0.00418819 0.00175186 0.00816904 9
2613 197 H 38.9704 -2.48906 4.42414 0.000596391 0.00113206 -0.00254594 9
2614 198 H 36.5434 -2.74099 3.69545 -0.00371691 0.00598242 0.00470418 9
2615 199 H 36.5054 -1.03618 3.14081 0.0025703 0.00287642 -0.00076315 9
2616 200 H 38.4316 -1.48964 1.6801 -0.00675154 0.00577429 -0.00866592 9
2617 201 H 38.3542 -3.21256 2.09294 0.00675473 0.0063601 -0.0126086 9
2618 202 H 36.9963 -2.51366 1.27662 -0.0103234 0.00220504 0.0059046 9
2619 203 H 35.0094 3.49002 14.8399 -0.00563244 -0.00189279 -0.00489984 9
2620 204 H 33.8136 4.79417 14.4822 -0.00462185 -0.00593863 0.00458055 9
2621 205 H 36.3219 4.2858 12.7387 0.00268055 -0.00711618 0.0169143 9
2622 206 H 34.7684 3.4578 12.5069 0.00129663 -0.00115458 0.00676645 9
2623 207 H 34.0495 6.23527 12.7338 -0.00681409 0.00598222 -0.00924644 9
2624 208 H 35.5684 6.25132 11.8319 -0.00343198 0.00145742 -0.00268609 9
2625 209 H 33.0279 4.77501 11.0768 0.00431034 -0.00824069 0.00178338 9
2626 210 H 33.61 6.34228 10.4961 -0.0109779 -0.00821122 -0.00674306 9
2627 211 H 35.8117 4.70062 9.78049 0.00255545 -0.0107728 -0.0056894 9
2628 212 H 34.5145 3.58952 9.63092 -0.00604062 -0.00257027 -0.00599995 9
2629 213 H 33.2782 5.45573 8.32101 0.00560534 0.0152603 -0.00774676 9
2630 214 H 34.8258 6.32811 8.22318 0.0117397 -0.0030536 0.00230692 9
2631 215 H 35.6922 4.178 6.97461 -0.000330078 -0.00196446 0.0016782 9
2632 216 H 34.1315 3.51757 7.08177 -0.0046464 0.00128718 -0.00257214 9
2633 217 H 33.0786 5.38926 5.8808 0.0031309 0.00364154 -0.000947991 9
2634 218 H 34.6448 6.17886 5.80385 -0.00221281 -0.00145663 0.00989369 9
2635 219 H 35.5058 4.36764 4.28665 -0.00224571 -0.00726867 0.00504601 9
2636 220 H 33.9855 3.44074 4.53556 -0.00193809 -0.002279 -0.0109941 9
2637 221 H 32.8403 5.51348 3.36605 -0.000221335 0.00129777 -0.0025799 9
2638 222 H 34.4462 6.05144 2.95079 -0.00573979 0.00872744 0.0210697 9
2639 223 H 33.0503 3.43602 2.13628 -0.00178394 0.000722331 0.0132393 9
2640 224 H 33.3466 4.81581 1.07941 0.000119314 -0.000523084 0.000807965 9
2641 225 H 35.5941 3.11634 2.27342 -0.00111823 -0.00359361 -0.000728404 9
2642 226 H 34.9418 3.10166 0.616686 -0.00723192 -0.0038217 0.00393899 9
2643 227 H 35.7677 4.53119 1.22307 -0.00775826 0.00317084 -0.00273854 9
2644 228 H 26.7314 4.75927 32.9173 -0.0068363 0.00122267 -0.00427198 9
2645 229 H 26.183 3.14236 32.5297 -0.000784725 0.0201972 -0.0180755 9
2646 230 H 27.0491 2.34722 34.8 0.00613811 0.00425578 0.00150048 9
2647 231 H 27.4647 4.01328 35.1417 -0.00845705 0.00870172 0.00408699 9
2648 232 H 24.8666 4.50613 34.9307 0.0225876 0.00684703 -0.0202238 9
2649 233 H 24.6707 2.82653 34.5326 0.00682328 -0.00104459 -0.00943546 9
2650 234 H 24.1656 2.99562 36.82 -0.00901563 0.00803327 -0.0147983 9
2651 235 H 25.7891 2.26118 36.8077 0.00422608 0.000197349 -0.00943123 9
2652 236 H 26.7609 4.38066 37.4899 -0.00182292 0.00127071 -0.00684551 9
2653 237 H 25.1562 5.09774 37.6096 0.0061598 0.00529241 0.013373 9
2654 238 H 24.4139 3.09351 39.1175 -0.00301865 0.00129849 0.00415862 9
2655 239 H 26.0998 2.58589 39.0665 0.0111199 0.00840861 -0.00232274 9
2656 240 H 26.6409 4.84734 40.2601 0.00603274 -0.0109926 0.00434726 9
2657 241 H 24.8911 5.08349 40.3848 -0.00173092 -0.00161673 -0.00304021 9
2658 242 H 24.6101 2.87397 41.4632 0.0149388 -0.0150567 -0.0208896 9
2659 243 H 26.3888 2.80495 41.603 -0.00654023 -0.0046746 -0.00336767 9
2660 244 H 26.4142 4.78787 43.0513 6.88373e-05 0.00340871 -0.00694729 9
2661 245 H 24.6719 4.86757 43.0631 -0.00342703 -0.0111185 0.000111858 9
2662 246 H 24.6525 2.52683 44.2188 -0.00374831 0.00842105 0.00559149 9
2663 247 H 26.365 2.47575 43.9762 0.00245006 -0.000379751 -0.00154565 9
2664 248 H 26.5905 4.42659 45.5884 0.000267607 -0.00171004 0.0027161 9
2665 249 H 24.8379 4.54766 45.6928 0.00264632 -0.00469005 0.00338268 9
2666 250 H 25.6598 3.26363 47.5921 0.00663457 -0.00972657 0.00714809 9
2667 251 H 24.5792 2.24942 46.6046 -0.00779326 0.0186896 -0.00954299 9
2668 252 H 26.332 2.013 46.5345 -0.0111303 -0.00674461 0.00257375 9
2669 253 H 34.1042 7.12393 33.4429 -0.00318504 -0.00560727 -0.0180781 9
2670 254 H 32.6497 8.11671 33.2012 -0.00362479 0.00202089 0.00841677 9
2671 255 H 31.8744 7.87724 35.3786 -0.00378792 -0.0165644 -0.000828398 9
2672 256 H 33.0841 6.62428 35.7753 -0.00998592 -0.000787349 -0.0017407 9
2673 257 H 34.9094 8.19038 35.4523 -0.00830729 -0.0113471 -0.0161567 9
2674 258 H 33.8882 9.4822 34.8971 -0.0078869 0.00185649 0.00274385 9
2675 259 H 34.799 9.86441 37.1434 0.0087455 -0.0121921 0.00228404 9
2676 260 H 33.0455 9.8567 37.1848 -0.00457602 -0.0109423 0.0111073 9
2677 261 H 33.0752 7.49376 38.0591 -0.006342 0.0129114 0.00423112 9
2678 262 H 34.8321 7.55162 38.1008 0.0018905 -0.00397208 -0.0139137 9
2679 263 H 34.7688 9.34515 39.8502 -0.00674288 0.00271276 0.0120945 9
2680 264 H 33.0572 9.60631 39.5623 -0.015331 -0.0133904 0.00474863 9
2681 265 H 32.7602 7.09897 40.4505 0.00454791 -0.00453062 -0.00717023 9
2682 266 H 34.4516 7.26979 40.9604 0.00133139 0.00723716 -0.00499705 9
2683 267 H 32.3426 9.24275 41.9191 -0.00187619 0.0024451 0.00722897 9
2684 268 H 32.5146 7.66419 42.6894 0.00819996 -0.00142822 0.00802783 9
2685 269 H 35.0165 8.34894 42.9957 -0.00263056 -0.00277243 0.00517373 9
2686 270 H 34.5379 9.96947 42.5035 0.00131004 -0.00363343 -0.0105763 9
2687 271 H 34.4652 10.0866 44.8375 0.00767311 -0.00407485 -0.00682458 9
2688 272 H 32.7443 9.90607 44.3446 -0.00269051 -0.0100319 -0.0104403 9
2689 273 H 32.5339 7.85014 45.0836 -0.00214669 0.00266398 0.00465935 9
2690 274 H 34.2123 7.38121 45.0151 -0.0103406 -0.00128352 -0.010059 9
2691 275 H 34.7637 8.80422 47.0229 0.00391444 -0.00565867 -0.00219657 9
2692 276 H 33.0986 9.36439 47.0651 -0.0125152 -0.0112737 0.00546689 9
2693 277 H 33.4507 7.66945 47.4285 -0.00553301 0.00896364 0.0112759 9
2694 278 H 32.9156 -0.937522 33.776 0.000744905 0.00159756 -0.00465721 9
2695 279 H 34.0013 0.402305 34.2187 -0.00318539 0.00342278 0.00566558 9
2696 280 H 31.3445 -0.291219 35.6585 -0.00424475 0.00810194 0.00684924 9
2697 281 H 32.2737 1.11685 35.9846 0.00388223 0.00605264 -0.0166521 9
2698 282 H 34.2928 -0.310259 36.5661 0.00236555 -0.000371412 0.00303317 9
2699 283 H 33.2051 -1.72506 36.4466 -0.00246303 0.00322153 -0.0102384 9
2700 284 H 31.9157 -0.852239 38.3992 0.00420747 4.86883e-05 0.0129671 9
2701 285 H 32.6895 0.700999 38.2313 0.000179101 0.000131407 -0.0012416 9
2702 286 H 35.0195 -0.677517 38.6771 -0.000800543 0.00318731 0.00549648 9
2703 287 H 33.9012 -1.84186 39.3364 0.00760573 -0.00150215 -0.00479414 9
2704 288 H 33.9519 1.11582 40.1534 -0.0188255 -0.00297492 0.00213702 9
2705 289 H 34.9732 -0.101998 40.9586 0.00366566 -0.000171016 -0.00648385 9
2706 290 H 31.9278 -0.321653 41.0244 -0.00182863 0.00443087 0.0042956 9
2707 291 H 32.8917 0.502731 42.2498 0.0111008 -0.0123009 0.00938534 9
2708 292 H 34.2725 -1.87723 42.0306 -0.00862066 -0.0124763 -0.00715907 9
2709 293 H 32.6997 -2.41972 41.5912 -0.00424224 0.00117737 0.000625064 9
2710 294 H 32.7104 -2.68134 43.961 -0.00667748 0.00807806 0.0132852 9
2711 295 H 31.8762 -1.12136 43.7129 -0.00170304 0.00440068 -0.0051685 9
2712 296 H 33.8793 0.0779485 44.3125 -0.010377 0.00263231 0.00337585 9
2713 297 H 34.8874 -1.35132 44.2683 0.00365192 0.00926642 -0.00485541 9
2714 298 H 34.6634 -1.08369 46.6337 -0.00309937 0.000742526 -0.00167902 9
2715 299 H 33.5303 -2.30869 46.1776 -0.01498 0.00207636 -0.00703583 9
2716 300 H 32.6633 0.582932 46.5673 0.00861408 0.000536918 0.00166597 9
2717 301 H 32.6097 -0.617269 47.9183 0.0165489 0.00747629 0.00343725 9
2718 302 H 31.6565 -0.828396 46.4862 -0.00126272 -0.000299451 -0.00844767 9
2719 1 C 37.152 13.5202 31.2343 0.000244731 -0.00030796 0.0040177 10
2720 2 C 37.2086 13.4421 29.878 -0.00460677 -0.00335635 -0.00248549 10
2721 3 C 36.5917 12.4148 29.2187 0.00227677 -0.000173902 0.00142706 10
2722 4 C 35.9182 11.4082 29.9308 0.00417863 -0.00219178 0.000878719 10
2723 5 C 35.8214 11.4927 31.3527 -0.00243214 -0.000339093 0.000207703 10
2724 6 C 36.4225 12.5799 32.0105 -0.000641327 0.00144049 -0.00283452 10
2725 7 C 31.3656 10.2623 30.6983 0.00721244 -0.00130551 0.00121401 10
2726 8 C 31.5358 10.1138 29.3311 0.000585808 -0.00121169 -0.0018224 10
2727 9 C 32.811 9.94157 28.8505 0.00725817 0.00154981 -0.00236225 10
2728 10 C 33.9095 10.0499 29.7254 -0.00109439 -0.000163533 -0.00176958 10
2729 11 C 33.7693 10.1582 31.1165 -0.00136536 0.00717562 -0.000285554 10
2730 12 C 32.4451 10.3113 31.6383 -0.000831656 -0.00041073 0.00266271 10
2731 13 C 37.1383 6.91859 31.4815 0.00108358 0.000423689 -0.00261685 10
2732 14 C 37.3908 6.95758 30.1001 -0.00322532 0.00100727 -0.00178417 10
2733 15 C 36.8169 8.0217 29.3822 -0.00395936 0.000865315 0.00240446 10
2734 16 C 36.075 9.00702 30.0193 -0.00479636 -0.000114189 0.000414141 10
2735 17 C 35.3587 10.1391 29.281 0.00439623 -0.00197632 9.2698e-05 10
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2738 20 O 36.476 12.7844 33.3705 -0.000359137 0.00116435 0.00259554 10
2739 21 C 36.4505 7.90223 32.1651 0.00346585 0.0019884 0.000946189 10
2740 22 C 35.648 10.136 27.8255 0.00473292 -0.00377086 0.00241858 10
2741 23 C 36.0502 10.1229 26.69 -0.00305888 -2.15426e-05 -0.00300318 10
2742 24 C 36.7737 10.1086 25.4664 -0.00178495 0.000965307 0.00149245 10
2743 25 C 36.8758 8.96297 24.6281 0.00168986 6.29856e-05 0.00305827 10
2744 26 C 37.7169 8.93301 23.4925 -0.00155 -0.00361097 -0.0047297 10
2745 27 C 38.5363 10.0599 23.2359 0.000291307 0.00310934 0.00202012 10
2746 28 C 38.4203 11.2061 24.0136 0.00213528 0.00148579 -0.0025044 10
2747 29 C 37.5734 11.1948 25.1449 -0.0017081 0.00204367 -0.00532707 10
2748 30 C 39.3138 10.0499 22.0599 -0.00057829 0.00347888 -0.00420742 10
2749 31 C 39.8819 10.0518 21.0141 -0.00306377 -0.00398149 -0.00395744 10
2750 32 C 38.4807 6.83672 18.5266 0.00151445 -0.0024292 0.00241737 10
2751 33 C 38.7393 6.9021 17.1446 -0.00310055 0.000747747 -0.00176431 10
2752 34 C 39.4554 7.95157 16.5831 0.00746646 -0.00142846 0.000935461 10
2753 35 C 40.0035 8.90624 17.4607 -0.00351218 0.00200737 0.000261697 10
2754 36 C 39.7207 8.88265 18.8365 0.00188031 -0.00311157 0.000802703 10
2755 37 C 39.0011 7.8143 19.3773 0.00150074 0.00603336 -0.00322569 10
2756 38 C 40.2681 10.0592 19.6169 0.00178646 -0.00170376 -0.00155335 10
2757 39 C 44.1484 10.1055 19.6991 0.00127591 -0.00402101 -0.00237398 10
2758 40 C 44.4148 9.99994 18.318 -0.00338059 0.000704333 -0.000844141 10
2759 41 C 43.3304 10.0621 17.3828 -0.00137106 -0.00184723 -0.00158952 10
2760 42 C 42.0323 10.077 17.8774 0.000483815 0.00155085 0.00236873 10
2761 43 C 41.7666 10.0288 19.2596 0.00142249 0.00229549 0.000223592 10
2762 44 C 42.8028 10.0682 20.1932 -0.000706273 -0.00348944 -0.000631458 10
2763 45 C 38.8044 13.5245 18.6518 0.00612258 -0.00390564 -0.0016359 10
2764 46 C 39.1844 13.5351 17.3076 0.000851918 -0.000499115 -0.00404665 10
2765 47 C 39.761 12.4129 16.6666 0.00123856 -0.00266039 0.00150602 10
2766 48 C 40.0464 11.3231 17.4807 0.00104166 0.00439157 0.000222687 10
2767 49 C 40.8041 10.096 16.9778 0.00560303 -0.00164507 0.00436664 10
2768 50 C 39.7531 11.309 18.876 0.00158331 -0.000381359 0.00284846 10
2769 51 C 39.0819 12.4272 19.475 0.000564682 0.000545617 0.00241394 10
2770 52 O 43.6013 10.0405 16.0352 -0.000892788 -0.00402568 0.00384674 10
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2773 55 C 35.0962 10.2098 31.9353 -0.000935639 0.000836593 -0.00141583 10
2774 56 C 35.8796 8.975 31.4293 -0.00462617 0.00433619 -0.00411018 10
2775 57 C 44.8813 9.63643 15.4799 0.000902821 -0.00066737 -0.00136447 10
2776 58 C 44.8933 9.81134 13.9757 -0.00277275 0.00336507 -0.000311844 10
2777 59 C 44.1842 8.67508 13.1635 -0.000636681 0.00370035 -0.000359736 10
2778 60 C 42.6764 8.93215 12.9271 0.00258328 0.00137556 -0.00109553 10
2779 61 C 42.2477 9.80295 11.7012 -4.16064e-05 -0.000174134 0.00368727 10
2780 62 C 42.7146 9.24648 10.3272 -0.00540066 0.00046236 -0.00065906 10
2781 63 C 41.9623 9.9354 9.20947 -0.00201743 -0.00486713 0.00237916 10
2782 64 C 42.646 10.0123 7.84657 0.00404559 0.00279714 -0.00213767 10
2783 65 C 41.6086 10.3422 6.74597 -0.00285365 -0.000171022 0.00176478 10
2784 66 C 42.2304 10.752 5.36063 0.000438572 -0.00401665 -0.000371179 10
2785 67 C 42.2459 9.59143 4.31838 -0.00229206 -0.00274274 0.00206032 10
2786 68 C 42.5243 10.0511 2.85661 0.000480535 3.39945e-05 -4.50886e-05 10
2787 69 F 37.6861 7.81925 22.667 0.000423253 0.00127401 0.00488601 10
2788 70 C 39.1663 7.1632 14.2482 -0.00355526 0.00221338 -0.0024172 10
2789 71 C 39.1467 7.89637 12.8993 0.000194655 -0.00272879 -0.00110466 10
2790 72 C 38.7155 6.92907 11.7641 -0.00133497 0.000456169 -0.000416546 10
2791 73 C 38.7523 7.62116 10.4199 -0.000202539 -0.00156544 -0.000529782 10
2792 74 C 38.2479 6.77548 9.21157 -0.000193569 -0.00146261 -0.00144401 10
2793 75 C 38.3395 7.60438 7.88942 -0.00110275 0.00509969 0.0012969 10
2794 76 C 37.9491 6.84951 6.63945 0.000338604 -0.000911461 0.000188845 10
2795 77 C 38.2066 7.63359 5.35781 -0.00872365 -0.00319519 -0.00177662 10
2796 78 C 38.4044 6.69956 4.15044 -0.000506615 -0.000749379 -0.00207931 10
2797 79 C 38.9116 7.4134 2.90089 0.00286645 -0.00155757 -0.00198774 10
2798 80 C 37.8538 7.94356 1.86216 -0.00023289 -0.000699885 0.000491442 10
2799 81 C 36.9511 6.81076 1.29169 0.00537132 0.00128156 -0.00302451 10
2800 82 C 40.6117 13.4198 14.5349 -0.000559801 0.00121891 -0.00164022 10
2801 83 C 41.092 12.8985 13.1422 -0.00145836 0.00454945 -0.000462607 10
2802 84 C 41.4448 14.1225 12.2144 0.00423705 0.0013504 0.000251052 10
2803 85 C 41.6661 13.8555 10.7009 -0.00299338 0.00221578 -0.00193668 10
2804 86 C 42.003 15.1126 9.9465 -0.00217154 -0.000308714 0.00373798 10
2805 87 C 42.4317 14.9645 8.42925 -0.00275214 -5.02652e-05 -0.00533685 10
2806 88 C 41.4147 14.1455 7.62289 0.00413723 0.00457437 0.001034 10
2807 89 C 41.3474 14.5417 6.15873 -0.00199344 5.09657e-05 -0.00255939 10
2808 90 C 42.6727 14.358 5.40475 -0.00123111 0.0010146 0.00152774 10
2809 91 C 42.5354 14.1655 3.88813 -0.000549624 -4.28397e-05 -0.00186146 10
2810 92 C 41.3897 14.807 3.12076 -0.000953965 0.00183353 -0.00133898 10
2811 93 C 41.4067 14.3132 1.62603 0.00190747 -0.002455 -0.00285025 10
2812 94 C 30.8323 10.5393 33.5529 4.27672e-05 0.0029824 0.000690395 10
2813 95 C 31.0543 10.6497 35.0877 0.00160436 0.00108745 -0.000534411 10
2814 96 C 29.8459 10.3624 36.0562 -0.00160533 -0.000415937 0.00165158 10
2815 97 C 30.4273 10.2008 37.4649 -0.00024628 -0.00294761 0.00403912 10
2816 98 C 29.4829 10.1863 38.6833 0.00323252 0.00348977 -0.00225025 10
2817 99 C 30.3187 9.80536 39.9176 0.00200811 0.000319079 0.00169137 10
2818 100 C 29.4695 9.69946 41.2 0.00361766 -0.0020635 0.000423784 10
2819 101 C 29.2433 11.0442 41.8667 0.00237299 -0.000959185 -0.00104355 10
2820 102 C 29.6119 10.9932 43.3901 0.00254308 0.00062732 -0.00147952 10
2821 103 C 28.5778 10.1998 44.2266 -0.00594682 0.000820657 -0.000261107 10
2822 104 C 28.8467 10.173 45.7243 -0.000400033 0.00498068 -0.0031103 10
2823 105 C 30.2408 9.63824 46.0901 -0.00125725 0.00330478 -0.000555056 10
2824 106 C 36.9864 14.0474 33.9272 -0.00103918 0.00378472 -0.000798142 10
2825 107 C 37.0341 14.2533 35.4607 0.00229399 -0.00513188 -0.00275196 10
2826 108 C 37.8026 15.4977 36.0055 -8.5842e-05 0.000134971 0.000485477 10
2827 109 C 37.4014 15.8736 37.456 -0.00065375 0.00341849 -0.000798955 10
2828 110 C 37.4251 14.6683 38.4093 -0.000169984 -0.00326012 -0.00299508 10
2829 111 C 36.7439 14.9107 39.7179 0.000359721 0.00542501 -0.00443977 10
2830 112 C 37.5685 15.8102 40.6944 -0.000865482 0.00107888 -0.00428642 10
2831 113 C 36.8304 15.9759 42.0331 -0.00209561 -0.00215572 -0.00261936 10
2832 114 C 36.8687 14.6862 42.8804 -0.00269212 -0.000277192 -0.00517833 10
2833 115 C 36.3798 14.8224 44.314 0.000739134 0.00167682 0.0026319 10
2834 116 C 37.4611 15.4486 45.2407 -0.000184058 -0.000182832 0.000957484 10
2835 117 C 37.0076 15.6068 46.6962 0.000255673 -0.000231891 0.00386823 10
2836 118 C 36.9038 6.6376 34.2525 -0.00346126 -0.0023342 -0.00178697 10
2837 119 C 36.7094 6.57594 35.7918 0.00266254 -0.00191902 -0.00425195 10
2838 120 C 37.5751 5.53956 36.5437 -0.00437578 0.000649754 -0.00182282 10
2839 121 C 37.3566 5.4976 38.0647 0.000511492 -0.00117813 -0.000318736 10
2840 122 C 38.0048 6.66878 38.7924 0.00244614 0.00386771 -0.00156972 10
2841 123 C 37.5222 6.81535 40.2603 -0.00257851 0.00366618 -0.00360769 10
2842 124 C 37.8496 5.62773 41.2011 0.000939541 0.00131517 -0.000610048 10
2843 125 C 36.9766 5.51867 42.4427 0.00236682 0.00408004 0.000693892 10
2844 126 C 37.4423 6.38741 43.6302 0.000394254 0.000183604 -0.00274197 10
2845 127 C 36.7856 6.01219 44.9488 0.00324094 -0.00473777 0.00113516 10
2846 128 C 36.9497 7.00518 46.111 0.00243296 0.0019483 0.000452083 10
2847 129 C 38.396 7.09193 46.631 -0.00252552 0.00364735 0.0027518 10
2848 130 F 36.1532 7.87248 24.9344 0.00102722 0.00193898 -0.00105626 10
2849 131 H 37.6477 14.3723 31.6899 -0.00277013 0.00564456 -0.00386554 10
2850 132 H 37.7399 14.2211 29.3391 0.0011222 -0.00550145 5.66096e-05 10
2851 133 H 36.6189 12.3912 28.1333 0.00671232 -0.0109286 0.00176306 10
2852 134 H 30.3574 10.4605 31.05 0.00847782 -0.00463981 0.00670846 10
2853 135 H 30.6938 10.1149 28.6452 -0.00311035 0.00347542 0.0027279 10
2854 136 H 33.0003 9.87676 27.7831 -0.00107979 -0.000567055 -0.00369571 10
2855 137 H 37.5373 6.04498 31.9884 0.010502 0.0130548 0.0116935 10
2856 138 H 38.022 6.2455 29.5768 0.010969 0.00668969 0.00758408 10
2857 139 H 37.0095 8.04973 28.3138 0.00100282 -0.00238011 0.00320938 10
2858 140 H 38.9217 12.1501 23.8219 -0.00932472 0.00797871 -0.000736339 10
2859 141 H 37.5302 12.0902 25.7579 0.00261786 -0.00231671 0.00133994 10
2860 142 H 37.8271 6.06109 18.9148 0.00495131 -0.00589145 0.00127462 10
2861 143 H 38.335 6.0993 16.5351 -0.00296772 0.0040293 -0.00615709 10
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2863 145 H 44.9898 10.2014 20.379 0.00140313 0.0128807 -0.0048807 10
2864 146 H 45.4326 9.98663 17.9396 -0.00140482 0.00344882 0.00440816 10
2865 147 H 42.6283 9.95263 21.2589 0.00920464 -0.00886999 0.00043301 10
2866 148 H 38.3184 14.3824 19.1069 -0.00915573 -0.00646817 -0.013133 10
2867 149 H 39.0066 14.4656 16.7766 -0.00438743 -0.002102 -0.00510017 10
2868 150 H 41.0269 10.0802 15.9038 -0.0279756 -0.000432188 -0.00261667 10
2869 151 H 38.791 12.5304 20.5162 0.000333404 -0.0015695 0.00255332 10
2870 152 H 34.9239 10.273 33.0168 0.000920417 0.00304789 -0.00124828 10
2871 153 H 45.6372 10.2953 15.9247 0.00878876 -0.00838271 -0.00336554 10
2872 154 H 45.1383 8.60397 15.747 0.00873989 -0.000333816 -0.00758814 10
2873 155 H 45.9522 9.89321 13.7007 -0.00614866 -0.00406107 -0.0154741 10
2874 156 H 44.4086 10.7718 13.7616 0.00668938 0.00824146 0.000124552 10
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2876 158 H 44.7071 8.5832 12.2035 0.00891718 -0.000887702 0.00527431 10
2877 159 H 42.2593 9.36004 13.847 0.00256889 -0.0066819 0.00264833 10
2878 160 H 42.2357 7.93245 12.8282 -6.38114e-05 0.00249174 -0.00057307 10
2879 161 H 42.643 10.8206 11.809 -0.00716359 0.00157221 0.0133709 10
2880 162 H 41.1583 9.93168 11.7034 -0.00132327 -0.0108184 -0.0114553 10
2881 163 H 42.5465 8.16249 10.3171 -0.00828906 0.000908415 -0.000283657 10
2882 164 H 43.7994 9.4099 10.3312 -0.0041152 -0.00805639 -0.00259527 10
2883 165 H 41.6862 10.963 9.47621 -0.00389245 -0.0117588 0.0268857 10
2884 166 H 41.0206 9.37995 9.11969 -0.00647809 0.00403739 -0.00578939 10
2885 167 H 43.2839 9.16657 7.56181 -0.0118745 -0.010276 0.00118543 10
2886 168 H 43.3062 10.8883 7.85326 0.00944889 -0.00121788 -0.00922521 10
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2888 170 H 40.9497 9.48223 6.57389 -0.00737583 0.00227896 0.00685027 10
2889 171 H 43.2364 11.1796 5.45354 -5.32727e-05 -0.00119514 -0.00799454 10
2890 172 H 41.5832 11.5385 4.95334 0.000311597 -0.00247922 0.00280049 10
2891 173 H 41.2932 9.04751 4.3143 -0.0058228 0.00352527 -0.0120556 10
2892 174 H 43.0338 8.87485 4.58127 0.0011946 0.000827266 0.00135208 10
2893 175 H 42.4718 9.26641 2.09186 -0.00426827 0.0149798 -0.0151053 10
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2897 179 H 38.1681 6.75174 14.4425 -0.00550418 0.0100877 0.00420964 10
2898 180 H 38.5659 8.82637 12.9341 0.00481724 0.00041414 -0.00768808 10
2899 181 H 40.1661 8.22912 12.668 0.00425316 -0.00291532 0.0165506 10
2900 182 H 39.5104 6.17338 11.743 0.0040221 0.00582423 0.00775125 10
2901 183 H 37.7555 6.48499 12.0549 0.00295956 -0.00748359 0.00164467 10
2902 184 H 38.0725 8.48136 10.458 -0.013666 -0.0123256 0.00173017 10
2903 185 H 39.7422 8.07112 10.2754 -0.0049836 0.00687278 -0.00710189 10
2904 186 H 38.8835 5.8898 9.08934 0.00721835 0.00490202 -0.00916235 10
2905 187 H 37.1987 6.49922 9.37381 0.00231452 -0.00727921 0.00479519 10
2906 188 H 37.6164 8.42068 8.0084 0.00259611 0.00741677 0.00791007 10
2907 189 H 39.3515 8.01341 7.77986 0.00135467 -0.0018723 -0.00205146 10
2908 190 H 38.543 5.92723 6.64231 0.0143812 0.00816045 0.00922744 10
2909 191 H 36.9009 6.52805 6.67607 -0.00335934 0.00939114 -0.015132 10
2910 192 H 37.3557 8.28531 5.12381 -0.0142884 -0.00574785 0.011398 10
2911 193 H 39.1018 8.25458 5.48593 0.00095704 -0.0194076 0.00916574 10
2912 194 H 39.1362 5.92027 4.39648 0.0104959 0.010635 0.00122135 10
2913 195 H 37.4575 6.19289 3.92654 0.00659005 -0.016173 0.00287076 10
2914 196 H 39.5086 8.27407 3.22684 -0.00773236 0.00413419 0.0024321 10
2915 197 H 39.6055 6.74395 2.37772 0.00829704 0.000488015 0.00259523 10
2916 198 H 37.2166 8.72008 2.30314 -0.00267032 -0.00455141 0.00374521 10
2917 199 H 38.3557 8.44267 1.02412 0.0013102 -0.00125407 0.00108716 10
2918 200 H 37.561 5.9805 0.914787 0.000150029 -0.00369165 -0.000522193 10
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2920 202 H 36.3131 7.12207 0.455324 -0.0156582 -0.00112475 0.0121126 10
2921 203 H 39.8096 14.1517 14.3786 -0.00898141 -0.00656407 0.00516238 10
2922 204 H 41.4528 13.8998 15.0504 0.0054431 -0.0161533 0.00476768 10
2923 205 H 41.9132 12.1837 13.2767 -0.00897598 -0.00257249 0.00764331 10
2924 206 H 40.3598 12.2765 12.6127 -0.00742876 0.0114623 -0.000302667 10
2925 207 H 40.5652 14.7746 12.2811 0.00109488 -0.00128923 -0.0154922 10
2926 208 H 42.2552 14.706 12.6684 -0.00389515 0.00623395 0.00853137 10
2927 209 H 42.4664 13.1203 10.5512 -0.00868436 -0.00309515 -0.006343 10
2928 210 H 40.7929 13.3742 10.2433 -0.00311066 0.00285564 -0.00238338 10
2929 211 H 41.136 15.7837 9.98428 0.00380251 0.00731038 0.0056559 10
2930 212 H 42.7812 15.6347 10.5168 0.00862677 0.00740432 -0.0180944 10
2931 213 H 42.5577 15.9775 8.02753 0.0124056 0.00284948 0.00668235 10
2932 214 H 43.4032 14.4637 8.33457 0.000366392 0.00928875 -0.0226857 10
2933 215 H 41.7107 13.0904 7.67397 0.00436227 0.00571951 0.0230173 10
2934 216 H 40.4156 14.2481 8.06413 0.00566224 -0.00149567 0.00590427 10
2935 217 H 40.5248 14.0071 5.66797 0.00688644 0.00193054 -0.0194823 10
2936 218 H 41.0122 15.5844 6.09545 0.000674634 0.00129548 0.00387777 10
2937 219 H 43.3213 15.2129 5.63255 0.00347667 -0.00418149 0.00761495 10
2938 220 H 43.1464 13.4532 5.80529 0.00139022 0.000360547 -0.00306008 10
2939 221 H 43.4721 14.5036 3.42804 -0.00523514 0.0137407 -0.00125062 10
2940 222 H 42.5523 13.0838 3.70661 -0.0156582 0.00240131 -0.0176284 10
2941 223 H 40.4374 14.5218 3.58452 -0.00236748 0.0116312 0.00179169 10
2942 224 H 41.4176 15.9012 3.19437 -0.00204779 0.000967878 0.0120784 10
2943 225 H 42.3534 14.5093 1.10769 -0.00163166 0.00467646 -0.00663856 10
2944 226 H 41.1872 13.2425 1.53134 -0.000838677 -0.00159241 -0.00628898 10
2945 227 H 40.6354 14.8467 1.05698 0.0085845 0.00485842 -0.00504159 10
2946 228 H 30.2447 11.3886 33.1829 0.00364868 3.67612e-05 -0.0117919 10
2947 229 H 30.3039 9.6333 33.2314 -0.00214484 0.00520525 -0.00199119 10
2948 230 H 31.8398 9.95456 35.4089 0.00179759 0.00250842 0.00208198 10
2949 231 H 31.43 11.6523 35.3267 -0.00258548 0.0017639 0.00322355 10
2950 232 H 29.1307 11.1929 36.1022 -0.00242965 -0.00107438 0.000690526 10
2951 233 H 29.27 9.46881 35.7855 0.00199596 -0.00380238 0.00514995 10
2952 234 H 30.9718 9.24929 37.5036 0.0105047 0.00336336 0.00830841 10
2953 235 H 31.2035 10.9553 37.6428 0.00211375 -0.00601169 0.00677964 10
2954 236 H 29.0291 11.1786 38.7973 -0.00311299 0.000454081 -0.00118345 10
2955 237 H 28.7319 9.40333 38.5212 0.00509764 -0.00177615 0.0145399 10
2956 238 H 30.8629 8.86635 39.7578 0.00405039 0.00216026 -0.00216091 10
2957 239 H 31.0223 10.6309 40.0815 0.000577316 0.00493811 -0.0154127 10
2958 240 H 28.5104 9.2071 40.9972 0.00332163 -0.00425377 0.00716154 10
2959 241 H 30.0244 9.08332 41.9182 -0.0055069 0.0043786 0.0130148 10
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2961 243 H 28.1907 11.3425 41.7872 0.00538854 0.0108672 0.00312747 10
2962 244 H 30.6361 10.6387 43.5596 -8.38448e-05 -0.00629211 -0.000132529 10
2963 245 H 29.6167 11.999 43.8279 -0.00670596 -0.00201302 0.0047083 10
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2983 265 H 38.5644 15.373 40.8373 0.000426911 0.00394813 -0.00453237 10
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2985 267 H 37.2255 16.8352 42.5889 0.00970734 -0.0106267 0.00207631 10
2986 268 H 35.771 16.1783 41.8329 -0.00156957 0.00292272 -0.000239625 10
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2988 270 H 37.9062 14.3311 42.9086 -0.00437068 -0.00453512 0.00318439 10
2989 271 H 35.4465 15.3969 44.3626 0.00289338 0.00572324 -0.00397416 10
2990 272 H 36.1548 13.8385 44.7438 0.0054342 0.00601013 0.0150705 10
2991 273 H 38.3526 14.8106 45.2 -0.000356235 -0.00096888 0.00979219 10
2992 274 H 37.8093 16.3951 44.8093 -0.00482016 0.00490797 0.00843528 10
2993 275 H 37.0362 14.6184 47.1713 0.00440544 0.00122113 0.00664289 10
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2995 277 H 36.0094 16.0612 46.7192 0.00653383 0.0142978 -0.00931209 10
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2997 279 H 37.9755 6.74815 34.046 0.000100209 -0.00994741 0.0127458 10
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3022 2 C 41.3694 6.74455 29.8371 0.00555884 -0.00379197 -0.00195799 11
3023 3 C 40.8309 5.70281 29.1381 -0.000269462 0.0029758 -0.000577073 11
3024 4 C 40.1524 4.66892 29.7821 -0.00294385 0.00298892 0.00534051 11
3025 5 C 39.9414 4.74852 31.1868 -0.000991808 -0.00103863 0.00234337 11
3026 6 C 40.3938 5.88857 31.9258 -0.0038049 0.00331392 0.00387408 11
3027 7 C 35.4241 3.49006 30.4466 -0.000945413 0.000394967 0.00062145 11
3028 8 C 35.6624 3.46806 29.0768 -0.00715 -0.00242013 0.00594433 11
3029 9 C 36.9874 3.58044 28.6094 -0.00224539 -0.00292242 -0.00574589 11
3030 10 C 38.0518 3.54115 29.4988 0.000248662 -0.00120573 0.000546105 11
3031 11 C 37.8063 3.52126 30.897 0.00226743 0.00511276 0.00103316 11
3032 12 C 36.4738 3.50634 31.3923 -6.72592e-05 -0.00608488 -0.00156716 11
3033 13 C 40.9899 0.0883069 31.4062 0.000585429 -0.00401927 -0.00325728 11
3034 14 C 41.2727 0.116191 30.0674 0.000243777 -0.0016436 -0.00246631 11
3035 15 C 40.7722 1.1607 29.2773 0.0047258 -0.000771093 -0.00404746 11
3036 16 C 40.0865 2.24386 29.9079 -0.00360668 0.00130995 -0.00327346 11
3037 17 C 39.5353 3.45894 29.1085 0.000337147 -0.00313801 -0.00189906 11
3038 18 O 40.0414 1.06988 33.4124 0.000454378 0.00306796 -0.00720296 11
3039 19 O 36.1862 3.63309 32.7403 0.000565369 0.000441571 -0.000180472 11
3040 20 O 40.1817 6.06744 33.276 0.000644732 -0.00327055 -0.00192636 11
3041 21 C 40.2707 1.11754 32.0438 -0.000846757 -0.000604508 0.00233972 11
3042 22 C 39.9135 3.43112 27.6768 0.00201101 0.000913888 -0.00107181 11
3043 23 C 40.4506 3.47757 26.5862 -0.00173128 0.00378734 -0.00103261 11
3044 24 C 41.2828 3.63165 25.4373 0.000869303 -0.00222195 0.0022706 11
3045 25 C 41.1056 4.75309 24.5913 0.00499699 0.00202979 0.00225982 11
3046 26 C 41.9307 4.86807 23.4737 0.00169214 0.00159059 -0.000957071 11
3047 27 C 42.8804 3.8426 23.1699 0.00270765 0.000538004 0.00397167 11
3048 28 C 42.986 2.67305 23.9931 0.00115681 -0.000705088 -0.000281345 11
3049 29 C 42.2343 2.59958 25.1678 -0.00182792 -0.0012573 0.00024061 11
3050 30 C 43.5711 3.81828 21.9507 -0.00607799 0.00174722 -0.00260198 11
3051 31 C 44.014 3.73385 20.8167 0.00465371 -0.00180834 -0.00294457 11
3052 32 C 42.8106 0.0449176 18.9507 0.00219739 0.000197656 0.000466594 11
3053 33 C 43.1215 -0.180627 17.6042 -0.00276598 -0.00384309 0.00209298 11
3054 34 C 43.7767 0.861557 16.8558 -0.000500639 0.000387973 5.3609e-05 11
3055 35 C 44.069 2.06838 17.4732 0.000277628 -0.00216614 0.00279915 11
3056 36 C 43.7896 2.27084 18.8338 0.00113244 0.00548016 0.00337041 11
3057 37 C 43.1381 1.26661 19.585 0.00200439 0.00213373 0.000243303 11
3058 38 C 44.3781 3.57094 19.4136 -0.0024316 0.00629599 -0.00224936 11
3059 39 C 48.2837 3.58305 19.2797 0.000314008 0.00290105 -0.00324346 11
3060 40 C 48.4405 3.51922 17.8722 -0.00299278 0.00171002 -0.00117276 11
3061 41 C 47.3716 3.42287 16.9937 -0.00256626 -0.00288865 0.000646319 11
3062 42 C 46.08 3.3924 17.5644 -0.00241848 -0.000547679 -0.00499842 11
3063 43 C 45.8688 3.50808 18.9789 -0.000798164 0.00362803 -0.00240041 11
3064 44 C 46.9869 3.56001 19.8512 0.00379151 -0.00121049 -0.00134945 11
3065 45 C 42.6228 6.74061 17.9623 0.0026158 -0.00491132 0.00496216 11
3066 46 C 42.8897 6.65113 16.5592 0.000103157 -0.000807243 0.00390773 11
3067 47 C 43.5789 5.46903 16.1729 -0.000702993 -0.00202446 0.006265 11
3068 48 C 43.9898 4.50529 17.1339 -0.002544 0.000435889 -0.00375029 11
3069 49 C 44.7757 3.23752 16.7708 0.00401171 -0.00309183 -9.43946e-05 11
3070 50 C 43.7887 4.67745 18.4935 0.00316044 0.00601576 0.00273501 11
3071 51 C 43.0987 5.83102 18.9092 -0.000936007 0.000469843 -0.00169325 11
3072 52 O 47.5166 3.52418 15.6106 -0.00147725 0.00344905 0.00445477 11
3073 53 O 44.1456 0.640397 15.5338 -0.000408006 -0.00133721 -0.00129729 11
3074 54 O 43.7926 5.30617 14.8434 0.00181494 0.0011324 0.00458354 11
3075 55 C 39.1219 3.54019 31.7319 -0.000995856 0.00512017 0.00142986 11
3076 56 C 39.8488 2.24512 31.2813 -0.00159633 0.00194135 0.000197366 11
3077 57 C 47.2913 2.48427 14.6149 -0.00129289 0.00272205 -0.00434987 11
3078 58 C 46.4585 2.99132 13.3782 0.00303752 -0.00274576 0.00395584 11
3079 59 C 47.0486 2.5274 12.0015 -0.00044726 0.000601906 -0.00536838 11
3080 60 C 46.3212 3.13872 10.8061 -0.00436217 0.000602054 6.6543e-05 11
3081 61 C 47.0806 2.7387 9.53815 0.00196784 -0.0061711 0.00163013 11
3082 62 C 46.5629 3.37461 8.21771 -0.00301389 0.00125784 0.00122373 11
3083 63 C 47.3123 2.80412 7.01269 -0.000313937 -0.00101209 0.00253881 11
3084 64 C 47.0545 3.48766 5.65193 3.90118e-05 0.00539584 -0.0040876 11
3085 65 C 45.6627 3.13078 4.96995 0.00752626 -0.00146045 -0.00462489 11
3086 66 C 45.9062 2.61596 3.50591 -0.00523207 -0.00262048 0.00388872 11
3087 67 C 46.4084 3.69427 2.5101 0.00116564 -0.00177449 -0.00146545 11
3088 68 C 46.5566 3.18731 1.078 -0.0042542 0.00329362 0.00448224 11
3089 69 F 41.7634 5.90509 22.6298 7.42509e-05 -0.00291076 0.00321452 11
3090 70 C 44.3448 -0.681208 15.0301 -0.00363972 -0.00170633 0.000597031 11
3091 71 C 45.1125 -0.649078 13.7197 -0.000242569 0.00160263 -0.00153869 11
3092 72 C 45.5094 -2.07967 13.258 -0.00252546 0.00313366 0.00137603 11
3093 73 C 46.1602 -2.28928 11.901 0.00179128 -0.00293425 -0.00386533 11
3094 74 C 45.6142 -1.4507 10.734 -0.000400776 0.00525763 0.0014846 11
3095 75 C 46.2697 -1.85124 9.41057 0.00638904 -0.00262824 0.00189132 11
3096 76 C 45.6848 -1.04017 8.2455 0.00192814 0.000729775 0.000868203 11
3097 77 C 46.0793 -1.55563 6.8554 -0.00172962 0.00521668 -0.00126182 11
3098 78 C 45.3036 -0.699931 5.76662 -0.00233298 -0.000975291 0.00320816 11
3099 79 C 45.8313 -0.736281 4.30559 0.00230257 0.00486974 0.00296581 11
3100 80 C 46.0088 -2.13125 3.6588 0.00217095 -0.00317097 -0.00106011 11
3101 81 C 46.1718 -2.01779 2.11695 0.00185655 -0.00529313 0.00275938 11
3102 82 C 42.686 4.98645 13.9377 0.00155808 0.00443708 -0.00103893 11
3103 83 C 43.3376 5.04651 12.5365 0.00566125 0.00123392 0.00136592 11
3104 84 C 42.3582 4.98269 11.3577 0.00082162 -0.00185453 -0.00212206 11
3105 85 C 43.2094 5.23806 10.093 0.00110896 0.00339726 0.00206617 11
3106 86 C 42.433 5.0321 8.77305 -0.00370432 -0.00201546 0.00154528 11
3107 87 C 41.8531 6.27362 8.14557 0.00157681 0.00356909 -0.00331924 11
3108 88 C 41.4188 6.04026 6.71251 4.26892e-05 0.0036236 0.000419146 11
3109 89 C 42.5692 5.95664 5.70091 -0.000391171 -0.00432786 -0.00293198 11
3110 90 C 42.0744 5.92892 4.23875 0.00170788 0.00130138 0.00292278 11
3111 91 C 43.2691 6.18573 3.2665 0.00184383 -0.000576396 0.00359668 11
3112 92 C 42.9108 6.30564 1.77234 -0.00315956 -0.000129833 -0.000593271 11
3113 93 C 42.3762 4.94017 1.19418 0.00258093 0.00103671 0.000867324 11
3114 94 C 34.8498 4.00599 33.1219 -0.00176832 0.000578365 -2.13632e-05 11
3115 95 C 34.6449 4.24576 34.6237 0.00306876 -0.000693315 -0.000830569 11
3116 96 C 33.5752 3.33515 35.2602 -0.00544724 -0.000933047 0.000494359 11
3117 97 C 32.9231 3.76764 36.5764 0.000296781 0.00017891 -0.000699184 11
3118 98 C 33.8254 3.7657 37.8372 0.00611292 -0.00142406 -0.00254953 11
3119 99 C 33.0797 4.20621 39.1478 0.00427182 0.0011836 0.00144465 11
3120 100 C 33.9385 4.12712 40.4225 -0.00223099 -0.0021404 0.00141126 11
3121 101 C 33.1253 4.27921 41.7551 0.00304584 0.00344548 -0.000604934 11
3122 102 C 33.7725 3.62711 42.9493 -0.00266798 -0.0033859 -0.00103954 11
3123 103 C 33.149 4.14416 44.2622 0.00179076 0.00140652 -0.00174544 11
3124 104 C 33.8461 3.57749 45.4682 0.00400958 0.00160257 0.00101374 11
3125 105 C 33.1558 4.01011 46.7432 -5.41596e-05 0.000828922 0.00338501 11
3126 106 C 40.7747 7.2368 33.8982 -0.000778311 -0.00301461 0.00270914 11
3127 107 C 40.5487 7.32469 35.4402 0.00330481 -0.000281495 -0.00241868 11
3128 108 C 41.2486 8.61518 35.949 0.00840074 0.00101543 0.00568058 11
3129 109 C 41.1848 8.76283 37.5075 -0.000437314 -0.00245047 0.00109258 11
3130 110 C 42.1667 7.82994 38.2544 0.00171907 -0.00177153 0.000169144 11
3131 111 C 42.2281 8.11484 39.8134 0.000419284 -0.000396953 0.00307741 11
3132 112 C 40.8576 8.10459 40.5314 0.00219356 -0.000571782 -0.0040385 11
3133 113 C 40.9489 8.03086 42.0899 0.000509799 0.00165563 -0.00320565 11
3134 114 C 41.7241 9.21379 42.7054 -0.00194045 0.00233345 -0.00497014 11
3135 115 C 41.5435 9.3486 44.2577 0.00189951 -0.00199055 0.00300076 11
3136 116 C 41.9311 8.12736 45.086 -0.000253711 -0.0051675 -0.00311278 11
3137 117 C 41.7589 8.3785 46.6316 -0.00571264 0.00654597 -0.00329176 11
3138 118 C 40.2102 -0.133155 34.1627 -0.000369976 -0.00103309 -0.000809172 11
3139 119 C 40.3502 0.214744 35.6678 -0.00209994 0.000314804 0.00161781 11
3140 120 C 40.9092 -0.916038 36.5621 -0.00025415 0.00154736 0.000311548 11
3141 121 C 41.0724 -0.329415 38.0081 -0.00396949 0.00194266 0.00243359 11
3142 122 C 41.6519 -1.27063 39.0632 -0.00137294 -0.000576639 -0.000169634 11
3143 123 C 41.6063 -0.513046 40.4095 0.00357792 -0.000273047 -0.000871466 11
3144 124 C 42.0918 -1.30007 41.657 -0.00430805 3.18086e-05 -0.00255128 11
3145 125 C 41.6303 -0.484881 42.896 -0.0014535 -0.00329207 0.00222863 11
3146 126 C 41.9249 -1.2489 44.2024 0.00728123 -0.00130585 0.00630133 11
3147 127 C 41.0824 -0.626128 45.3581 -0.00212456 -0.0033516 -0.0021487 11
3148 128 C 41.4668 -1.23422 46.7122 0.00251257 -0.00220193 0.0014945 11
3149 129 C 40.8212 -0.459407 47.854 0.00240442 -0.00283156 0.00330004 11
3150 130 F 40.1285 5.70125 24.8213 0.00496022 0.00125229 2.64579e-05 11
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3153 133 H 41.0093 5.66939 28.0674 -0.000884391 -0.00737307 -0.000368308 11
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3163 143 H 42.9434 -1.17121 17.1963 0.00861596 -0.00388726 -0.00278747 11
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3166 146 H 49.4421 3.57269 17.4557 -0.00166102 -0.00597381 0.00104487 11
3167 147 H 46.827 3.603 20.9245 0.0101138 0.00530156 -0.000677306 11
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3169 149 H 42.6392 7.46654 15.8871 -0.0123562 -0.00187479 0.00726993 11
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3171 151 H 42.8716 5.99223 19.9589 -0.0103885 0.0030944 -0.00413806 11
3172 152 H 38.9397 3.53964 32.8136 -0.00137066 0.0115684 0.00136148 11
3173 153 H 48.279 2.176 14.2506 0.00104632 0.000555698 0.00384163 11
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3175 155 H 46.3477 4.08257 13.3954 0.00214977 -0.00257473 -0.0121075 11
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3177 157 H 46.9012 1.44321 11.9229 -0.0211624 0.00229127 0.00961632 11
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3179 159 H 46.2839 4.23441 10.8444 0.0118516 0.000950856 0.00561581 11
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3182 162 H 48.1522 2.94436 9.65117 -0.00267683 0.0121952 0.0119521 11
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3185 165 H 47.0217 1.75495 6.87767 -0.00574428 -0.000543782 0.0106226 11
3186 166 H 48.3839 2.79634 7.24703 0.00241241 -0.000841469 -0.00994512 11
3187 167 H 47.8512 3.11748 4.99488 0.00483895 9.68894e-05 0.00471693 11
3188 168 H 47.1497 4.58031 5.67331 0.0133579 0.00392839 0.0096804 11
3189 169 H 44.9529 3.96672 4.99953 0.00233497 -0.00627826 0.00766869 11
3190 170 H 45.0948 2.35312 5.49554 -0.00712176 0.00737677 -0.00731309 11
3191 171 H 45.0115 2.09655 3.14103 -0.00479423 0.00175819 -0.00338998 11
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3193 173 H 47.3729 4.0864 2.85566 -0.00444571 0.00517282 0.00633198 11
3194 174 H 45.7316 4.55726 2.53323 0.00181216 -0.00119249 -0.00439405 11
3195 175 H 45.6306 2.80142 0.6342 0.008196 -0.0204711 -0.000849869 11
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3197 177 H 46.8694 4.01142 0.425014 -0.00154766 -0.00109391 0.000236129 11
3198 178 H 44.9254 -1.22755 15.7836 0.00814465 -0.000163735 -0.00738437 11
3199 179 H 43.3817 -1.19973 14.9466 0.0019213 -0.0138872 0.0119075 11
3200 180 H 44.5289 -0.126701 12.9516 0.0165213 -0.000824428 -0.0159409 11
3201 181 H 45.9797 0.0135489 13.8308 0.00258956 -0.00342335 0.00619475 11
3202 182 H 46.0672 -2.60361 14.044 -0.00855946 -0.00230798 0.00204354 11
3203 183 H 44.5677 -2.64135 13.2237 -0.0012122 0.00149999 -0.00773185 11
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3205 185 H 46.0299 -3.34919 11.6499 0.00845347 -0.0061528 0.00623808 11
3206 186 H 44.53 -1.60778 10.6782 -0.00138968 0.00908989 0.00996948 11
3207 187 H 45.8357 -0.394233 10.9294 0.0137961 0.00484582 -0.0123284 11
3208 188 H 47.3534 -1.6821 9.42617 0.00582222 0.00214375 -0.00935505 11
3209 189 H 46.0864 -2.90388 9.162 -0.0136875 -0.00029486 0.00684076 11
3210 190 H 44.597 -1.16491 8.31293 0.00267388 -0.00754502 -0.00219937 11
3211 191 H 45.956 0.0194033 8.33025 0.000708835 0.00128869 -0.00220663 11
3212 192 H 47.1589 -1.45642 6.68809 0.00013381 -0.00583012 0.00421769 11
3213 193 H 45.881 -2.63152 6.77437 0.00733549 0.00312411 0.00419243 11
3214 194 H 44.2497 -1.003 5.73836 -0.000795571 -0.00613254 0.00124803 11
3215 195 H 45.2734 0.327471 6.14995 0.00112664 -0.00347249 0.0102131 11
3216 196 H 45.0983 -0.175472 3.71264 0.000625918 -0.00648444 -0.00570669 11
3217 197 H 46.8009 -0.223257 4.29714 0.00471177 0.00020961 -0.00349387 11
3218 198 H 46.8787 -2.61732 4.11752 0.00228445 0.00641319 0.00890999 11
3219 199 H 45.1257 -2.75126 3.85624 -0.00312996 0.00150881 -0.0100273 11
3220 200 H 47.0882 -1.47625 1.85149 -0.00428686 0.00408296 0.000705494 11
3221 201 H 46.2462 -3.0154 1.66678 -0.00278319 -0.00472169 0.000737528 11
3222 202 H 45.3171 -1.47827 1.69055 0.00489365 -0.00914738 -0.0081777 11
3223 203 H 42.287 3.98628 14.147 -0.00566303 0.00575152 -0.00855568 11
3224 204 H 41.9183 5.76999 13.9268 0.00534427 0.00803909 -0.011988 11
3225 205 H 43.9113 5.97719 12.4467 0.00807635 0.00049823 0.00915818 11
3226 206 H 44.0851 4.24412 12.5078 -0.00840549 -0.0120537 0.00659097 11
3227 207 H 41.9005 3.9896 11.2705 -0.00598706 0.00157611 -0.00551111 11
3228 208 H 41.5265 5.69084 11.4582 0.00413477 0.00123569 0.00344246 11
3229 209 H 43.5558 6.27764 10.145 -0.00108927 0.00460314 -0.00747117 11
3230 210 H 44.1203 4.62858 10.1401 0.000649507 0.00215778 -0.00539073 11
3231 211 H 43.1376 4.57508 8.06729 0.00586674 -0.000352406 0.0100069 11
3232 212 H 41.5758 4.37322 8.9585 0.00455451 -0.0140264 -0.00310976 11
3233 213 H 40.9789 6.59028 8.72766 0.00204829 0.00363992 -0.00265084 11
3234 214 H 42.5953 7.0811 8.16851 0.0108336 -0.00485057 -0.0063586 11
3235 215 H 40.7946 5.14358 6.61365 0.00530708 -0.000151548 0.00146283 11
3236 216 H 40.8015 6.86587 6.33733 -0.0040481 0.00230504 0.00427541 11
3237 217 H 43.1413 6.88891 5.78417 -0.00577962 -0.0017059 0.00472025 11
3238 218 H 43.1999 5.07512 5.86988 -0.00281789 -0.00549388 4.4968e-05 11
3239 219 H 41.6366 4.96225 3.96084 -0.00831733 0.00569425 0.00348547 11
3240 220 H 41.3246 6.71361 4.07907 -0.000943534 -0.00105801 0.00378819 11
3241 221 H 43.8184 7.09989 3.52333 0.00633778 -0.00169765 -0.0019885 11
3242 222 H 43.9961 5.38208 3.43707 -0.0085072 -0.011315 -0.00296794 11
3243 223 H 42.2251 7.13051 1.54253 0.00792781 0.00737775 -0.00686521 11
3244 224 H 43.8301 6.61275 1.25857 -0.00966313 0.00158211 -0.0112001 11
3245 225 H 42.1285 5.01449 0.128083 -0.00893661 0.00473122 0.00378931 11
3246 226 H 43.1516 4.17896 1.34475 0.00267218 0.0017057 0.00379153 11
3247 227 H 41.4312 4.72269 1.70719 -0.00373004 0.0143647 -0.00502967 11
3248 228 H 34.6143 4.97003 32.6544 -0.010256 -0.000731806 0.00153622 11
3249 229 H 34.1147 3.25463 32.808 0.000646086 0.0060047 -0.0185966 11
3250 230 H 35.5814 4.15167 35.1872 -0.00321205 -0.00119572 0.00952549 11
3251 231 H 34.3141 5.28678 34.7249 0.00454143 3.77071e-05 -0.00353067 11
3252 232 H 32.7599 3.2599 34.5302 -0.00528113 0.00220249 -1.36678e-05 11
3253 233 H 33.9427 2.30971 35.3902 0.0134771 0.00573923 -0.000746071 11
3254 234 H 32.4238 4.74315 36.5269 -0.000363906 0.000100466 0.0042257 11
3255 235 H 32.0845 3.0817 36.7482 0.00402714 -0.00950503 -0.0210424 11
3256 236 H 34.2422 2.76336 37.9953 0.00137637 -0.00458234 -0.0101137 11
3257 237 H 34.6842 4.417 37.6331 0.00580424 -0.00155149 -0.0042576 11
3258 238 H 32.7564 5.25112 39.0639 -0.0115671 -0.00353017 0.0035982 11
3259 239 H 32.1285 3.66756 39.2395 -0.0113412 0.0276425 -0.00425587 11
3260 240 H 34.4392 3.15114 40.4389 -0.00183077 -0.00221073 -0.0151731 11
3261 241 H 34.7653 4.84418 40.3468 -0.00471753 -0.000548625 -0.0107471 11
3262 242 H 32.9742 5.3553 41.9054 -0.000513007 0.00262917 0.00159779 11
3263 243 H 32.1698 3.75808 41.6179 0.00766948 -0.00360958 -0.00616089 11
3264 244 H 33.6504 2.53784 42.9046 -0.00452909 -0.0026242 -0.0143071 11
3265 245 H 34.8373 3.88719 42.9052 0.000208512 -0.0157129 -0.00400887 11
3266 246 H 33.3151 5.22694 44.3205 0.00751038 0.00181897 -0.0257012 11
3267 247 H 32.0748 3.92259 44.245 0.00326519 -0.00572063 -0.00206778 11
3268 248 H 33.7995 2.48148 45.4649 -0.00471026 0.00197723 0.000760648 11
3269 249 H 34.9136 3.82924 45.4874 0.00470983 -0.0022107 0.0126439 11
3270 250 H 33.6711 3.75441 47.6773 -0.00479587 0.00639118 0.00754418 11
3271 251 H 33.0129 5.09776 46.7472 0.00213834 0.00116681 -0.0104488 11
3272 252 H 32.186 3.49878 46.7047 -0.00481381 0.0103015 -0.00258424 11
3273 253 H 41.848 7.21095 33.6729 -0.00226012 -0.00722495 -0.00393537 11
3274 254 H 40.2779 8.11313 33.4638 0.00650391 0.000408716 0.00132918 11
3275 255 H 39.4793 7.47071 35.6363 0.00403131 0.0030583 -0.000926946 11
3276 256 H 40.9523 6.46828 35.9944 0.00929645 0.00583837 0.00269137 11
3277 257 H 42.3183 8.61575 35.7058 0.00659429 0.00137757 -0.00217315 11
3278 258 H 40.8087 9.51866 35.509 0.00657579 -0.0040576 -0.00287337 11
3279 259 H 41.5603 9.76884 37.7318 0.0140475 -0.00488324 -0.0121471 11
3280 260 H 40.1589 8.71607 37.8933 -0.00231461 0.00120632 -0.00344673 11
3281 261 H 41.8494 6.79371 38.0843 -0.0240834 0.00733188 -0.00729463 11
3282 262 H 43.1952 7.93333 37.8872 -0.00278847 0.00371244 -0.0108422 11
3283 263 H 42.9355 7.40917 40.2661 0.00919668 0.002909 -0.00544527 11
3284 264 H 42.6821 9.09756 39.9909 0.000253397 0.000351939 -0.000659158 11
3285 265 H 40.2788 8.97712 40.2041 -0.00709495 -0.00920866 -0.0106696 11
3286 266 H 40.3016 7.20828 40.23 0.00619373 -0.00771208 0.00978615 11
3287 267 H 39.9485 8.0252 42.54 0.00132019 0.00763457 -0.00130834 11
3288 268 H 41.4595 7.08497 42.3091 0.00122074 0.00157774 -0.00517853 11
3289 269 H 42.7781 9.09672 42.4249 -0.00171915 -0.00261509 -0.00205477 11
3290 270 H 41.4383 10.1428 42.1968 -0.00257117 0.00130639 -0.00649206 11
3291 271 H 42.0674 10.2256 44.6576 -0.00481037 -0.00254876 0.013065 11
3292 272 H 40.4764 9.51035 44.454 0.00293016 0.0011343 0.006018 11
3293 273 H 41.3045 7.24662 44.8986 -0.00153776 -0.00615979 0.00566605 11
3294 274 H 42.9792 7.86793 44.892 0.00315684 0.00498029 0.00173721 11
3295 275 H 40.7676 8.78355 46.87 -0.00648446 -0.00219052 0.00828758 11
3296 276 H 41.9528 7.48067 47.2314 -0.0124468 0.00351543 -0.00567061 11
3297 277 H 42.5015 9.10864 46.9762 -0.00593406 0.00502716 0.000404984 11
3298 278 H 39.3627 -0.799517 33.9601 -0.00830349 0.00907601 -0.000942825 11
3299 279 H 41.1517 -0.610506 33.864 -0.00319792 -0.000406178 -0.0107378 11
3300 280 H 39.38 0.468804 36.1122 0.00417086 0.000251718 0.0153944 11
3301 281 H 41.0024 1.09151 35.7641 0.00860291 -0.00899224 0.0136815 11
3302 282 H 41.8521 -1.3123 36.1655 -0.002077 -0.00163595 -0.000837947 11
3303 283 H 40.1393 -1.69683 36.5962 -0.00371181 0.00488568 -0.000999623 11
3304 284 H 40.087 0.0318501 38.3274 -0.00351655 0.0100482 -0.00529383 11
3305 285 H 41.7034 0.567734 37.9875 0.00292791 -0.0028479 0.00505146 11
3306 286 H 42.669 -1.49164 38.7167 0.00179876 0.00510942 0.00552954 11
3307 287 H 41.0511 -2.18795 39.0325 -0.00168393 -0.000455311 0.00252291 11
3308 288 H 40.567 -0.211782 40.59 0.00249341 -0.00252577 -0.00337569 11
3309 289 H 42.1052 0.456969 40.2933 -0.0194538 0.0128657 0.00959251 11
3310 290 H 43.1833 -1.4079 41.6738 -0.00513818 -0.00825448 -0.00204556 11
3311 291 H 41.6676 -2.31145 41.6332 -0.0031142 -0.000398267 -0.00569956 11
3312 292 H 40.5576 -0.259401 42.8515 0.00188617 0.00825437 -0.0194153 11
3313 293 H 42.1864 0.460125 42.9285 -0.0145502 0.00528862 -0.0240858 11
3314 294 H 42.9866 -1.13708 44.4547 0.0110653 -0.00646604 -0.00737162 11
3315 295 H 41.7411 -2.32189 44.067 -0.011221 0.00226542 0.00320261 11
3316 296 H 39.9994 -0.723125 45.2132 -0.00214848 0.00335527 -0.00649594 11
3317 297 H 41.265 0.455562 45.3602 0.00183491 -0.00402594 -0.000619183 11
3318 298 H 42.5476 -1.20571 46.8976 0.00398301 0.00563514 -0.00836902 11
3319 299 H 41.1203 -2.27507 46.7118 -0.00303654 -0.000357901 0.00442445 11
3320 300 H 41.1203 -0.869253 48.8266 -0.00754704 -0.0119403 0.00252755 11
3321 301 H 39.7272 -0.517888 47.7971 0.00175794 0.0161261 -0.00343305 11
3322 302 H 41.1733 0.57872 47.8123 -0.00234653 -0.00154777 -0.00473144 11
3323 1 C 44.7702 13.5658 31.1285 0.000969543 -0.00127661 0.00214599 12
3324 2 C 44.9175 13.4575 29.7407 0.00391237 0.00236379 -0.00218181 12
3325 3 C 44.4602 12.294 29.1028 0.000444101 0.00213362 0.000157379 12
3326 4 C 43.8503 11.2919 29.8404 -0.00289895 -0.00234415 -0.00642988 12
3327 5 C 43.7266 11.4028 31.2572 -0.00327815 0.000810215 -0.00072175 12
3328 6 C 44.2192 12.5364 31.9353 0.00297552 0.000948739 0.00242318 12
3329 7 C 39.2582 10.4189 30.9161 -0.00111626 0.00464761 0.000187363 12
3330 8 C 39.348 10.2995 29.5075 -0.00151746 -0.00166339 0.001419 12
3331 9 C 40.5812 10.1865 28.9174 -0.000254951 0.00242646 -0.00168054 12
3332 10 C 41.753 10.1021 29.7088 0.000648677 0.000719583 0.000118888 12
3333 11 C 41.6448 10.1886 31.1183 0.000613796 0.00244183 4.46644e-05 12
3334 12 C 40.4002 10.3796 31.7449 0.00037022 0.00109132 -0.00572717 12
3335 13 C 45.0242 6.84901 31.4493 -0.00040557 0.000567606 0.00207352 12
3336 14 C 45.102 6.83239 30.0576 -0.00368437 0.000753207 -0.00133018 12
3337 15 C 44.4996 7.83432 29.3388 -0.00104031 -0.00103116 0.00261419 12
3338 16 C 43.8535 8.88699 29.9502 -0.00256001 0.000628157 0.00407348 12
3339 17 C 43.1919 10.0425 29.1865 -0.001648 0.00317566 -0.00531532 12
3340 18 O 44.195 7.79066 33.5265 -0.000592231 0.00132637 -0.00367844 12
3341 19 O 40.4008 10.5132 33.1083 -0.00158853 -0.00225487 -0.000576523 12
3342 20 O 44.067 12.7889 33.2907 0.000709537 -0.000776771 -0.00150738 12
3343 21 C 44.2787 7.84405 32.1248 -0.000803793 0.00223909 0.000539383 12
3344 22 C 43.4032 9.91934 27.7329 0.000937387 0.00158924 -0.00253564 12
3345 23 C 43.9258 9.86572 26.6451 0.00308572 -0.00162939 0.000944037 12
3346 24 C 44.7083 9.94141 25.4616 0.000100433 -0.00217836 0.00215623 12
3347 25 C 44.7834 11.1388 24.7317 -0.00233938 -0.00177362 0.00443484 12
3348 26 C 45.7613 11.3261 23.7527 -0.00126516 -0.00132703 0.000706713 12
3349 27 C 46.6405 10.2546 23.4384 0.0014218 -0.00392179 -0.00220832 12
3350 28 C 46.5385 9.04573 24.174 0.00404451 0.0019687 -0.0024791 12
3351 29 C 45.6321 8.92737 25.2132 -0.000812692 -0.00203677 0.00155758 12
3352 30 C 47.4038 10.2275 22.206 0.00195881 0.00163445 0.00016259 12
3353 31 C 47.9006 10.279 21.1029 -0.000312097 -0.000203597 -0.0059203 12
3354 32 C 46.5132 6.86927 18.8362 0.00281526 -0.000600765 -0.00241849 12
3355 33 C 46.7738 6.79464 17.4665 -0.00117968 -0.00229001 0.0016707 12
3356 34 C 47.4379 7.81753 16.84 0.0080988 -0.00341531 0.00142297 12
3357 35 C 47.8278 8.91427 17.6138 0.00232896 0.000834675 -0.00660437 12
3358 36 C 47.6138 8.96946 19.003 0.00380652 -0.00343616 -0.000920785 12
3359 37 C 46.8916 7.93328 19.634 -0.00414155 -0.0066989 -0.00136577 12
3360 38 C 48.1876 10.2251 19.6707 0.000873802 0.000333774 -0.00201463 12
3361 39 C 52.0458 10.1853 19.5566 -0.00136867 0.00105038 -0.00178211 12
3362 40 C 52.2637 10.1425 18.1639 -0.00179479 -0.000325349 -0.00565867 12
3363 41 C 51.1602 10.1236 17.3075 0.000810506 -0.00077915 0.00500894 12
3364 42 C 49.8586 10.1545 17.8592 0.00091098 6.40059e-05 0.00154327 12
3365 43 C 49.6617 10.2212 19.256 0.000288945 0.00421047 -0.00165269 12
3366 44 C 50.7499 10.1721 20.1196 0.00173556 -1.92922e-06 -0.00293662 12
3367 45 C 46.4861 13.5489 18.641 -0.00397286 -0.00276446 -0.000670043 12
3368 46 C 46.6968 13.519 17.2507 -0.00153187 -0.00203889 0.00230249 12
3369 47 C 47.4089 12.4454 16.6858 0.000887857 -0.0041794 -0.00502963 12
3370 48 C 47.801 11.3521 17.5108 -0.0015563 0.000424708 -0.00405547 12
3371 49 C 48.5915 10.1298 17.0434 -0.00684443 0.000374162 -0.000156393 12
3372 50 C 47.6144 11.4145 18.9157 -0.00469658 -0.00157839 0.00176664 12
3373 51 C 47.0099 12.5663 19.4766 -0.0022581 -0.00176137 0.0037007 12
3374 52 O 51.3112 10.2192 15.9666 0.00171376 0.00212424 -0.00172993 12
3375 53 O 47.7368 7.7962 15.4853 0.00256371 -0.0012741 -0.000197668 12
3376 54 O 47.6114 12.4219 15.3496 -0.000573632 0.00442251 -0.00276918 12
3377 55 C 42.9941 10.1911 31.8623 0.00127837 0.00301692 0.000803036 12
3378 56 C 43.7555 8.93487 31.3425 -0.0023465 0.00204938 0.0016772 12
3379 57 C 52.3551 9.57388 15.3142 -0.00261955 0.0038155 -0.00246716 12
3380 58 C 51.832 9.13557 13.9052 0.000155475 -0.00321041 0.00208818 12
3381 59 C 50.5711 9.87678 13.4367 -0.00104999 -0.00316868 -0.00220387 12
3382 60 C 49.9809 9.4446 12.0885 -0.00115417 0.00214147 0.00125997 12
3383 61 C 50.6115 9.98362 10.8133 0.00232547 -0.000443649 -0.00365631 12
3384 62 C 49.8725 9.47928 9.5441 0.000562295 0.0031198 0.00200152 12
3385 63 C 50.5811 9.83028 8.2497 0.00143943 0.00500437 -0.000931107 12
3386 64 C 49.8478 9.23588 7.02576 -0.00464218 -0.000114052 -0.00187815 12
3387 65 C 50.7085 9.44336 5.76412 0.00110381 -0.00258922 0.000298938 12
3388 66 C 49.8631 9.31967 4.47106 0.000253404 -0.00468871 0.000595883 12
3389 67 C 50.6934 9.47522 3.16303 -0.00275595 0.00105217 -0.00383242 12
3390 68 C 49.7859 9.38112 1.88285 -0.00125599 0.000794917 -0.00393706 12
3391 69 F 45.7877 12.4755 23.013 0.000923056 0.00222991 -0.00469833 12
3392 70 C 47.1077 6.90948 14.5931 -0.00103015 -0.000586838 0.00157492 12
3393 71 C 47.5807 7.39346 13.2149 0.00145735 0.00178296 -0.00383784 12
3394 72 C 46.9496 6.69854 12.0225 -0.000928452 0.00157142 0.00450957 12
3395 73 C 47.4005 7.32321 10.6806 0.0012476 0.000114686 -0.00610445 12
3396 74 C 46.3334 7.11359 9.59725 -0.00446112 0.00191658 -0.0026533 12
3397 75 C 46.8098 7.51971 8.16298 0.00341711 0.000593685 0.00475004 12
3398 76 C 45.7404 7.07155 7.12716 -0.000623841 -0.000550575 -0.000910584 12
3399 77 C 46.1096 7.21446 5.63195 -0.00167308 0.00170575 0.00135528 12
3400 78 C 46.1236 8.6527 5.11987 0.00192981 0.00319457 0.000838878 12
3401 79 C 46.1743 8.80293 3.58263 -0.000578973 0.0024406 -0.000101138 12
3402 80 C 46.8373 7.63823 2.78014 0.0019603 -0.00107898 -0.000852852 12
3403 81 C 46.783 7.81807 1.2154 0.00125899 0.00197229 0.000320961 12
3404 82 C 48.8053 12.866 14.674 0.00260226 -0.000613838 -0.00493855 12
3405 83 C 48.5275 12.7991 13.1581 0.000350243 0.00277792 0.00070069 12
3406 84 C 49.6201 13.357 12.2458 0.00161342 0.0018152 0.00300979 12
3407 85 C 49.2666 13.3583 10.7167 0.000431775 -0.000963412 0.000552734 12
3408 86 C 50.4301 13.9129 9.85024 -0.00389226 -0.00548945 0.00038127 12
3409 87 C 50.0448 14.4677 8.47691 -0.00497709 -0.0031327 -9.96882e-05 12
3410 88 C 50.2651 13.4872 7.25969 0.000301606 -0.000192669 0.00054135 12
3411 89 C 50.1867 14.1952 5.90469 -0.00368501 -0.00013875 -0.00125055 12
3412 90 C 50.3768 13.2661 4.70623 -0.00157176 -0.00209866 0.00484546 12
3413 91 C 50.2441 14.0999 3.3922 -0.000386492 -0.00031463 -0.00286405 12
3414 92 C 50.369 13.2225 2.14599 0.00140717 -0.000955915 0.00409357 12
3415 93 C 50.2953 14.0414 0.858075 -0.00323098 -0.000530052 -0.0073601 12
3416 94 C 39.3542 11.0196 33.9051 -0.00802294 -0.00211455 -0.00226905 12
3417 95 C 38.1576 10.1233 34.1426 -0.00110884 -0.00412954 -0.00369619 12
3418 96 C 37.3289 10.4814 35.3954 0.00112566 -0.00154077 0.00104876 12
3419 97 C 38.1198 10.282 36.72 -0.00437174 -0.000759426 -0.00184233 12
3420 98 C 37.5098 11.0747 37.876 -0.00297903 -0.00101795 -0.00207305 12
3421 99 C 37.6249 10.2934 39.2196 0.000507566 0.00267422 0.00259625 12
3422 100 C 37.2684 11.1552 40.4738 -0.000254505 0.00208344 -0.00183294 12
3423 101 C 37.4784 10.387 41.7826 0.00435458 -0.000405677 0.00365898 12
3424 102 C 37.2224 11.2728 43.0344 0.000263751 -0.000418929 -0.00103314 12
3425 103 C 37.3049 10.4946 44.3724 -0.0038666 0.00021735 0.0022913 12
3426 104 C 37.1902 11.408 45.633 0.00545796 -0.00315054 0.00523649 12
3427 105 C 37.6058 10.6453 46.9055 0.00150919 0.00570032 -0.00254378 12
3428 106 C 44.9476 13.6989 34.0487 -0.00473956 0.00380612 0.00188331 12
3429 107 C 44.574 13.934 35.5685 0.00203525 0.00133916 0.000986211 12
3430 108 C 45.683 14.7787 36.2495 0.000442349 0.00427447 -0.000279633 12
3431 109 C 46.0661 14.4245 37.6829 -0.000569853 -0.00134445 -0.00152069 12
3432 110 C 45.1155 14.9273 38.7646 0.00228094 -0.00196725 0.00118781 12
3433 111 C 45.6375 14.7026 40.1727 0.00227003 0.0045173 -0.00379432 12
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3435 113 C 45.2174 15.4107 42.5939 -0.000849471 -0.0026207 -0.000865964 12
3436 114 C 45.3954 14.0642 43.3152 0.00261766 -0.00420279 0.000968592 12
3437 115 C 44.8532 14.0831 44.7663 -0.00300791 -0.00181558 -0.000310168 12
3438 116 C 45.8357 14.6687 45.8402 0.00103056 7.00259e-05 -0.00168705 12
3439 117 C 45.8663 16.173 45.781 0.000958021 -0.00391025 0.00500778 12
3440 118 C 45.052 6.8839 34.3109 0.00365328 -0.00185564 -0.00238924 12
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3443 121 C 45.2379 5.77196 38.0028 -0.00177941 -0.000536383 -0.000544794 12
3444 122 C 45.5839 4.58435 38.9289 0.00193222 0.00325442 -4.0773e-05 12
3445 123 C 46.4329 4.90566 40.1822 -0.00106138 -0.00161486 0.00198681 12
3446 124 C 45.8213 5.85741 41.2433 -0.00388127 -0.000209488 -0.000350788 12
3447 125 C 44.6682 5.27188 42.0966 -0.00182398 -0.00255996 0.000756392 12
3448 126 C 44.2282 6.13507 43.2876 0.00130302 0.00474299 -0.00243534 12
3449 127 C 45.2494 6.24705 44.4464 -0.00270055 0.000705166 0.000573703 12
3450 128 C 45.0735 5.20567 45.5764 -0.00105641 0.00264529 -0.0045527 12
3451 129 C 44.0754 5.74552 46.6393 0.00103606 0.00300369 0.000900181 12
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3482 160 H 49.9392 8.35634 11.9567 0.00888937 0.000865909 0.00890103 12
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3490 168 H 49.7032 8.15573 7.15138 0.0018735 -0.000489577 0.00244233 12
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3498 176 H 49.5182 8.34238 1.65323 -0.00633816 0.0051053 -0.0175653 12
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3501 179 H 46.0281 7.08414 14.6788 -0.003177 -0.0094525 -0.00776411 12
3502 180 H 47.4085 8.47536 13.1578 -0.000393708 0.00157625 -0.00222831 12
3503 181 H 48.65 7.16026 13.1404 0.000684845 -0.00299769 -6.39686e-05 12
3504 182 H 47.255 5.64683 12.0863 -0.00308681 0.000599184 -0.00129936 12
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3506 184 H 47.5535 8.40178 10.8098 -0.0158616 0.00090388 0.00758698 12
3507 185 H 48.3642 6.89432 10.3794 0.0107047 0.0142089 0.00404726 12
3508 186 H 46.0119 6.06475 9.59891 0.000833392 0.0003063 0.00394826 12
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3512 190 H 45.507 6.01578 7.3124 -0.00104378 -0.00295704 -0.0151891 12
3513 191 H 44.7981 7.60549 7.30162 0.00401406 0.00294379 0.0133825 12
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3515 193 H 45.3913 6.64462 5.02963 -0.00197738 -0.0107131 0.0134958 12
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3519 197 H 46.74 9.72733 3.41272 5.89307e-05 0.00157911 -0.00263954 12
3520 198 H 47.8843 7.54024 3.0927 0.00171174 -0.0156479 -0.00454852 12
3521 199 H 46.3969 6.66076 3.01247 -0.0128674 0.00604787 0.000925903 12
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3523 201 H 45.7437 7.74724 0.871282 -0.004708 0.00988177 0.016666 12
3524 202 H 47.2127 8.79736 0.971059 -0.00464193 0.00488967 0.00163906 12
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3526 204 H 49.6089 12.1742 14.9549 -0.00934341 -0.00945569 0.00746459 12
3527 205 H 48.1973 11.8051 12.8323 0.00286025 0.00604395 -0.0118353 12
3528 206 H 47.724 13.5211 12.9673 -0.00154058 0.00437508 0.0147304 12
3529 207 H 49.8909 14.3766 12.5469 -0.00252634 0.00235441 0.00489407 12
3530 208 H 50.526 12.7479 12.3536 0.00399024 0.00592779 0.00625031 12
3531 209 H 48.9508 12.3531 10.4115 -0.00756441 0.00187463 -0.000513204 12
3532 210 H 48.4014 14.0205 10.5893 -0.0025484 -0.00504486 -0.000386698 12
3533 211 H 50.9303 14.7598 10.3358 -0.000227303 0.00307857 -0.0182372 12
3534 212 H 51.1278 13.0759 9.72344 0.00526153 0.00356275 -0.00880136 12
3535 213 H 48.9962 14.7888 8.50387 0.000786296 0.0157303 -0.000899858 12
3536 214 H 50.6137 15.3906 8.30949 -0.00431734 -0.00248657 0.00569595 12
3537 215 H 51.2331 12.9853 7.38028 -0.00567642 -0.0119461 -0.000305364 12
3538 216 H 49.5276 12.6795 7.34375 0.00326536 -0.00243057 0.00517522 12
3539 217 H 49.1929 14.6566 5.85005 -0.00781344 -0.0109624 -0.0174931 12
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3541 219 H 51.362 12.7861 4.75526 0.00114556 0.00321123 0.00216062 12
3542 220 H 49.654 12.4408 4.70666 -0.00723469 0.0028725 0.00659403 12
3543 221 H 49.2645 14.5872 3.31218 0.00561809 0.0154374 0.0202269 12
3544 222 H 51.0063 14.8879 3.35336 -0.00982076 0.00908777 0.00277424 12
3545 223 H 51.3402 12.7146 2.19129 -0.00168852 -0.0069604 0.00296149 12
3546 224 H 49.5604 12.4829 2.09584 0.00688238 -0.00528302 -0.0207219 12
3547 225 H 51.1103 14.7706 0.771281 0.000875768 -0.00263824 0.0136801 12
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3549 227 H 49.3091 14.509 0.748266 -0.0081139 -0.00820667 0.00387144 12
3550 228 H 39.8004 11.3155 34.8626 -0.0065812 0.00298805 -0.00450793 12
3551 229 H 39.0133 11.9771 33.4922 0.00308636 0.00246694 -0.000842831 12
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3553 231 H 38.5174 9.08804 34.1897 -0.0077615 -0.00664623 -0.00807651 12
3554 232 H 36.9716 11.5172 35.3414 -0.0114042 -0.00615142 -0.00435987 12
3555 233 H 36.4155 9.87399 35.4106 0.00106512 -0.00123431 0.00964001 12
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3557 235 H 39.1311 10.6856 36.5864 -0.00136411 -0.00512105 0.0079951 12
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3559 237 H 36.4605 11.3315 37.6854 0.000808859 0.00951074 -0.0087509 12
3560 238 H 36.9187 9.45854 39.1321 -0.0036304 0.0069174 -0.00464737 12
3561 239 H 38.6246 9.85733 39.3377 0.00273272 0.00694572 -0.000504757 12
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3563 241 H 36.2112 11.4445 40.429 -0.00209113 -0.00465908 -0.00205618 12
3564 242 H 36.8088 9.52731 41.909 -0.0128724 0.0116661 -0.00556373 12
3565 243 H 38.5251 10.0622 41.8319 0.0049006 -0.000425199 -0.00822095 12
3566 244 H 37.9042 12.1315 42.9992 0.00478915 -0.00350211 0.0118556 12
3567 245 H 36.2141 11.684 42.9013 0.00122894 -0.00344604 -0.0179186 12
3568 246 H 36.6374 9.62414 44.3786 -0.0079737 0.00329678 -0.00812891 12
3569 247 H 38.3164 10.0711 44.4048 -0.00239689 0.00393317 0.00511391 12
3570 248 H 37.866 12.2649 45.5215 -0.00804281 0.00517902 -0.0126385 12
3571 249 H 36.1827 11.8371 45.6972 -0.000263522 -0.0124124 -0.0225135 12
3572 250 H 38.5746 10.1417 46.7998 -0.00908432 -0.0110411 -0.0198868 12
3573 251 H 37.6851 11.3296 47.7592 0.00701593 -0.00206118 0.00316658 12
3574 252 H 36.8709 9.87023 47.156 0.00354853 0.00217936 -0.00744918 12
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3579 257 H 46.5682 14.6224 35.6208 0.00183327 -0.00943312 0.0050818 12
3580 258 H 45.3955 15.8257 36.093 -0.0179823 -0.00198796 -0.0086045 12
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3585 263 H 45.7652 13.6377 40.4033 -0.00515699 0.00256834 -0.00866702 12
3586 264 H 46.5828 15.2492 40.2774 0.00472044 0.00215235 -0.0136955 12
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3589 267 H 46.1619 15.9681 42.5693 -0.00936392 0.0118929 0.00140202 12
3590 268 H 44.479 15.9873 43.1646 -0.00951026 -0.0110236 -0.00355392 12
3591 269 H 44.799 13.3256 42.7655 -0.0193588 0.0147318 -0.000681244 12
3592 270 H 46.4392 13.7265 43.3144 0.00640168 0.00756338 -0.0110591 12
3593 271 H 43.8588 14.5377 44.855 -0.0057545 -0.00535199 -0.0131208 12
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3596 274 H 46.873 14.3206 45.7609 -0.00180172 -0.00621556 -0.0108698 12
3597 275 H 44.8614 16.592 45.6467 0.00418531 0.00104337 -0.00371627 12
3598 276 H 46.3578 16.5486 46.687 0.00234976 0.00780097 -0.000604041 12
3599 277 H 46.5153 16.4965 44.9578 0.00307193 0.00440865 0.00993462 12
3600 278 H 44.9594 5.87003 33.9024 -0.00739857 -0.00134049 -0.0011848 12
3601 279 H 46.0962 7.20847 34.2222 0.000530155 0.00748321 -0.00497137 12
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3604 282 H 46.1069 5.13971 36.132 -3.5181e-05 0.00484448 -0.00633844 12
3605 283 H 44.4164 4.66307 36.3756 -0.00270277 0.00204462 0.00596104 12
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3607 285 H 45.9642 6.56503 38.2196 -0.010638 0.00467457 0.0101276 12
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3609 287 H 44.664 4.09047 39.2655 -0.0033256 0.0111491 -0.00284073 12
3610 288 H 47.3635 5.37447 39.8392 0.0042498 -0.00753608 0.00829439 12
3611 289 H 46.73 3.98894 40.7064 0.0037746 -0.00427143 -0.00541233 12
3612 290 H 45.5383 6.77245 40.7086 0.00303033 0.00531081 0.00542896 12
3613 291 H 46.6088 6.17181 41.9394 0.00306342 0.00472763 -0.0104511 12
3614 292 H 44.9202 4.26783 42.4596 -0.0114518 -0.00512017 0.000384972 12
3615 293 H 43.837 5.10888 41.3995 -0.00299553 -0.000229122 0.00161557 12
3616 294 H 43.2393 5.8917 43.6952 0.00207484 -0.0143757 -0.0120868 12
3617 295 H 44.1648 7.16294 42.9096 0.00532085 0.00836302 0.00667465 12
3618 296 H 45.1172 7.26567 44.8316 -0.00713446 0.00319007 -0.00747151 12
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3620 298 H 46.0159 4.99263 46.0959 -0.00983406 -0.0147557 0.0042524 12
3621 299 H 44.7585 4.28242 45.0746 0.00674596 0.00617356 -0.0160132 12
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3626 2 C 1.73331 20.3788 29.0658 0.00312412 0.00154133 0.002613 13
3627 3 C 1.1916 19.2788 28.4282 -0.000608747 0.00373828 -0.00144165 13
3628 4 C 0.576413 18.2438 29.2031 -0.00392527 0.00494389 0.000823129 13
3629 5 C 0.520831 18.3399 30.6022 -0.00140026 0.00158954 -0.00533632 13
3630 6 C 0.973707 19.5012 31.2553 -0.00250184 0.00374554 0.00079396 13
3631 7 C -3.96122 16.9237 30.4207 0.000429462 -0.00171613 -0.00212373 13
3632 8 C -3.89095 16.8498 29.0114 -0.00382816 -0.000786991 -0.000923871 13
3633 9 C -2.66454 16.8767 28.3464 -0.00135702 -0.00503591 0.0042894 13
3634 10 C -1.50879 16.9705 29.1032 0.000345933 0.00099759 -0.00133514 13
3635 11 C -1.53478 17.0359 30.5448 -0.00368641 0.00276923 0.00443971 13
3636 12 C -2.79654 17.027 31.1968 -0.000639457 0.000435872 0.00179863 13
3637 13 C 1.76427 13.7627 30.8396 0.00539344 -0.0010163 0.000290108 13
3638 14 C 1.92491 13.7983 29.4601 -0.00306623 -0.000207457 -0.000877667 13
3639 15 C 1.25603 14.7317 28.6915 0.00156984 -0.00247067 -0.000180107 13
3640 16 C 0.641023 15.8374 29.3232 0.00263226 0.000617914 -0.00186708 13
3641 17 C -0.0465016 16.9902 28.6137 0.00184064 -0.00156188 -0.0023744 13
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3646 22 C 0.154637 16.9188 27.164 0.00182382 0.000383002 -0.00597042 13
3647 23 C 0.521859 16.8804 26.0085 -0.00044111 -0.000341205 0.00175904 13
3648 24 C 1.24774 16.921 24.7643 9.37387e-05 0.00490042 0.00249788 13
3649 25 C 1.78451 15.7131 24.2884 0.00144072 0.00268656 0.00102305 13
3650 26 C 2.72903 15.7671 23.2494 0.00115305 -0.000585469 0.000457123 13
3651 27 C 3.16974 17.0126 22.7531 0.000907339 -0.00421464 0.000340814 13
3652 28 C 2.57883 18.2234 23.1982 0.000684241 -0.000113639 -0.00434419 13
3653 29 C 1.65304 18.1697 24.2248 -0.00130657 -0.000845151 -0.0030466 13
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3655 31 C 4.66967 17.1093 20.6081 -0.00453654 0.00353103 0.000824314 13
3656 32 C 3.56566 13.5568 18.4318 -0.00325361 0.000721551 -0.00406726 13
3657 33 C 3.945 13.4455 17.1031 0.00317768 0.00262837 -0.00434697 13
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3661 37 C 3.88206 14.7011 19.1667 0.00307329 0.000785115 -0.0010935 13
3662 38 C 5.05778 17.0641 19.1822 0.00218331 0.0060671 0.00336491 13
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3675 51 C 3.71641 19.2944 18.891 4.27482e-06 0.00160131 -0.0025816 13
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3683 59 C 7.90863 16.5594 12.0368 0.00199815 -5.82037e-05 0.00295098 13
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3692 68 C 7.09108 16.05 1.67428 0.00270387 -0.00132912 0.00501192 13
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3697 73 C 6.64156 12.8253 10.9324 0.0057844 0.000678903 0.0019985 13
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3720 96 C -5.67271 17.1786 35.1757 -0.00155749 -0.00310856 0.000814024 13
3721 97 C -4.91096 17.1608 36.4964 -0.00337035 0.000432815 -0.000267157 13
3722 98 C -5.89619 17.1334 37.7044 -0.00373064 0.00122114 0.000894107 13
3723 99 C -5.12765 17.1346 39.0352 -0.0068346 -0.000377388 -0.000173832 13
3724 100 C -6.1157 16.8312 40.159 0.00111659 -0.00100154 -0.000593652 13
3725 101 C -5.65711 17.1565 41.5779 -0.00171993 1.56404e-06 0.00183186 13
3726 102 C -6.70073 16.6559 42.618 -0.0041589 0.00558032 0.000717609 13
3727 103 C -6.52794 17.1449 44.0787 0.00200411 -9.53459e-05 0.00447577 13
3728 104 C -5.08421 17.1375 44.6644 0.0045609 0.00393545 0.00344782 13
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3734 110 C 2.71678 21.6305 38.0138 0.00208034 -0.00330854 -0.0038914 13
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3928 2 C 5.76865 27.0142 29.7446 -0.00109214 -0.00195982 0.000881383 14
3929 3 C 5.26342 25.9209 29.0441 0.00744782 -0.000501177 -0.00198583 14
3930 4 C 4.55761 24.8982 29.7246 0.00162424 0.00603452 0.000230101 14
3931 5 C 4.35389 25.0086 31.121 0.000740272 -0.00233017 0.00117495 14
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3936 10 C 2.50398 23.7451 29.4343 -0.00122672 -0.000538689 0.0045988 14
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3938 12 C 0.950899 24.0766 31.2575 0.000600739 0.00158475 0.00100497 14
3939 13 C 5.76039 20.5862 31.4246 0.00307037 0.00402811 0.00139015 14
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3941 15 C 5.34379 21.4596 29.1864 0.00202174 -0.00435442 0.00307032 14
3942 16 C 4.57601 22.4921 29.8026 0.00195177 -0.00431832 -0.00034977 14
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3949 23 C 4.74388 23.4913 26.5103 -0.00432689 -0.00207095 0.00148906 14
3950 24 C 5.49936 23.3923 25.3229 0.00201321 -0.000141506 0.000831809 14
3951 25 C 6.66019 22.5793 25.2709 -0.00179164 -0.00270735 -0.00213939 14
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3954 28 C 6.01585 24.3082 23.1369 -0.000509416 0.000539639 0.000450842 14
3955 29 C 5.20172 24.2363 24.2649 0.000703375 -0.00611444 0.00144033 14
3956 30 C 8.03579 23.6518 21.9603 2.78879e-05 -0.00208584 -0.00267765 14
3957 31 C 8.56697 23.7476 20.8896 -0.00434884 0.00275276 -0.000750955 14
3958 32 C 7.10835 20.5702 18.4213 -0.000391851 0.00331378 0.00163257 14
3959 33 C 7.30496 20.6441 17.0283 0.00149682 -0.00132771 -0.00295478 14
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3963 37 C 7.65404 21.5472 19.2695 -0.00113581 0.00126215 -0.00284653 14
3964 38 C 8.95168 23.7915 19.4859 -0.00514977 -0.00169065 0.00155699 14
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3966 40 C 13.0305 23.7998 18.0833 0.000825139 -0.0020214 -0.000689218 14
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4013 87 C 12.1434 28.0534 9.09089 0.00145174 0.000295035 -0.0032927 14
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4018 92 C 9.84257 27.0459 3.54622 -0.00105714 -0.00548549 0.00188508 14
4019 93 C 10.5088 27.6613 2.28566 -0.0014982 -0.00295339 0.00353695 14
4020 94 C -0.503989 23.5357 33.1483 0.000513401 0.00165984 0.00519071 14
4021 95 C -1.24175 24.2594 34.293 0.00363118 0.0025491 0.00212645 14
4022 96 C -0.730671 23.8245 35.6847 -0.000521142 -0.00351919 -0.00471953 14
4023 97 C -1.68727 24.171 36.868 0.00115947 -0.00339508 0.0038478 14
4024 98 C -1.11239 23.6044 38.2258 0.00152966 -0.000757549 0.00136905 14
4025 99 C -1.83489 24.0467 39.5461 0.000201435 -0.000779365 0.00207499 14
4026 100 C -1.06801 23.5792 40.8 0.000447759 -0.00371781 0.0066622 14
4027 101 C -1.63107 24.1701 42.1313 -0.00187483 0.0034816 -0.000555695 14
4028 102 C -0.954959 23.6124 43.3979 0.00346303 -0.00147358 0.00756258 14
4029 103 C -1.48947 24.1129 44.7433 0.00169242 0.00243427 0.00100076 14
4030 104 C -0.599663 23.6372 45.8838 0.00247057 -0.00219296 -0.00138462 14
4031 105 C -1.14782 23.9813 47.3078 -0.00231248 -0.00355272 -0.000301489 14
4032 106 C 5.66595 26.731 34.1315 0.00250899 -0.00386285 -0.00208576 14
4033 107 C 5.25435 28.2137 34.211 0.00191117 3.00744e-05 -0.000510195 14
4034 108 C 5.83193 28.9939 35.3977 0.000229866 -0.00219395 0.00211268 14
4035 109 C 5.30627 28.5253 36.78 0.00347649 -0.00120557 0.000688836 14
4036 110 C 5.95911 29.2224 37.9466 0.0015087 -0.00516472 0.00101752 14
4037 111 C 5.59726 28.4917 39.2534 -0.00106533 -0.00226543 -0.000292981 14
4038 112 C 6.30255 29.1673 40.4769 0.00246114 -0.00158452 0.000119526 14
4039 113 C 6.25666 28.2963 41.7694 -0.000612018 0.00515809 0.00322987 14
4040 114 C 6.83453 29.1903 42.9164 -0.00220649 -0.000368894 0.00174741 14
4041 115 C 7.3646 28.4442 44.1917 -0.00143968 0.00121893 -0.00286875 14
4042 116 C 6.34448 27.8097 45.167 -0.0036483 0.00254623 0.00201625 14
4043 117 C 5.50821 28.9107 45.8924 0.0020771 0.000802847 0.00156092 14
4044 118 C 4.86427 20.2849 34.1143 -0.000387142 0.00166308 -7.08055e-05 14
4045 119 C 6.2182 19.9892 34.6959 0.00244242 -0.0043537 -5.20274e-05 14
4046 120 C 6.16767 18.8359 35.6962 0.00148764 0.00200141 -0.00131735 14
4047 121 C 5.5976 19.1851 37.0579 0.00397289 -0.00341555 0.0054642 14
4048 122 C 6.5481 19.9542 38.0328 -0.00138095 0.00221269 0.000461715 14
4049 123 C 5.8744 20.1506 39.3923 4.38331e-05 0.00149049 -0.00268354 14
4050 124 C 5.92415 18.9375 40.3485 -0.00143585 -0.000493868 0.0016199 14
4051 125 C 5.44137 19.4013 41.7635 -0.00385698 0.000466996 0.00213172 14
4052 126 C 5.87313 18.4312 42.8574 -0.00185479 0.000853947 0.00245357 14
4053 127 C 5.8168 19.0969 44.2143 0.00575032 0.00502465 0.00488557 14
4054 128 C 6.31024 18.2948 45.4706 -0.000899881 0.00495404 0.00136968 14
4055 129 C 6.30768 19.1756 46.7321 -0.0014222 0.00660394 -0.00111326 14
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4240 12 C 4.96734 17.1491 31.2378 0.00132654 -0.000612899 -0.000749088 15
4241 13 C 9.6626 13.6309 31.373 0.00260847 -0.00200836 0.00296471 15
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4255 27 C 11.4465 16.9553 23.1693 0.00236197 0.00185391 6.02124e-05 15
4256 28 C 10.8194 18.147 23.6275 -0.00184691 0.00109543 0.00556861 15
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4301 73 C 14.6481 12.6939 11.1267 -0.00457587 -0.000664678 0.000256976 15
4302 74 C 14.9592 11.4248 10.3684 -0.000800565 0.000302972 0.000160988 15
4303 75 C 15.6337 11.6882 9.05815 -0.00278812 0.00214934 0.00134887 15
4304 76 C 14.7052 12.1618 7.88625 0.0015628 -0.00095617 0.00133206 15
4305 77 C 15.5784 12.3992 6.62383 0.00492509 -0.000826412 -0.00192306 15
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4309 81 C 14.3508 11.7785 2.42865 -0.00114456 0.00111966 -0.00315263 15
4310 82 C 11.2784 18.8422 14.3175 -0.000263019 0.00327322 0.000223721 15
4311 83 C 12.1232 18.8668 13.052 0.00104202 0.00158781 0.000384459 15
4312 84 C 11.291 18.4625 11.8435 -1.24927e-05 -0.00537106 -0.00037206 15
4313 85 C 12.0231 18.8358 10.5402 0.003402 0.00546012 -0.000691291 15
4314 86 C 11.1714 18.2752 9.36851 0.00315485 0.000971556 -0.00223506 15
4315 87 C 11.7495 18.6199 7.99349 0.00158581 -0.000301011 -0.00096422 15
4316 88 C 10.7077 18.419 6.8838 0.00138018 -0.00131681 -0.000604776 15
4317 89 C 11.2929 18.4374 5.46422 0.00264345 0.00223926 -0.000151883 15
4318 90 C 10.1873 18.3965 4.36032 0.00150339 -0.00166695 0.0014394 15
4319 91 C 10.6653 17.8167 3.01793 0.00378495 0.00198302 0.00294435 15
4320 92 C 11.6814 18.7675 2.36034 -0.00411123 0.00257322 -0.000990477 15
4321 93 C 11.9999 18.2914 0.966976 0.00215464 -0.00451501 -0.00199351 15
4322 94 C 3.19965 17.317 32.9339 -0.00120021 0.00351412 -0.00021107 15
4323 95 C 2.95995 17.3719 34.477 -0.00292208 -0.00376745 -0.00384638 15
4324 96 C 1.45477 17.3341 34.8496 -0.00195647 0.00242001 0.000106634 15
4325 97 C 1.1832 16.907 36.3155 -0.00119951 -0.00417793 -0.00139159 15
4326 98 C 1.95155 17.6259 37.4648 -7.63134e-05 -0.00419359 -0.00267587 15
4327 99 C 1.58965 16.9549 38.8111 0.00101371 -0.00103977 -0.00336326 15
4328 100 C 2.0335 17.6917 40.0603 0.00081897 0.00297359 -0.000822234 15
4329 101 C 1.81496 16.8349 41.33 0.000701908 -0.0019593 -0.00233162 15
4330 102 C 2.09308 17.5385 42.6564 0.00371894 0.00228896 0.00160885 15
4331 103 C 2.23943 16.5187 43.8044 -0.00114448 -0.00135781 -0.000754762 15
4332 104 C 2.39724 17.1524 45.2261 0.00576161 0.00392633 -0.00217809 15
4333 105 C 2.78712 16.1381 46.3391 0.000209148 0.000871331 0.00431509 15
4334 106 C 9.4078 20.7334 33.7076 -0.000627594 0.00314719 0.00464617 15
4335 107 C 9.62191 20.6598 35.2421 -0.00219112 -0.00109302 -0.000649453 15
4336 108 C 10.138 21.9908 35.7842 -0.0056057 -0.000345305 0.00229096 15
4337 109 C 9.76395 22.3427 37.238 -0.00046887 -0.00143669 -0.00169146 15
4338 110 C 10.2737 21.3948 38.2985 0.00373371 0.00240421 0.000134012 15
4339 111 C 10.3603 22.0751 39.6728 -0.00204881 -0.000876784 -0.0026597 15
4340 112 C 9.02667 22.2389 40.4341 -0.00195987 0.00295456 0.00201572 15
4341 113 C 8.64742 21.0154 41.284 -0.0012939 -0.00010241 -0.000683063 15
4342 114 C 9.66647 20.6215 42.372 0.0017147 -0.000106914 -0.00650527 15
4343 115 C 10.0274 21.7709 43.3186 -0.000501786 0.00112517 -0.00367526 15
4344 116 C 10.5916 21.2717 44.6705 0.00134195 -0.00458923 0.0014112 15
4345 117 C 9.43664 20.7595 45.5847 -0.00346771 0.000223434 -0.00210043 15
4346 118 C 9.44508 13.5068 34.1697 0.00162838 0.00114488 -0.00319864 15
4347 119 C 8.88385 13.5232 35.607 -0.00100814 0.000551926 -0.000432977 15
4348 120 C 9.76778 12.8678 36.7028 -0.00257824 -0.00120644 0.00586419 15
4349 121 C 9.19054 13.0348 38.1128 -0.00135686 -0.00138632 0.00196967 15
4350 122 C 10.2674 12.7397 39.2141 -0.000729079 -0.000728798 -0.000689565 15
4351 123 C 9.51708 12.7375 40.5618 0.00191022 0.00150987 0.0026096 15
4352 124 C 10.4673 12.4946 41.7436 0.00510004 -0.00338519 -0.0016764 15
4353 125 C 9.75759 12.633 43.0713 0.000576744 0.00014221 -0.00415019 15
4354 126 C 10.6287 12.4133 44.315 -0.00475085 0.00201742 0.00131885 15
4355 127 C 9.83117 12.5042 45.6046 0.00287597 -0.00114688 0.0007877 15
4356 128 C 10.5768 12.0457 46.8583 0.0101253 -0.00120104 0.000746672 15
4357 129 C 11.8738 12.7982 47.1761 -0.00303966 0.000294665 -0.000167999 15
4358 130 F 10.1757 14.4521 25.5178 -0.0017338 0.000410076 0.000885589 15
4359 131 H 10.1619 21.1777 31.4348 0.00989987 -0.00987866 0.008249 15
4360 132 H 10.1833 21.0448 28.9666 0.010394 -0.00810193 -0.00271922 15
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4363 135 H 3.35698 17.0757 28.1851 0.00973925 0.0087889 -0.00446582 15
4364 136 H 5.67948 16.8341 27.3635 0.00767676 0.00545474 0.00324267 15
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4370 142 H 10.7388 12.8705 18.916 -0.00915734 0.0113473 0.0104283 15
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4372 144 H 11.4769 14.7403 20.3409 0.00897356 -0.00592763 -0.000268067 15
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4374 146 H 17.8319 17.1005 17.2604 0.0007289 0.00802029 0.0038528 15
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4379 151 H 11.4294 19.38 20.4678 0.016146 -0.0106546 0.00428536 15
4380 152 H 7.53701 17.1317 32.6931 -0.00225526 -0.00529125 0.00460386 15
4381 153 H 16.3285 15.6106 14.6381 -0.00904897 -0.0117757 0.0120927 15
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4383 155 H 17.0411 17.138 12.9865 -0.00229809 0.00430039 -0.00499346 15
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4385 157 H 14.1104 16.5445 12.1025 0.00354045 0.00959274 0.0133397 15
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4388 160 H 15.3885 17.953 10.3444 0.00337966 0.00147111 0.0161512 15
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4393 165 H 16.6375 17.4116 7.80785 0.00694319 -0.0113049 -0.00314699 15
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4396 168 H 16.6601 17.4907 5.50785 0.0121923 -0.00977611 0.00624013 15
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4398 170 H 13.8702 16.2021 5.50886 -0.00778074 -0.00659547 -0.019349 15
4399 171 H 13.7574 16.4365 3.10518 0.000265484 -0.010654 0.00190689 15
4400 172 H 15.2456 15.5772 3.33816 -0.00110945 -0.00202288 0.00780795 15
4401 173 H 16.5611 17.6112 3.1098 0.003801 0.0041879 -0.00895866 15
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4410 182 H 14.9506 11.6607 13.0137 -0.00188005 0.00302096 0.00535782 15
4411 183 H 13.2744 11.8158 12.5623 0.00544527 -0.00542017 0.00753465 15
4412 184 H 13.7988 13.2474 10.7076 -0.00437312 -0.00552528 -0.00652162 15
4413 185 H 15.5392 13.3321 11.0804 0.00327532 -0.0114888 0.0020037 15
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4415 187 H 14.0254 10.8679 10.2225 0.00105031 -0.00304471 0.00112034 15
4416 188 H 16.4311 12.4271 9.20538 -0.00601964 0.00481814 0.00544251 15
4417 189 H 16.1435 10.771 8.73845 0.00238266 0.00798001 -0.00715947 15
4418 190 H 14.0196 11.3256 7.7014 -0.0106659 0.00780795 0.00705284 15
4419 191 H 14.0693 13.0014 8.19316 -0.00605821 -0.00493183 -0.00355814 15
4420 192 H 16.3194 13.1861 6.81108 -0.00337447 0.00324955 0.0138255 15
4421 193 H 16.1022 11.4559 6.42554 0.0157177 0.00440213 0.00177439 15
4422 194 H 14.0372 11.9339 5.21469 0.00266975 -0.00802436 0.010933 15
4423 195 H 14.188 13.6773 5.51585 0.00502088 -1.51242e-05 -0.0037432 15
4424 196 H 16.2176 13.9279 4.30907 -0.0189503 0.00773754 0.00436215 15
4425 197 H 16.3733 12.1606 4.05635 -0.00385327 -0.00452038 0.00709073 15
4426 198 H 14.0509 13.779 2.93288 -0.00356597 -0.00533813 -0.000938629 15
4427 199 H 15.6126 13.4955 2.11006 -0.00945754 -0.00226638 -0.00844595 15
4428 200 H 13.6082 11.378 3.12975 -0.00425274 0.00779112 -0.00264581 15
4429 201 H 13.8747 11.9495 1.45523 0.0174393 0.00769115 -0.0110966 15
4430 202 H 15.1522 11.0363 2.3285 0.00199694 0.00386756 0.00164335 15
4431 203 H 11.1685 17.8277 14.7201 -0.0159154 0.00446919 -0.00112485 15
4432 204 H 10.3288 19.3758 14.1875 -0.00381875 -0.00312165 5.13465e-05 15
4433 205 H 12.552 19.8547 12.8432 0.00407797 -0.00151262 -0.0080965 15
4434 206 H 12.9702 18.1948 13.2374 0.0026298 0.00413888 0.00239901 15
4435 207 H 11.0609 17.3914 11.9 0.00662439 -0.00747663 -0.0133754 15
4436 208 H 10.3297 18.9908 11.8255 0.00432912 0.00280786 0.00849363 15
4437 209 H 12.1155 19.928 10.4967 0.0115188 0.00467794 -0.00305886 15
4438 210 H 13.0415 18.4308 10.4918 0.000884504 -0.000786884 -0.00134978 15
4439 211 H 11.1341 17.1822 9.45424 -0.00499442 0.00293903 0.0191447 15
4440 212 H 10.1669 18.7102 9.44018 0.00502847 0.00439641 0.00331455 15
4441 213 H 12.1174 19.6533 7.99774 -0.0173557 0.00638083 0.00253431 15
4442 214 H 12.6843 18.0761 7.80979 -0.00586624 -0.00605865 -0.021653 15
4443 215 H 10.2053 17.4489 6.98428 0.00739611 -0.00529096 -0.00876914 15
4444 216 H 9.93443 19.1936 6.95674 0.00427618 0.00192661 -0.00432125 15
4445 217 H 11.9248 19.321 5.31167 0.00464273 0.00244978 0.00937956 15
4446 218 H 11.9045 17.5298 5.38918 -0.00577548 -0.00301738 -0.00526718 15
4447 219 H 9.3505 17.7813 4.71329 0.00159513 -0.00729344 -0.00814894 15
4448 220 H 9.79977 19.4053 4.17169 -0.000724005 -0.00126438 0.00818947 15
4449 221 H 11.0443 16.7947 3.14165 0.00321112 0.00151561 0.0008389 15
4450 222 H 9.80852 17.8086 2.33297 0.00636779 -0.000958034 -0.000246767 15
4451 223 H 11.3515 19.8111 2.28659 -0.00587689 0.00288254 0.011437 15
4452 224 H 12.5863 18.8073 2.97923 -0.00546416 0.00350062 0.000932791 15
4453 225 H 12.243 17.2227 1.01477 0.000336705 -0.00472637 0.00252841 15
4454 226 H 11.1694 18.4245 0.262714 0.00119986 0.00445974 0.000833168 15
4455 227 H 12.8809 18.7645 0.516144 -0.000157433 0.00714151 0.00580114 15
4456 228 H 2.88554 18.273 32.4971 -0.0256425 -0.00733204 -0.00628871 15
4457 229 H 2.58332 16.4927 32.5541 0.0103676 -0.00666028 0.00307979 15
4458 230 H 3.45928 16.4654 34.8409 0.000820556 0.00223342 0.00588014 15
4459 231 H 3.39425 18.2939 34.8827 -0.0040306 -0.0102054 0.0118708 15
4460 232 H 0.986437 18.3119 34.6828 0.0031992 0.00659903 0.00999355 15
4461 233 H 0.831302 16.621 34.2962 -0.00145386 0.0127527 -0.013681 15
4462 234 H 0.104226 17.0074 36.4862 -0.00206096 -0.00665641 -0.00534855 15
4463 235 H 1.37322 15.8302 36.4038 -0.00263417 -0.00428927 0.00035339 15
4464 236 H 3.04521 17.6425 37.3809 0.000139303 0.00218271 0.00118958 15
4465 237 H 1.66432 18.6845 37.4488 -0.0112996 -0.00719747 0.000622239 15
4466 238 H 0.527236 16.69 38.878 0.00208151 -0.00566631 -0.0045837 15
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4468 240 H 3.08817 17.981 39.9744 0.00668011 -0.0177443 0.001253 15
4469 241 H 1.40113 18.5833 40.1523 -0.0101846 -0.00553736 0.00626635 15
4470 242 H 0.790616 16.4494 41.4042 0.00271213 -0.00852251 -0.0086866 15
4471 243 H 2.43481 15.9328 41.2557 -0.00733123 -0.00672767 -0.0115528 15
4472 244 H 3.01534 18.1276 42.5802 0.00311266 0.00446372 0.0111273 15
4473 245 H 1.23671 18.1832 42.8896 0.00315072 0.00671136 -0.0127591 15
4474 246 H 1.38443 15.8315 43.8154 -0.00474367 0.0032144 0.00505379 15
4475 247 H 3.12195 15.8997 43.6009 0.00570323 0.00561257 0.00774188 15
4476 248 H 3.056 18.0278 45.1703 0.0186503 -0.00534199 0.00577962 15
4477 249 H 1.46317 17.6645 45.4882 -0.00185971 -0.00745055 -0.00720492 15
4478 250 H 3.72096 15.6584 46.021 -0.00626412 -0.00147664 -0.0111972 15
4479 251 H 2.97225 16.6307 47.3017 0.00505589 0.00417772 0.00169379 15
4480 252 H 2.03228 15.3531 46.4714 0.00794135 -0.00818809 -0.00527817 15
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4482 254 H 8.57491 21.4241 33.527 0.00614394 0.00511971 -0.0188198 15
4483 255 H 8.68087 20.4367 35.7599 0.00213406 0.0120666 0.0129126 15
4484 256 H 10.3703 19.9078 35.5211 0.000454083 0.00590928 0.0112043 15
4485 257 H 11.2338 21.9923 35.7328 -0.00521049 0.010608 0.0109625 15
4486 258 H 9.80269 22.8384 35.1739 -0.00436994 0.00133095 0.00393492 15
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4489 261 H 9.59656 20.5385 38.4065 -0.000607581 0.00675555 0.00738625 15
4490 262 H 11.2609 20.9974 38.0322 0.0005197 -0.00642159 0.00136011 15
4491 263 H 11.1114 21.5695 40.2921 0.00442951 0.0130324 0.000860733 15
4492 264 H 10.7847 23.067 39.4742 -0.00291871 0.00127284 0.00628665 15
4493 265 H 9.1048 23.1319 41.0664 -0.00767944 -0.00155659 0.00907198 15
4494 266 H 8.23273 22.4735 39.7143 0.00255039 0.0138192 0.000566196 15
4495 267 H 7.73053 21.2518 41.8379 -0.00597934 -0.00745756 -0.00530896 15
4496 268 H 8.44021 20.1625 40.6259 -0.00126974 0.00278675 -0.00443753 15
4497 269 H 9.08346 19.8566 42.8996 -0.00033455 0.00904214 0.00447923 15
4498 270 H 10.5335 20.1242 41.9198 0.00192167 -0.00457158 -0.00119767 15
4499 271 H 10.768 22.3701 42.7747 0.000462097 -7.81375e-05 -0.00369027 15
4500 272 H 9.16727 22.4214 43.5196 0.000767005 0.00285711 -0.00384697 15
4501 273 H 11.4053 20.5448 44.5567 -0.00583403 -0.0107975 -0.0099489 15
4502 274 H 11.0888 22.1434 45.1137 -0.00741095 -0.00239882 0.00689959 15
4503 275 H 8.79081 21.5905 45.8942 -0.00561424 0.00176274 -0.010718 15
4504 276 H 8.78581 20.0399 45.0728 -0.00360498 0.00586392 -0.00985988 15
4505 277 H 9.82042 20.2923 46.5001 0.00288951 -0.024088 -0.017186 15
4506 278 H 9.17707 12.5162 33.7819 0.00792549 -0.00394461 0.00543289 15
4507 279 H 10.539 13.5892 34.1636 0.00143876 0.00490775 0.0140894 15
4508 280 H 7.86137 13.1296 35.552 0.00497045 -0.0144111 -0.00418054 15
4509 281 H 8.77882 14.5641 35.9371 0.00834346 -0.000263167 0.00515377 15
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4511 283 H 9.91747 11.801 36.4958 0.0116109 -0.00203569 0.0204166 15
4512 284 H 8.33201 12.3603 38.2192 -0.00261709 0.00209407 0.0139261 15
4513 285 H 8.79413 14.032 38.3408 -0.0146703 -0.00661735 0.00172257 15
4514 286 H 11.0256 13.5315 39.1749 -0.00215155 0.000252708 -0.00855218 15
4515 287 H 10.7748 11.786 39.0235 -0.00398206 -0.00425869 0.0082706 15
4516 288 H 8.68208 12.026 40.5617 0.00108719 0.00247206 0.00540203 15
4517 289 H 9.03258 13.7052 40.7412 -0.00688069 -0.0033121 0.00492231 15
4518 290 H 11.334 13.1657 41.7868 0.00499884 -0.00348923 0.00218109 15
4519 291 H 10.8633 11.4805 41.6089 0.0167178 0.000896092 0.000313954 15
4520 292 H 8.97989 11.8593 43.0727 0.00491532 -0.00422321 -0.00326629 15
4521 293 H 9.25782 13.6045 43.1699 0.00987058 0.00393298 0.00564526 15
4522 294 H 11.4853 13.0979 44.3466 0.00259157 -0.00712776 0.000819555 15
4523 295 H 11.0465 11.4007 44.256 -0.00818655 7.59652e-05 0.0102854 15
4524 296 H 8.9331 11.8742 45.6047 0.00540602 -0.00481036 0.0125715 15
4525 297 H 9.53386 13.5499 45.7514 0.00138647 -0.00021455 -0.00891395 15
4526 298 H 10.8007 10.9751 46.7745 -0.00276723 -0.005072 0.0157303 15
4527 299 H 9.92378 12.1492 47.7337 -0.00101102 0.000758304 -0.00780931 15
4528 300 H 12.6142 12.5894 46.394 0.00474124 0.00629378 0.00561349 15
4529 301 H 12.1641 12.4696 48.1816 -0.00565562 -7.99705e-05 0.000473064 15
4530 302 H 11.7469 13.8878 47.1766 0.00682933 0.00145827 -0.00350343 15
4531 1 C 13.4618 26.9433 31.4139 -0.00211625 -0.00726434 -0.000948729 16
4532 2 C 13.5983 26.8821 30.0332 0.00262489 0.00100848 -0.00192881 16
4533 3 C 13.1109 25.8073 29.3174 -0.00322481 -0.00408599 -0.00205732 16
4534 4 C 12.5093 24.7641 30.0378 -0.0023334 0.00100214 -0.00441858 16
4535 5 C 12.3358 24.8261 31.471 -0.00422196 0.00312845 -0.00237599 16
4536 6 C 12.7998 25.9436 32.1871 -0.00251723 0.00208605 -0.00333339 16
4537 7 C 7.883 23.8824 30.7148 -0.0018096 -0.00391072 0.0023268 16
4538 8 C 8.13007 23.8409 29.3181 -0.00138635 0.00315858 0.000346632 16
4539 9 C 9.46207 23.7089 28.8375 0.00675628 0.00412195 0.000450572 16
4540 10 C 10.4698 23.6227 29.7748 -0.00107392 -0.00055688 -0.00088107 16
4541 11 C 10.2313 23.7047 31.181 -0.00178723 -0.0032113 -0.0013212 16
4542 12 C 8.92317 23.7994 31.6797 -0.000974839 0.00356166 -0.000821114 16
4543 13 C 13.6621 20.3305 31.6009 -0.000652248 0.0032313 0.00118602 16
4544 14 C 13.7972 20.3494 30.2117 0.00278021 -0.00689615 0.00317728 16
4545 15 C 13.1997 21.3535 29.4875 0.00144898 -0.00309021 -0.00367012 16
4546 16 C 12.4669 22.3656 30.1442 0.000658541 -7.0933e-05 0.00595918 16
4547 17 C 11.9265 23.5652 29.3818 0.00184 0.000425496 0.000340406 16
4548 18 O 12.7975 21.1389 33.6727 -0.00150446 0.000695447 0.00134768 16
4549 19 O 8.67277 23.9376 33.0489 -0.00104186 -0.00010958 0.000363375 16
4550 20 O 12.6545 26.0454 33.5789 -0.00240465 0.000402938 -0.00152939 16
4551 21 C 12.9327 21.3245 32.2878 0.00252889 -0.000622469 0.000971948 16
4552 22 C 12.2589 23.4712 27.9495 0.00323165 0.00286129 -0.00220072 16
4553 23 C 12.808 23.4165 26.8707 -0.00581189 -0.00114344 -0.00115479 16
4554 24 C 13.5432 23.3774 25.6279 -0.00708101 0.0014147 -0.00067838 16
4555 25 C 14.7377 22.6065 25.5553 0.00325391 -0.000939722 0.00355487 16
4556 26 C 15.5917 22.6767 24.4208 0.00183231 0.00192177 0.000667639 16
4557 27 C 15.201 23.4584 23.3364 -0.00270834 -0.00300975 0.000820908 16
4558 28 C 13.9893 24.2024 23.3941 -0.00309505 -0.000190296 -0.00287239 16
4559 29 C 13.1651 24.2017 24.5357 -0.00107267 -0.00156175 -0.00598612 16
4560 30 C 15.9361 23.5189 22.0996 -0.00057471 0.00124295 -0.0019057 16
4561 31 C 16.4201 23.5922 20.9964 -0.00298228 -0.0017693 0.00105331 16
4562 32 C 14.9282 20.4289 18.5107 -0.00121417 0.00137308 0.0009325 16
4563 33 C 15.0093 20.5387 17.1344 -4.82872e-05 0.000699143 0.00198992 16
4564 34 C 15.6552 21.6353 16.531 0.000359299 0.00368001 -0.00208689 16
4565 35 C 16.2529 22.5734 17.3832 -8.43425e-05 0.00161344 0.000298995 16
4566 36 C 16.1147 22.4995 18.7836 0.00184347 -0.00562389 0.00060998 16
4567 37 C 15.4266 21.4034 19.3635 0.0017598 -0.00173967 0.000519147 16
4568 38 C 16.7457 23.6592 19.5605 -0.00121633 -0.000790366 0.00363835 16
4569 39 C 20.5994 23.9545 19.3882 -0.00300086 0.00675576 -0.000359575 16
4570 40 C 20.7302 23.876 18.0227 -0.00112945 -0.00110623 0.00197313 16
4571 41 C 19.6299 23.7258 17.1442 0.00448256 0.00105263 0.000155683 16
4572 42 C 18.3638 23.7268 17.7158 -0.001588 0.00171332 0.000123509 16
4573 43 C 18.1844 23.7301 19.1444 -0.000204149 -0.00463623 0.00232074 16
4574 44 C 19.3159 23.8988 19.9797 -0.00216915 0.000582468 -0.000787898 16
4575 45 C 15.3379 27.2115 18.8396 -0.00604671 0.00440018 -0.00144063 16
4576 46 C 15.5716 27.2543 17.4533 -0.00134066 0.00375198 -0.00473568 16
4577 47 C 16.0653 26.1572 16.7693 -0.000978179 0.000517229 -0.00367142 16
4578 48 C 16.3682 24.9766 17.5114 0.00400645 0.00131743 0.000317329 16
4579 49 C 17.0523 23.7647 16.9198 -0.000562608 0.00228245 -0.00431541 16
4580 50 C 16.1577 24.9102 18.9154 1.17617e-06 -0.00268409 -0.00296668 16
4581 51 C 15.6312 26.0452 19.579 0.000943788 0.000484177 0.00163963 16
4582 52 O 19.7961 23.7477 15.7764 -0.0007849 0.00118294 0.00307114 16
4583 53 O 15.6968 21.8741 15.1582 -9.23077e-05 0.00328298 0.00307831 16
4584 54 O 16.3393 26.2662 15.4291 0.00444047 -0.00173225 -0.00126272 16
4585 55 C 11.5202 23.6354 32.0471 -0.00213143 0.00214477 0.00109594 16
4586 56 C 12.3219 22.3653 31.5491 0.00208782 0.000575702 0.00660953 16
4587 57 C 19.5971 22.5715 14.9708 -0.000138981 0.00159889 0.000666314 16
4588 58 C 18.6827 22.8497 13.7169 0.00341789 0.00168827 -4.02641e-06 16
4589 59 C 19.3872 22.9185 12.3293 0.00348306 0.00214115 0.00287384 16
4590 60 C 18.3851 23.0616 11.1464 0.00280463 -0.00278122 0.00699304 16
4591 61 C 19.0875 23.4865 9.83286 -0.000255462 0.00085905 0.00235191 16
4592 62 C 18.2757 23.2209 8.56189 0.00187925 -0.00400508 -0.00308712 16
4593 63 C 19.0847 23.6491 7.31634 0.00365827 0.000595353 -0.00033188 16
4594 64 C 18.3014 23.3136 6.02146 0.00054467 -0.00286981 -0.00756991 16
4595 65 C 18.948 23.848 4.7163 0.000115257 -0.0028867 -4.8815e-05 16
4596 66 C 18.065 23.5753 3.47748 -0.00098849 0.0025819 -0.00153625 16
4597 67 C 18.5713 24.2294 2.18733 0.00304569 -0.000795143 -0.000323855 16
4598 68 C 19.8071 23.6248 1.53962 -0.00178061 -0.00138253 0.00110557 16
4599 69 F 16.7177 21.981 24.3976 0.000839248 -0.00101715 0.00274097 16
4600 70 C 15.3293 20.8788 14.1958 -0.00272055 -0.00189183 -0.00231142 16
4601 71 C 15.2124 21.6326 12.8797 0.00255331 -0.00227213 0.00272752 16
4602 72 C 15.2731 20.7038 11.639 -0.00358123 0.00108257 -0.00172651 16
4603 73 C 15.0215 21.4144 10.2989 -0.00123001 0.000826785 0.00238177 16
4604 74 C 15.0765 20.4956 9.03798 0.00334329 -0.00133638 0.00349826 16
4605 75 C 15.1589 21.243 7.67771 0.00259634 0.00117099 0.0026739 16
4606 76 C 15.2426 20.1843 6.57272 -0.00156293 -0.00252009 -0.00205288 16
4607 77 C 15.5847 20.6727 5.1544 -0.0031833 0.000363705 0.00665819 16
4608 78 C 14.752 21.7951 4.54975 0.00070136 -0.00305863 0.00200487 16
4609 79 C 14.4116 21.5283 3.07355 0.00180966 -0.00238364 -0.00115755 16
4610 80 C 15.5145 21.5459 2.01472 0.000324191 0.000977958 -0.00156652 16
4611 81 C 15.0049 21.0764 0.632256 0.00174213 0.0033857 -0.00337453 16
4612 82 C 17.7249 26.4009 15.1534 -0.00402692 0.000306793 0.00161498 16
4613 83 C 18.0097 26.4246 13.6821 0.00176132 0.00319128 -0.000106391 16
4614 84 C 17.8684 27.862 13.1623 -0.00358925 0.00427273 -0.000735592 16
4615 85 C 18.5712 28.1476 11.817 0.000885578 -0.00290856 0.00172414 16
4616 86 C 17.9896 27.4145 10.6163 0.00138438 -0.00124445 0.00222965 16
4617 87 C 18.6288 28.0005 9.38267 -0.00225237 -0.00322012 -0.000815093 16
4618 88 C 17.9691 27.4281 8.09868 -4.1712e-05 0.00335996 -9.6271e-05 16
4619 89 C 18.5129 28.0324 6.80603 -0.00526977 -0.000487058 -0.00345343 16
4620 90 C 17.7092 27.409 5.63657 -0.00105317 0.0014671 -0.00326487 16
4621 91 C 18.2251 27.796 4.24381 -0.00020449 0.000989831 0.000151277 16
4622 92 C 17.1823 27.3671 3.21482 -0.00116456 -0.0024378 -0.000898078 16
4623 93 C 17.5773 27.6264 1.76135 0.00295958 0.00211037 -0.000201026 16
4624 94 C 7.35075 23.6541 33.5076 0.00664813 0.000616949 -0.00125299 16
4625 95 C 7.14539 23.9366 35.04 -0.00427498 -0.00396758 -0.00260493 16
4626 96 C 5.68081 23.5934 35.4875 -0.00328497 0.00122247 0.00136764 16
4627 97 C 5.21293 24.2335 36.8332 -0.00452745 0.000802076 0.00472029 16
4628 98 C 5.87413 23.7252 38.1338 -0.000407434 -0.00573184 -0.00112464 16
4629 99 C 5.29812 24.4919 39.3014 0.00373788 0.00074475 0.00261106 16
4630 100 C 6.12601 24.5419 40.5971 0.00198809 -0.00015136 0.00249173 16
4631 101 C 5.6138 23.7009 41.7588 0.000598069 -0.00421483 -0.00119406 16
4632 102 C 6.30782 24.1149 43.0622 0.00110211 0.00210252 0.00120603 16
4633 103 C 5.88229 23.291 44.308 -0.000715832 0.00361241 0.0013452 16
4634 104 C 6.64013 23.866 45.5455 0.00246314 0.00111967 -4.41798e-05 16
4635 105 C 6.15465 23.1474 46.7908 0.00192978 -0.00235024 -0.00244042 16
4636 106 C 13.3224 27.1909 34.2322 -0.00317114 0.0014246 -0.00311674 16
4637 107 C 13.1713 27.3014 35.7234 -0.000828759 0.00249408 -0.000613569 16
4638 108 C 13.894 28.5005 36.3749 -0.00284654 -0.00272959 -0.00132324 16
4639 109 C 14.2888 28.2755 37.8592 0.00310246 -0.000548043 -0.00219858 16
4640 110 C 13.1001 28.2443 38.8243 -0.000783877 0.00151025 0.00518409 16
4641 111 C 13.5244 27.8017 40.2067 -0.00141272 0.00092965 -0.000662606 16
4642 112 C 14.145 28.9745 41.0279 0.00467287 0.00118505 0.00236762 16
4643 113 C 14.1162 28.624 42.5127 -0.00377178 0.00206417 0.00289221 16
4644 114 C 14.3385 29.8273 43.4692 0.000273871 0.000765816 -1.82651e-05 16
4645 115 C 14.3347 29.457 44.966 -0.0025343 0.000305093 -0.000768709 16
4646 116 C 13.2424 28.4045 45.3356 0.00100008 0.00400802 -0.000665865 16
4647 117 C 13.0772 28.1862 46.8496 0.000672789 0.00305209 0.00435068 16
4648 118 C 13.3076 19.9851 34.4087 -0.000711553 0.00341229 0.00553898 16
4649 119 C 13.3661 20.2807 35.8857 -0.00450407 -0.000325671 -0.00130498 16
4650 120 C 14.0039 19.171 36.7634 0.00395692 0.00071934 -0.00397328 16
4651 121 C 14.0559 19.675 38.2113 -0.00227375 -0.00201832 -0.00235198 16
4652 122 C 14.2581 18.5615 39.2703 0.00288373 -0.0014821 -0.00178586 16
4653 123 C 14.6432 19.0372 40.6945 0.00118391 -0.00325234 -0.0011653 16
4654 124 C 13.601 19.9386 41.3535 0.00169927 -0.000362769 -0.00700611 16
4655 125 C 14.0144 20.336 42.7793 -0.00106356 -0.000329519 -0.00303305 16
4656 126 C 13.9745 19.2548 43.878 0.00238152 -0.0023544 0.00362818 16
4657 127 C 14.6268 19.7701 45.1852 -2.01248e-05 0.000961742 -0.00436355 16
4658 128 C 14.1273 19.0493 46.4149 -0.00580431 -0.000110393 0.0012354 16
4659 129 C 12.6596 19.3914 46.714 -0.00192395 -0.004747 0.00493252 16
4660 130 F 15.0831 21.8107 26.6291 -0.0011875 -0.0021103 0.000872835 16
4661 131 H 13.8718 27.812 31.9206 -0.00463008 -0.0113859 0.0081919 16
4662 132 H 14.0491 27.7163 29.5038 0.00476096 0.00334716 0.00357283 16
4663 133 H 13.2084 25.7983 28.2358 -0.00961429 0.00402473 -0.00269851 16
4664 134 H 6.8383 23.9827 30.994 0.000899899 -0.00771898 0.0137844 16
4665 135 H 7.281 23.8071 28.6418 0.00386716 0.000989637 -0.00613332 16
4666 136 H 9.60085 23.6784 27.7608 -0.00576867 0.00860314 -0.00132919 16
4667 137 H 13.9891 19.4243 32.1021 -0.00321949 0.000932145 -0.0012768 16
4668 138 H 14.3382 19.5507 29.713 0.00218386 -0.0060908 0.00124596 16
4669 139 H 13.2997 21.3257 28.4064 0.00145538 0.0205661 -0.00430953 16
4670 140 H 13.7373 24.8141 22.5328 0.00206387 0.00677035 0.000554449 16
4671 141 H 12.2303 24.7543 24.5437 -0.00541454 -0.00898724 0.000383341 16
4672 142 H 14.4372 19.5918 18.9981 -0.0119847 -0.00050797 -0.0132126 16
4673 143 H 14.5588 19.7621 16.5235 -0.00317176 -0.00376879 0.00997632 16
4674 144 H 15.232 21.3518 20.4307 -0.00792687 0.0151262 -0.000398187 16
4675 145 H 21.4744 24.0601 20.0227 0.00503623 -0.00273914 -0.00987514 16
4676 146 H 21.7293 23.9202 17.5992 0.00358352 -0.00596248 0.0125716 16
4677 147 H 19.224 24.045 21.0519 0.00537925 -0.00480813 0.000593049 16
4678 148 H 14.8872 28.0722 19.3249 -0.00666661 0.000128535 0.00554962 16
4679 149 H 15.3288 28.1798 16.9397 0.00698306 0.0034739 -0.00914948 16
4680 150 H 17.1539 23.8471 15.8306 0.00513176 -0.010678 -0.00474613 16
4681 151 H 15.4578 26.0603 20.651 0.00852467 0.0138115 0.00268347 16
4682 152 H 11.2916 23.7205 33.1166 0.0185654 -0.0111471 0.00652842 16
4683 153 H 20.5592 22.1434 14.6636 0.000817548 0.0159942 -0.0164246 16
4684 154 H 19.1237 21.8348 15.6316 0.00452215 -0.00253511 -0.000604563 16
4685 155 H 18.1319 23.788 13.8569 -0.00133148 0.00191929 -0.0202264 16
4686 156 H 17.9505 22.0329 13.7216 0.000312543 0.00448208 0.00145697 16
4687 157 H 19.9815 22.0085 12.181 0.00616752 0.00563958 -0.00779062 16
4688 158 H 20.0305 23.8041 12.2566 0.0120598 -0.00449577 -0.00193175 16
4689 159 H 17.5456 23.731 11.3717 0.000508088 -0.00659957 0.00980097 16
4690 160 H 17.9427 22.0658 11.0195 0.00134896 -0.00124001 1.87881e-05 16
4691 161 H 20.0614 22.9871 9.75861 -0.0118177 -0.0204702 -0.00574912 16
4692 162 H 19.2486 24.57 9.89174 -0.00118015 0.000758597 0.00678415 16
4693 163 H 17.3363 23.7796 8.65597 0.00891677 0.00503552 0.0138451 16
4694 164 H 18.0593 22.146 8.52576 0.0154249 -0.00684839 0.000169913 16
4695 165 H 20.0545 23.1366 7.30384 0.0019698 -0.00304024 0.0174525 16
4696 166 H 19.2341 24.7351 7.27304 0.0138444 -0.000799071 0.000243412 16
4697 167 H 17.2833 23.7175 6.08214 0.000476795 -0.0038559 -0.00221162 16
4698 168 H 18.2123 22.2229 5.94477 -0.000326776 -0.00404629 0.0102465 16
4699 169 H 19.9496 23.4181 4.59269 0.00308911 0.00455127 -0.00191274 16
4700 170 H 19.1384 24.925 4.80242 -0.014091 0.00100305 -0.0174407 16
4701 171 H 17.0533 23.9503 3.67585 0.00436594 0.013137 0.00576727 16
4702 172 H 17.9211 22.496 3.34417 0.00267232 0.00255162 -0.0051964 16
4703 173 H 18.891 25.254 2.41412 0.0111226 -0.00597484 0.0116847 16
4704 174 H 17.7143 24.3208 1.50869 0.00696832 -0.00622274 -0.00597843 16
4705 175 H 20.677 24.0055 2.08897 -0.00377101 -0.0149764 0.0136669 16
4706 176 H 19.833 23.9981 0.5084 0.0096115 -0.00632336 -0.000382724 16
4707 177 H 19.8413 22.5288 1.50902 -0.00109042 -0.00125825 -0.00268855 16
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4709 179 H 14.3807 20.3982 14.4653 0.000590374 -0.00473009 0.00430796 16
4710 180 H 14.2355 22.1289 12.9321 -0.00313894 -0.013535 0.00354559 16
4711 181 H 15.9874 22.4042 12.7939 -0.0028107 0.00364451 0.00754872 16
4712 182 H 16.2577 20.2203 11.6197 -0.0053223 -0.002934 0.00955815 16
4713 183 H 14.5406 19.8952 11.7531 -0.00792385 0.00853735 0.0232542 16
4714 184 H 14.0604 21.9404 10.2441 -0.00206283 -0.00130384 -0.00371076 16
4715 185 H 15.8008 22.1802 10.2003 0.00245482 -0.00453064 -0.0101326 16
4716 186 H 15.9163 19.7973 9.14093 0.000109668 -0.00415185 0.0108019 16
4717 187 H 14.1761 19.8748 8.95207 0.000755782 0.00234361 0.0040275 16
4718 188 H 14.2444 21.8411 7.58056 0.0033352 0.00208885 0.00140709 16
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4720 190 H 16.046 19.4998 6.87145 -0.000328458 -0.00173572 -0.00357597 16
4721 191 H 14.282 19.6567 6.5234 0.00421095 -0.014003 0.00868851 16
4722 192 H 16.6284 21.0024 5.081 0.0018997 -0.0171766 0.000182372 16
4723 193 H 15.5303 19.8017 4.48973 -0.00645756 -0.00321171 0.0116208 16
4724 194 H 13.844 21.8673 5.16114 0.00353661 0.0133454 0.00425709 16
4725 195 H 15.2906 22.7494 4.60059 0.00404019 -0.00486941 0.000638325 16
4726 196 H 13.7831 20.6328 2.99281 0.00333373 -0.00217689 -0.0152608 16
4727 197 H 13.657 22.2983 2.87062 0.00289674 0.00280149 0.0142885 16
4728 198 H 15.9986 22.5287 1.95795 -0.00615672 0.00430219 0.000871965 16
4729 199 H 16.2947 20.8721 2.38975 0.00180951 -0.00268625 -0.0112921 16
4730 200 H 15.7647 21.1915 -0.150617 0.00116463 0.0153188 -0.00216657 16
4731 201 H 14.8341 19.995 0.700867 -0.00175523 0.00447429 0.00505163 16
4732 202 H 14.1047 21.5948 0.279752 -0.00379953 -0.00212676 0.00270574 16
4733 203 H 18.0097 27.344 15.636 0.00395298 0.00354927 -0.00947846 16
4734 204 H 18.3098 25.5676 15.562 0.00133354 -0.000136605 -0.00692624 16
4735 205 H 19.045 26.1015 13.5173 -6.15852e-05 0.00251461 -0.0102393 16
4736 206 H 17.3576 25.757 13.1055 -0.0037794 0.0177633 -0.0107486 16
4737 207 H 16.7971 28.0843 13.0836 -0.00431118 0.000432061 -0.00168267 16
4738 208 H 18.2415 28.5404 13.9395 -0.00212822 -0.009169 0.0103246 16
4739 209 H 18.4403 29.226 11.6646 0.00532819 -0.0020139 0.00420405 16
4740 210 H 19.6583 28.0303 11.9063 0.00119793 0.000892914 0.00299619 16
4741 211 H 18.201 26.3435 10.7248 0.00299909 -0.00295443 -0.0180178 16
4742 212 H 16.8934 27.4402 10.5839 0.00145606 -0.00678405 -0.00501659 16
4743 213 H 18.4875 29.0883 9.37246 -0.00613471 -0.00368479 0.00395169 16
4744 214 H 19.7198 27.8883 9.36304 -0.000708298 0.00914563 0.0142011 16
4745 215 H 18.0285 26.334 8.15339 -0.00974564 0.00268263 -0.00298428 16
4746 216 H 16.8923 27.6171 8.18956 5.5739e-05 0.000864696 0.00641693 16
4747 217 H 18.3987 29.1231 6.83286 0.0238224 0.00235857 0.00555022 16
4748 218 H 19.5855 27.8625 6.65083 -0.00632911 -0.00485455 -0.00597578 16
4749 219 H 17.6426 26.3168 5.71519 0.00322015 0.00152904 0.00111975 16
4750 220 H 16.6669 27.7397 5.72402 -0.000696086 0.0047082 -0.0112473 16
4751 221 H 18.3556 28.8851 4.26414 -0.014406 0.00270006 -0.000193221 16
4752 222 H 19.2046 27.3181 4.11869 0.000129663 0.00238456 -0.00251464 16
4753 223 H 17.0075 26.2901 3.3288 -0.0137486 -0.00165373 -0.0127734 16
4754 224 H 16.2181 27.8452 3.42729 -0.00522318 -0.00912994 -0.00422046 16
4755 225 H 16.7828 27.3558 1.05492 0.00522065 -0.0183768 0.00510311 16
4756 226 H 17.8358 28.6781 1.5867 -0.0100809 0.00435456 -0.00590281 16
4757 227 H 18.46 27.053 1.45238 0.00478705 0.0033513 0.0027257 16
4758 228 H 6.65034 24.3144 32.9814 -0.000157974 0.00623919 0.0148526 16
4759 229 H 7.07099 22.619 33.2761 0.0063845 -0.000853166 0.00562471 16
4760 230 H 7.8167 23.3199 35.6503 0.00171299 0.00195067 -0.00321144 16
4761 231 H 7.39209 24.9771 35.2849 -0.00454711 -0.00266688 -0.00786967 16
4762 232 H 5.0065 23.9359 34.6929 0.0023615 0.00813351 -0.000451679 16
4763 233 H 5.5241 22.5097 35.5553 0.0101691 -0.000546703 0.00411541 16
4764 234 H 5.39024 25.316 36.8485 0.004817 -0.0005744 -0.00742315 16
4765 235 H 4.13933 24.0834 37.0013 -0.00427874 -0.00809769 -0.00173541 16
4766 236 H 5.64253 22.6607 38.2631 -0.000290605 -0.00593198 -0.00255614 16
4767 237 H 6.96864 23.7823 38.0871 0.00102003 -0.0204079 0.014095 16
4768 238 H 5.15409 25.5286 38.9728 0.00791505 -0.000551297 -0.00331186 16
4769 239 H 4.29161 24.1248 39.5372 0.00291235 0.00731013 0.00934138 16
4770 240 H 7.18466 24.3155 40.4198 0.00128865 -0.0104893 0.0114673 16
4771 241 H 6.10177 25.5822 40.9443 0.00330476 0.00642341 -0.0171335 16
4772 242 H 4.52746 23.7503 41.9031 0.000324935 -0.00376212 -0.00342531 16
4773 243 H 5.78439 22.6602 41.4567 -0.0122581 -0.00683746 0.000530752 16
4774 244 H 7.39237 24.0141 42.9318 0.00257478 0.00202471 0.0135114 16
4775 245 H 5.99172 25.1387 43.2978 -0.00266623 0.000458959 0.00336134 16
4776 246 H 4.79715 23.351 44.4573 -0.000701036 0.00202498 0.00209653 16
4777 247 H 6.1002 22.22 44.2141 -0.00564248 0.00249574 0.00258954 16
4778 248 H 7.73014 23.7761 45.4605 0.00238642 0.00510673 -0.00519085 16
4779 249 H 6.35046 24.9208 45.6287 -0.000624957 0.000787354 -0.00643675 16
4780 250 H 6.08209 22.0638 46.6361 0.000182993 -0.00123233 -0.00939307 16
4781 251 H 6.85618 23.2578 47.6269 -0.00272395 0.00318934 0.000736308 16
4782 252 H 5.2059 23.5424 47.1746 -6.07631e-05 -0.0098743 0.000382364 16
4783 253 H 14.3887 27.1922 33.9745 -0.00798255 0.0121927 -0.0230448 16
4784 254 H 12.8608 28.0905 33.8066 0.0107901 0.00665161 -0.00718265 16
4785 255 H 12.1106 27.3167 36.003 0.00354231 0.0144908 0.0153503 16
4786 256 H 13.6681 26.397 36.0957 0.00546643 0.00414665 -0.00497016 16
4787 257 H 14.8112 28.7077 35.8098 -0.00163577 -0.0139206 -0.00348989 16
4788 258 H 13.2522 29.3898 36.3493 -0.00641606 -0.00531557 -0.00177346 16
4789 259 H 14.8719 27.3506 37.9484 0.00273572 0.00017546 0.00764558 16
4790 260 H 14.9519 29.0854 38.1876 0.00525569 -0.00232537 -0.00216493 16
4791 261 H 12.7053 29.2677 38.8361 -0.00189028 0.000972131 0.0133723 16
4792 262 H 12.2729 27.6284 38.4504 -0.0034887 0.000821544 0.0122951 16
4793 263 H 12.6774 27.3572 40.7438 -0.000201361 0.0113848 0.00989162 16
4794 264 H 14.2341 26.9658 40.1777 0.0013285 0.00356878 -0.00910898 16
4795 265 H 15.1784 29.0953 40.6803 0.00773614 -0.00945426 0.00772414 16
4796 266 H 13.6051 29.9267 40.9548 -0.00751385 -0.00672827 -0.0101068 16
4797 267 H 13.1411 28.1576 42.6997 -0.00246163 -0.00130539 0.00135432 16
4798 268 H 14.8564 27.8263 42.6508 0.00209048 0.00659896 -0.00231606 16
4799 269 H 15.232 30.4138 43.2217 -0.00943745 0.0178786 0.00542192 16
4800 270 H 13.4744 30.4882 43.3285 0.00582826 0.0105014 0.0117034 16
4801 271 H 15.3028 29.0347 45.2622 -0.00186057 -0.00709561 -0.0135602 16
4802 272 H 14.1721 30.368 45.5551 0.0203103 0.0116626 -0.012053 16
4803 273 H 12.2683 28.7231 44.9444 0.00231552 0.00193857 -0.00562575 16
4804 274 H 13.4728 27.459 44.8292 -0.0126927 0.000967545 -0.00121907 16
4805 275 H 12.5413 27.252 47.0579 0.00434686 0.00126442 0.00578349 16
4806 276 H 14.0452 28.1806 47.3658 0.0039457 0.0059094 -0.0017538 16
4807 277 H 12.5291 29.0337 47.2794 -0.00788237 0.00525565 -0.0109349 16
4808 278 H 12.6692 19.1166 34.2044 0.0100892 0.000250033 -0.0147772 16
4809 279 H 14.3536 19.7636 34.1632 -0.00617547 -0.0157767 -0.000352411 16
4810 280 H 12.3558 20.3994 36.2962 -0.00348227 -0.00209173 0.00173363 16
4811 281 H 13.9631 21.197 35.9715 -0.00484668 0.000734121 -0.0100778 16
4812 282 H 15.0044 18.9214 36.389 0.00980327 0.000680307 0.0117065 16
4813 283 H 13.411 18.2484 36.7374 0.0105708 -0.00349498 -0.00533826 16
4814 284 H 13.1675 20.2821 38.4249 0.000225388 -0.00131148 0.0059898 16
4815 285 H 14.8759 20.4022 38.2582 0.00107542 -0.00579096 -0.00248149 16
4816 286 H 15.0449 17.9081 38.8735 0.00279397 -0.00392473 0.00206939 16
4817 287 H 13.3691 17.925 39.3588 -0.0105838 0.0164072 -0.00887916 16
4818 288 H 15.6082 19.5574 40.655 0.000725028 -0.00148937 0.0107386 16
4819 289 H 14.8155 18.1948 41.3757 -0.00420581 -0.00225412 0.00143182 16
4820 290 H 12.6588 19.3767 41.3453 -0.000208741 0.00279277 -0.00278989 16
4821 291 H 13.4659 20.8264 40.7235 -0.00380729 -0.0119361 -0.022169 16
4822 292 H 13.46 21.2162 43.1275 -0.0065695 -0.00433614 -0.00172729 16
4823 293 H 15.0366 20.7324 42.742 -0.00438426 0.00905044 0.00522872 16
4824 294 H 14.5751 18.4062 43.5278 0.00588945 0.00150198 0.000284076 16
4825 295 H 12.9798 18.8317 44.0648 0.00419779 -0.00842672 -0.000409527 16
4826 296 H 14.453 20.8441 45.3258 0.00068636 0.00157713 -0.00819503 16
4827 297 H 15.7168 19.6576 45.1352 -0.000302297 -0.00592229 0.00492621 16
4828 298 H 14.7207 19.4699 47.2362 0.0117762 -0.0224784 -6.41208e-05 16
4829 299 H 14.3065 17.9679 46.3709 -0.00768613 -0.000355976 -0.00035857 16
4830 300 H 12.3106 19.0158 47.6838 -0.0126038 0.00409869 0.00453871 16
4831 301 H 12.0345 18.9154 45.9485 0.00327433 -0.011233 0.00469208 16
4832 302 H 12.5227 20.4734 46.8325 -0.00535392 -0.00309827 -0.0146433 16
4833 1 C 17.4339 20.2509 31.1622 -0.0059298 0.00064173 5.78394e-05 17
4834 2 C 17.6709 20.1014 29.8079 -0.00279874 -0.0026293 0.00135453 17
4835 3 C 17.228 18.9517 29.1889 0.00217032 -0.00151501 0.00137665 17
4836 4 C 16.4873 17.9892 29.891 -0.00153619 0.00146484 -0.000400076 17
4837 5 C 16.2689 18.1015 31.2856 0.00423272 -0.00116526 -0.00189996 17
4838 6 C 16.7569 19.2631 31.937 0.0044975 0.00169658 0.00115717 17
4839 7 C 11.7545 17.0424 30.6174 -0.000244712 0.0017322 -0.0020224 17
4840 8 C 12.0227 17.0237 29.241 -0.00149006 -0.00136476 0.00178658 17
4841 9 C 13.3492 16.9301 28.7423 -0.0027308 0.00269862 -0.000688665 17
4842 10 C 14.4029 16.8965 29.659 6.02057e-05 0.00420167 0.000855725 17
4843 11 C 14.1599 16.9297 31.0796 -0.00173393 -0.000743086 0.0030729 17
4844 12 C 12.8205 17.0089 31.5501 0.00225566 0.00381249 0.00411283 17
4845 13 C 17.3779 13.4566 31.6133 0.000724548 -0.00218986 0.00511945 17
4846 14 C 17.5155 13.4163 30.2288 -0.000159516 0.00111874 0.00135032 17
4847 15 C 17.0282 14.4575 29.4238 -0.00466582 -9.83786e-05 0.000873364 17
4848 16 C 16.3721 15.531 30.0711 0.00181408 0.000809779 -0.00321781 17
4849 17 C 15.8395 16.7521 29.2838 0.007423 0.000859801 0.00156212 17
4850 18 O 16.5261 14.3634 33.6739 0.000928296 -0.000936212 0.00193412 17
4851 19 O 12.5178 17.0229 32.92 -0.00131211 0.00141234 0.00119391 17
4852 20 O 16.5675 19.4971 33.2859 0.00247244 -0.00204187 -0.00371377 17
4853 21 C 16.6804 14.4767 32.256 -0.00366738 -0.00240851 8.86448e-05 17
4854 22 C 16.1737 16.6366 27.8404 0.00136527 -0.00213774 -0.000218437 17
4855 23 C 16.7209 16.5628 26.7634 -0.00327669 -0.00323309 0.00058909 17
4856 24 C 17.5416 16.531 25.578 0.00440716 0.00158804 0.000735633 17
4857 25 C 18.2097 15.3389 25.1723 -0.00318856 3.5348e-05 -0.00213248 17
4858 26 C 19.1714 15.4193 24.1591 0.00120312 -0.00167773 0.000566651 17
4859 27 C 19.4624 16.6798 23.5763 -0.00131924 -0.000455331 -0.00237815 17
4860 28 C 18.8517 17.8649 24.0075 -0.00116327 0.00140674 -0.00319642 17
4861 29 C 17.8862 17.7774 25.0543 -0.00285215 0.00339345 -0.000853527 17
4862 30 C 20.224 16.7378 22.3996 -0.00289035 0.00105005 -0.00241228 17
4863 31 C 20.6428 16.7668 21.2524 -0.0015237 -0.000765911 -0.00108733 17
4864 32 C 19.2068 13.5131 18.7772 -0.000535007 -0.000386527 0.00416915 17
4865 33 C 19.3854 13.5658 17.3836 0.00418707 0.00228853 -0.00352468 17
4866 34 C 20.0001 14.7196 16.7683 -0.00347405 -0.00248176 -0.00181999 17
4867 35 C 20.3715 15.783 17.602 -0.000595834 0.00469188 0.001531 17
4868 36 C 20.2081 15.6728 19.0038 -0.00921996 -7.95738e-05 -0.000454675 17
4869 37 C 19.6127 14.5655 19.607 0.00228738 -0.00570121 -0.00424891 17
4870 38 C 20.8511 16.8214 19.8045 0.00255667 0.000605761 0.00170508 17
4871 39 C 24.7593 16.8353 19.4167 0.00176121 -0.00193033 -0.00342029 17
4872 40 C 24.7956 16.8275 18.009 -0.00124123 0.00289753 -0.00268924 17
4873 41 C 23.6254 16.866 17.2563 0.00143947 0.00123872 0.00194715 17
4874 42 C 22.3919 16.9398 17.8921 0.00242846 0.000489509 -0.000734994 17
4875 43 C 22.3051 16.8615 19.2955 -0.000585987 0.000314785 0.00235459 17
4876 44 C 23.4982 16.8271 20.0521 0.000146901 0.00540888 0.000158597 17
4877 45 C 18.755 20.1269 19.3162 0.000382729 -0.00469322 0.00389283 17
4878 46 C 18.9286 20.2514 17.9522 0.000802461 0.00252851 0.000432827 17
4879 47 C 19.7228 19.341 17.2177 -0.00219006 0.00229611 -0.00426355 17
4880 48 C 20.2998 18.1971 17.8125 0.00225256 0.000110922 0.00061821 17
4881 49 C 21.0463 17.0528 17.1657 0.00155028 -0.000539435 0.00381994 17
4882 50 C 20.1264 18.089 19.223 -0.00280826 0.00277006 -0.000748487 17
4883 51 C 19.3774 19.0222 19.9634 0.00400987 -0.00316104 0.00433141 17
4884 52 O 23.5882 16.857 15.8605 0.00317902 0.00100617 -0.00163328 17
4885 53 O 20.1283 14.8252 15.4254 0.00417875 0.0042743 -0.00130532 17
4886 54 O 19.7479 19.3865 15.8248 0.00231884 0.00483355 0.000700022 17
4887 55 C 15.4713 16.9326 31.9021 0.000287457 -0.00212709 -0.00117412 17
4888 56 C 16.2194 15.5841 31.4956 0.00325859 0.00534693 0.00190232 17
4889 57 C 24.4752 17.6176 15.0624 -2.83682e-05 0.00145806 -0.00102981 17
4890 58 C 23.9743 17.7973 13.603 0.00114944 -0.0024338 0.000611663 17
4891 59 C 22.9063 16.8344 13.0432 -0.000287253 0.00160449 -0.000436028 17
4892 60 C 22.539 17.2193 11.5787 0.000175471 0.00281965 -0.00186437 17
4893 61 C 23.3099 16.5775 10.4268 0.000754098 0.00387082 0.00186959 17
4894 62 C 22.9551 17.3553 9.10028 -0.00142744 -0.00158754 -0.0017539 17
4895 63 C 23.3946 16.5919 7.8496 0.00144546 -0.00336299 0.00220341 17
4896 64 C 23.0987 17.363 6.54593 0.00257938 -0.00115939 0.0046944 17
4897 65 C 23.3761 16.5502 5.25826 -0.00517777 -0.00165939 0.00095973 17
4898 66 C 23.5134 17.4478 4.00369 0.00281425 -0.00146477 0.00141042 17
4899 67 C 23.6744 16.6469 2.65117 0.000851508 -0.00195686 -0.00380474 17
4900 68 C 22.3524 16.4623 1.88598 0.00140835 0.00109604 -0.00136974 17
4901 69 F 19.7459 14.2956 23.7057 -0.00266791 0.000631582 -0.00376364 17
4902 70 C 21.2546 14.3245 14.6825 -0.00278611 0.000704386 0.000895433 17
4903 71 C 21.2944 12.7559 14.637 0.00577333 -0.0027942 0.00349521 17
4904 72 C 22.3274 12.1758 13.604 0.000263614 -0.0021929 0.00146748 17
4905 73 C 22.1344 12.4658 12.0846 0.000967333 0.000236859 0.00502494 17
4906 74 C 23.2125 11.6706 11.284 0.00263833 0.00228523 0.000666197 17
4907 75 C 22.8363 11.3815 9.81215 -0.00610899 -0.00109814 0.0037889 17
4908 76 C 23.0495 12.5073 8.76573 0.00012948 0.00195934 0.00347365 17
4909 77 C 22.7963 11.9432 7.33809 0.0020183 0.00390594 0.000321366 17
4910 78 C 22.9117 12.9388 6.24246 0.000323122 0.00228575 0.00514573 17
4911 79 C 22.5961 12.3252 4.88042 0.00418486 0.000879389 -0.00253339 17
4912 80 C 22.787 13.212 3.65478 -0.00144863 -0.00341624 0.000997048 17
4913 81 C 22.5044 12.5242 2.33202 -0.0061817 0.000743368 -0.00286568 17
4914 82 C 18.5551 18.9999 15.0959 -0.000576245 -0.000951069 0.00373196 17
4915 83 C 18.8002 19.4075 13.6392 -0.00307394 -0.000821158 -0.00126547 17
4916 84 C 19.4324 18.2439 12.8209 0.00290786 -0.00144713 0.00134807 17
4917 85 C 18.9539 18.2027 11.3325 0.00166443 0.00100844 0.00298488 17
4918 86 C 19.5298 19.2677 10.3834 0.0035282 0.00252652 -0.00499348 17
4919 87 C 18.9409 19.1655 8.97285 0.000588168 -0.00285945 0.000349214 17
4920 88 C 19.8827 19.6436 7.86798 0.000844726 0.00669838 -0.00147433 17
4921 89 C 19.336 19.3849 6.4249 0.00250706 0.00138706 -0.00172058 17
4922 90 C 20.2049 19.9869 5.32939 -0.000562914 -0.00181028 0.00552012 17
4923 91 C 19.5502 20.1682 3.91097 0.000504581 -0.00103131 0.00178531 17
4924 92 C 19.5316 18.863 3.06086 0.00174036 0.00314114 0.00105119 17
4925 93 C 19.112 19.1713 1.61306 1.86576e-05 -0.00106572 0.00155823 17
4926 94 C 11.1791 17.03 33.3999 0.00131776 0.00507076 0.00229745 17
4927 95 C 11.028 16.9067 34.9295 -0.00263436 -0.00207187 -0.00160614 17
4928 96 C 9.5933 17.1124 35.431 -0.00532543 0.00151512 0.00193951 17
4929 97 C 9.40613 16.8577 36.939 0.00433254 -0.000772497 -0.00274086 17
4930 98 C 10.1934 17.8423 37.82 0.000264238 0.00310956 -0.000780676 17
4931 99 C 9.86587 17.8831 39.3284 -0.00144003 -0.00134029 -0.000285832 17
4932 100 C 9.5776 16.5134 40.0378 -7.67613e-05 -0.000819296 -0.00428018 17
4933 101 C 9.48617 16.6249 41.6078 -0.00380182 -0.00288249 -0.00278326 17
4934 102 C 10.895 16.9761 42.2062 0.00184421 -0.000622595 -0.00402791 17
4935 103 C 11.0855 16.4899 43.6886 0.00402005 0.00234062 -0.00347018 17
4936 104 C 10.0546 17.0439 44.6777 0.00489953 -0.0025752 -0.00486642 17
4937 105 C 10.3752 16.5661 46.123 -0.00413644 0.00313193 -0.00184518 17
4938 106 C 17.4719 20.3707 34.0024 0.000311406 -0.00756102 -0.00351826 17
4939 107 C 16.9482 20.6993 35.3856 0.00288061 0.00330167 -0.00049188 17
4940 108 C 17.7389 21.881 36.057 -0.00781051 0.00560457 -0.00138191 17
4941 109 C 17.4647 22.0996 37.54 0.0026557 0.000358547 0.00424907 17
4942 110 C 17.8912 20.9197 38.4078 -0.000776783 0.0029574 -0.000331874 17
4943 111 C 18.3 21.3037 39.8732 0.00286174 -4.48748e-05 -0.00106863 17
4944 112 C 17.3088 22.2092 40.6363 0.000560645 -6.45153e-05 -0.00113977 17
4945 113 C 17.7465 22.5263 42.0914 0.00137127 0.00306679 -0.00258255 17
4946 114 C 18.2121 21.2492 42.8785 -0.00311564 0.00202331 0.00168744 17
4947 115 C 18.6671 21.5079 44.331 -0.00114646 0.00154505 -0.00244926 17
4948 116 C 17.6287 22.196 45.2511 -0.00107046 -0.00153386 0.00301436 17
4949 117 C 18.18 22.2721 46.7103 -0.00124253 0.0018525 -0.00234322 17
4950 118 C 17.3905 13.5122 34.4865 -0.00123699 0.00325678 0.00295993 17
4951 119 C 16.8904 13.4417 35.917 -0.00473505 -0.0016166 0.00105758 17
4952 120 C 17.7897 12.685 36.9077 -0.00155377 0.00291485 0.0013384 17
4953 121 C 17.1111 12.5419 38.2311 0.00135368 -0.000349514 -0.00207627 17
4954 122 C 18.1123 12.34 39.3731 0.00127642 -0.00258372 -0.00301956 17
4955 123 C 17.3679 12.0633 40.6745 -0.00258298 -0.00067943 -0.00256329 17
4956 124 C 18.1143 12.5518 41.903 -0.001482 0.00349512 0.0010672 17
4957 125 C 17.379 12.0798 43.1662 -0.00124136 -0.0014958 -0.001004 17
4958 126 C 18.0693 12.6434 44.4051 0.0021326 -0.00224617 0.00243274 17
4959 127 C 17.3737 12.1829 45.7025 0.00214648 -0.000903883 6.75267e-05 17
4960 128 C 17.9729 12.8706 46.9131 0.00332184 -0.00121411 0.00103285 17
4961 129 C 17.4603 12.1891 48.2021 -0.00270626 0.00287387 0.002911 17
4962 130 F 17.9349 14.1477 25.8015 0.000767769 0.000260409 -0.00128205 17
4963 131 H 17.7737 21.167 31.6361 -0.00849557 0.0087594 -0.0138488 17
4964 132 H 18.1997 20.8985 29.2938 -0.017743 0.00377346 -0.00406672 17
4965 133 H 17.3503 18.9355 28.11 -0.001242 0.00886622 0.000810883 17
4966 134 H 10.7089 17.0593 30.9102 0.00211739 -0.00643137 0.00685712 17
4967 135 H 11.2178 17.1076 28.5169 0.00340047 -0.0113542 -0.00481358 17
4968 136 H 13.5727 17.0069 27.6823 -0.0142136 0.0053688 -0.00290374 17
4969 137 H 17.7435 12.5925 32.1601 0.00263269 -0.00763961 -0.00475533 17
4970 138 H 18.0577 12.6063 29.7498 -0.00493459 -0.00183206 0.000946335 17
4971 139 H 17.136 14.3484 28.3487 -0.0171405 0.00105029 -0.000495032 17
4972 140 H 19.111 18.8169 23.5539 0.000112004 0.00256007 -4.8924e-05 17
4973 141 H 17.4366 18.6818 25.4534 -0.00646412 0.00461786 -0.00769944 17
4974 142 H 18.7283 12.6367 19.2042 -0.00208992 -0.00280891 -0.00252475 17
4975 143 H 19.1025 12.686 16.8132 0.0208537 -5.78103e-05 -0.00818424 17
4976 144 H 19.4387 14.4829 20.6758 0.0115852 0.00559975 -0.00188057 17
4977 145 H 25.6594 16.7462 20.0178 -0.00534219 0.014116 0.00957721 17
4978 146 H 25.7456 16.8441 17.483 -0.00137286 -0.00135802 -0.00304966 17
4979 147 H 23.4473 16.8662 21.1362 0.00011958 -0.00396335 0.000482351 17
4980 148 H 18.1891 20.8374 19.9115 -0.00105363 -0.00595749 0.00403614 17
4981 149 H 18.4385 21.0422 17.3919 -0.00156448 -0.000309244 -0.00150927 17
4982 150 H 21.0907 17.1391 16.073 -0.00107663 0.00836188 0.00441873 17
4983 151 H 19.2386 18.9305 21.0366 -0.00630643 -0.00950267 0.00245646 17
4984 152 H 15.3443 17.0667 32.9835 0.00813248 -0.00565232 0.000190124 17
4985 153 H 24.5518 18.6137 15.5155 -0.000395749 -0.0076229 0.0190063 17
4986 154 H 25.4992 17.2263 15.1037 0.00308 0.00997703 0.0030828 17
4987 155 H 24.8612 17.7628 12.9583 0.00771581 -0.00907866 0.00999404 17
4988 156 H 23.6167 18.8316 13.5269 -0.00312219 -0.00377614 0.00251607 17
4989 157 H 22.0387 16.9426 13.7056 0.000275732 -0.00789349 0.00185076 17
4990 158 H 23.2335 15.7909 13.1306 0.00119519 0.00197105 -0.00161318 17
4991 159 H 22.5928 18.313 11.514 0.00418569 0.00304707 0.00507108 17
4992 160 H 21.4956 16.8992 11.4677 -0.00186491 0.00849414 0.000984473 17
4993 161 H 23.0523 15.5165 10.3208 0.00135121 0.00472793 -0.00824926 17
4994 162 H 24.3661 16.7246 10.6843 0.00268918 0.0117993 -0.0106101 17
4995 163 H 23.4364 18.341 9.0887 -0.00805238 0.00148462 -0.0162359 17
4996 164 H 21.879 17.566 9.06802 -0.00156488 -0.00315173 -0.00724812 17
4997 165 H 22.9061 15.613 7.76849 0.0135992 -0.00889604 -0.00426521 17
4998 166 H 24.4845 16.4815 7.90788 0.000967287 -0.00763802 0.00292514 17
4999 167 H 23.7275 18.2616 6.52233 0.00610137 -0.00375216 -0.000124428 17
5000 168 H 22.08 17.769 6.57232 0.000908196 -0.00468676 -0.00631531 17
5001 169 H 22.535 15.8654 5.09427 -0.0101513 0.00578785 -0.00471864 17
5002 170 H 24.3153 15.9865 5.31743 4.98885e-06 0.00573595 -0.0103058 17
5003 171 H 24.3567 18.1333 4.15293 0.00339085 -0.00144059 -0.00196766 17
5004 172 H 22.6459 18.1189 3.98186 0.000868046 -0.00386188 0.00491006 17
5005 173 H 24.0952 15.6527 2.84575 -0.00950171 -0.00340684 0.011251 17
5006 174 H 24.3323 17.1705 1.94653 0.0129776 0.00589521 0.0133943 17
5007 175 H 21.6145 15.9414 2.50855 -0.00494054 0.00119152 -0.00880342 17
5008 176 H 22.4889 15.8451 0.989395 -0.0124846 -0.00421072 0.00015227 17
5009 177 H 21.9686 17.4528 1.61219 -0.00493034 0.000556871 0.00555847 17
5010 178 H 21.2618 14.6904 13.6483 -0.00632852 0.00188436 0.00129582 17
5011 179 H 22.1748 14.6933 15.1522 -0.0076031 0.0106457 0.00251978 17
5012 180 H 21.5578 12.4579 15.6593 0.00193179 -0.0123256 0.00168678 17
5013 181 H 20.3019 12.3288 14.4476 0.0092601 -0.00937298 6.66296e-05 17
5014 182 H 23.3151 12.5579 13.8901 0.00142755 0.00627793 -0.0138087 17
5015 183 H 22.328 11.0857 13.7262 0.00533669 -0.00123786 0.00988023 17
5016 184 H 21.1619 12.0589 11.781 0.00209537 0.000982701 0.00042337 17
5017 185 H 22.1742 13.5334 11.8356 0.014033 -0.00279864 -0.00593918 17
5018 186 H 24.1568 12.229 11.285 0.00899518 -0.00847661 0.00932084 17
5019 187 H 23.4319 10.6794 11.6999 -0.000605237 0.000406227 -0.00209037 17
5020 188 H 23.4578 10.5462 9.46667 -0.0102773 -0.000753276 -0.00457037 17
5021 189 H 21.7934 11.0413 9.80449 -0.00779193 0.00404849 0.00397456 17
5022 190 H 22.3613 13.3283 9.0023 -0.00450897 0.00166224 -0.00902474 17
5023 191 H 24.0769 12.886 8.83206 -0.000630328 0.00385972 0.00441255 17
5024 192 H 23.4566 11.0726 7.24069 -0.000833955 0.00180442 -0.000258716 17
5025 193 H 21.7814 11.5279 7.30871 0.00487717 -0.00334962 0.00394761 17
5026 194 H 22.2459 13.7998 6.37972 0.000989849 0.00263591 0.00617131 17
5027 195 H 23.9525 13.2851 6.25012 0.00198449 -0.00238897 -0.0100946 17
5028 196 H 23.1093 11.3609 4.77978 -0.00471018 -0.00533331 0.0112313 17
5029 197 H 21.5445 12.0143 4.90933 0.00168656 0.00968897 0.00107461 17
5030 198 H 22.1336 14.0911 3.71568 -0.00381595 -0.00476465 -0.00485889 17
5031 199 H 23.8377 13.5253 3.69323 -0.00394126 0.00525926 -0.00191911 17
5032 200 H 22.7282 13.1731 1.47633 0.0129135 -0.0122018 -0.00770991 17
5033 201 H 23.1232 11.6254 2.21908 -0.000424497 0.00239024 0.0156201 17
5034 202 H 21.4617 12.189 2.26993 -0.00468254 -0.00252781 -0.0104551 17
5035 203 H 18.4191 17.9141 15.1737 -0.0215264 0.00188655 0.00647863 17
5036 204 H 17.6856 19.4963 15.5442 -0.00136522 0.00417219 -0.00350242 17
5037 205 H 17.9013 19.7204 13.0939 -0.00233481 0.0104264 0.00398842 17
5038 206 H 19.4637 20.2787 13.5736 0.00235633 -0.00487419 -7.49289e-05 17
5039 207 H 20.5225 18.3443 12.8908 0.00459575 -0.0107006 -0.0117133 17
5040 208 H 19.2089 17.2769 13.2883 -0.0102108 0.00316082 0.00460607 17
5041 209 H 19.2254 17.2194 10.9289 0.000757614 0.000954665 0.00250761 17
5042 210 H 17.86 18.282 11.3108 0.00132043 -0.00542634 -0.00295627 17
5043 211 H 19.4091 20.2856 10.7743 -0.0159298 -0.00153626 -0.000461318 17
5044 212 H 20.6092 19.0771 10.3394 0.00255823 -0.00646026 0.00989654 17
5045 213 H 18.7312 18.106 8.78051 -0.00316678 -0.00316735 0.00614931 17
5046 214 H 18.0291 19.7745 8.94029 0.00259464 -2.3774e-05 -0.00290487 17
5047 215 H 20.0448 20.7228 7.9798 -0.000493714 0.0079331 -0.0113222 17
5048 216 H 20.8194 19.0742 7.90911 0.000628337 0.00604679 -0.00534538 17
5049 217 H 19.2038 18.3096 6.25236 0.0114092 -0.00126 0.00796274 17
5050 218 H 18.3502 19.8493 6.29931 0.0021227 -0.00367343 -0.0175916 17
5051 219 H 20.4623 21.0049 5.64691 -0.00802323 0.00299265 -0.00379428 17
5052 220 H 21.1498 19.4371 5.23843 -0.0044589 -0.00637985 -0.0073795 17
5053 221 H 18.578 20.6607 4.03576 0.00257812 0.00267067 0.00343232 17
5054 222 H 20.1884 20.9014 3.40251 -0.0111096 0.015841 0.0115419 17
5055 223 H 20.5201 18.3886 3.09361 -0.00447859 -0.00961383 0.00405558 17
5056 224 H 18.8261 18.1536 3.51078 0.0104228 -0.0042961 0.00293143 17
5057 225 H 18.0811 19.5437 1.56911 5.76715e-05 -0.000266763 0.00755491 17
5058 226 H 19.6781 19.9902 1.15234 -0.0078937 0.0035077 -8.15969e-05 17
5059 227 H 19.1806 18.3087 0.938799 0.0112202 -0.00742726 0.0108684 17
5060 228 H 10.7315 17.9865 33.1028 -0.000573893 0.00656079 0.00991075 17
5061 229 H 10.6384 16.1956 32.9364 0.0146162 -0.00202271 -0.000450325 17
5062 230 H 11.3343 15.8848 35.1852 0.007525 0.00184217 0.00187086 17
5063 231 H 11.6514 17.6433 35.4512 -0.0136525 0.00126827 0.00687739 17
5064 232 H 9.27526 18.1202 35.1368 0.0012722 -0.000324108 -0.0115724 17
5065 233 H 8.93889 16.3879 34.9307 -0.00382766 -0.00358166 0.0073221 17
5066 234 H 8.34871 16.9462 37.2173 0.00188844 0.00445347 -0.0137325 17
5067 235 H 9.71457 15.8433 37.2203 -0.0022586 -0.00216996 -0.000530238 17
5068 236 H 11.2742 17.6637 37.7627 -0.00204214 -0.0116275 0.00178911 17
5069 237 H 10.0693 18.8584 37.4256 -0.00427442 5.32762e-05 -0.00719007 17
5070 238 H 10.681 18.4183 39.831 -0.00258116 0.00539693 -0.00561243 17
5071 239 H 8.96022 18.4967 39.4105 0.00729154 0.0113965 0.000790313 17
5072 240 H 8.67138 16.0874 39.5898 -0.00704913 0.0134044 -0.0036935 17
5073 241 H 10.3717 15.787 39.8252 0.000524173 -0.00348216 0.0069928 17
5074 242 H 8.79951 17.4254 41.9094 0.0154493 0.0107212 0.0051055 17
5075 243 H 9.21038 15.6661 42.0641 0.00912902 -0.00530426 2.74593e-05 17
5076 244 H 11.6856 16.4863 41.6244 0.00610305 -0.00677328 0.00693123 17
5077 245 H 11.1348 18.0378 42.0694 -0.0230709 0.00581852 0.00261851 17
5078 246 H 11.1545 15.3977 43.7641 0.000463866 0.00124041 -0.0162053 17
5079 247 H 12.0479 16.9118 44.0035 0.00488496 0.0025773 -0.00642677 17
5080 248 H 10.1408 18.1372 44.7003 -0.00924481 -0.00153529 -0.00193029 17
5081 249 H 9.04256 16.7382 44.3848 0.00494465 -0.00337969 -0.00418464 17
5082 250 H 9.80763 17.131 46.8728 0.00153828 0.0087078 -0.00173794 17
5083 251 H 10.1073 15.507 46.2224 0.000921822 0.00277061 0.0078496 17
5084 252 H 11.4164 16.7142 46.4353 -0.00363132 -0.0126434 0.00394328 17
5085 253 H 18.4853 19.9589 34.0847 0.0045029 0.00581999 0.0120947 17
5086 254 H 17.4442 21.3632 33.5359 -0.00522605 -0.00772652 -0.00357091 17
5087 255 H 15.9001 21.0086 35.2903 0.00353341 0.002364 -0.0107024 17
5088 256 H 16.9849 19.7377 35.9124 0.0060273 -0.00124747 -0.00896072 17
5089 257 H 18.8191 21.8038 35.8818 -0.00523313 0.0108482 0.0122321 17
5090 258 H 17.5316 22.8273 35.5423 0.0133972 0.00385415 -0.0131072 17
5091 259 H 18.0903 22.9343 37.8793 0.0162691 -0.0146155 0.0161577 17
5092 260 H 16.4114 22.3626 37.6979 0.00200784 -0.00577271 0.0101147 17
5093 261 H 17.1191 20.1407 38.4307 0.00488386 -0.00274907 -0.00349834 17
5094 262 H 18.7666 20.4789 37.915 -0.00259074 0.00600899 -0.00630379 17
5095 263 H 18.3626 20.339 40.3918 0.0131513 0.00728645 0.0112989 17
5096 264 H 19.2854 21.7771 39.9643 0.00175337 0.000607392 0.00774511 17
5097 265 H 17.1084 23.175 40.1562 -0.015556 -0.00213294 0.00135501 17
5098 266 H 16.3387 21.7039 40.7206 -0.0106492 0.0190646 -0.0156259 17
5099 267 H 18.6055 23.2085 42.0792 0.000120886 0.00462501 -0.00323185 17
5100 268 H 16.9134 23.0241 42.6028 -0.00369295 -0.00370835 -0.00423071 17
5101 269 H 17.3838 20.5301 42.8795 -0.00684895 0.00630788 -0.00504891 17
5102 270 H 19.0366 20.7589 42.3463 -0.000598814 -0.00234402 0.00962568 17
5103 271 H 18.994 20.5617 44.7796 -0.0103172 -0.000913284 -0.000992622 17
5104 272 H 19.5979 22.0877 44.3586 -0.00563845 0.00847946 0.00311991 17
5105 273 H 17.4461 23.2134 44.8836 -0.000225103 -0.00645144 -0.0109922 17
5106 274 H 16.6685 21.6662 45.2789 -0.00809587 0.0110064 -0.000686478 17
5107 275 H 17.4274 22.7474 47.3516 0.00492043 -0.00153208 0.00738845 17
5108 276 H 18.4065 21.2709 47.0974 0.0127379 0.00851521 0.00670791 17
5109 277 H 19.0779 22.8938 46.8138 0.00438661 -0.00719443 0.00317869 17
5110 278 H 17.5335 12.4762 34.1553 0.0110979 0.00424065 0.00511927 17
5111 279 H 18.3866 13.9717 34.4834 -0.00527886 0.0120162 0.00231079 17
5112 280 H 15.9424 12.8905 35.8871 -0.0105167 0.00786303 0.0101029 17
5113 281 H 16.6795 14.4414 36.3164 -0.01723 -0.00212948 -0.00425604 17
5114 282 H 18.7534 13.199 37.0111 -0.00289376 0.00383165 0.00911382 17
5115 283 H 17.9851 11.6829 36.5064 0.013253 -0.000906202 0.0181341 17
5116 284 H 16.3029 11.8016 38.1845 -0.00146791 0.00306416 -0.0076546 17
5117 285 H 16.5438 13.4557 38.4471 -0.012501 -0.00879808 -0.00259783 17
5118 286 H 18.7319 13.2364 39.499 0.000588467 -0.00155585 -0.00696945 17
5119 287 H 18.7309 11.4788 39.0919 0.00854381 -0.00371118 0.0165651 17
5120 288 H 17.1829 10.9856 40.7625 0.00212904 -0.00199233 -0.00871533 17
5121 289 H 16.3752 12.5302 40.6802 0.0047839 0.0149334 0.000929757 17
5122 290 H 18.092 13.6485 41.8933 -0.000772012 0.00351873 0.00222983 17
5123 291 H 19.1422 12.1687 41.8992 -0.0076472 -0.0131104 0.00307879 17
5124 292 H 17.2794 10.9894 43.2329 0.00379133 -0.00166687 0.00361725 17
5125 293 H 16.3437 12.4391 43.1167 -0.0033221 -0.00612691 0.00895608 17
5126 294 H 18.1431 13.7374 44.3707 -0.0123213 -0.00124002 0.00403415 17
5127 295 H 19.0995 12.2665 44.4092 0.000424442 -0.00695175 0.000208626 17
5128 296 H 17.4899 11.0949 45.7818 0.00282311 0.000177101 0.0138044 17
5129 297 H 16.288 12.3393 45.7186 0.00244334 0.00116484 -0.000310529 17
5130 298 H 17.7447 13.9423 46.9654 0.0111709 0.0011092 -0.0128481 17
5131 299 H 19.0591 12.7174 46.8973 0.00404229 0.00368649 0.00337416 17
5132 300 H 17.7236 11.1286 48.299 -0.00295228 0.00288735 0.00374807 17
5133 301 H 16.3658 12.2237 48.2684 -0.00275632 0.00655997 9.38639e-05 17
5134 302 H 17.9087 12.6584 49.0864 -0.00423033 0.00220759 0.00403755 17
5135 1 C 21.3432 27.0445 31.5651 0.00249533 -0.0038699 0.00301833 18
5136 2 C 21.547 26.9383 30.1835 -0.000558956 0.0025046 0.0060356 18
5137 3 C 21.0054 25.8694 29.506 0.00101567 -0.0013737 0.00134968 18
5138 4 C 20.3138 24.8635 30.2519 -0.00282784 0.0019679 -0.00406878 18
5139 5 C 20.1322 24.9555 31.6534 0.000247374 0.00291529 0.000545191 18
5140 6 C 20.628 26.0768 32.3378 -0.00211945 -0.00371729 0.0020399 18
5141 7 C 15.67 23.5495 30.9926 0.00240139 -0.00321915 0.00329988 18
5142 8 C 15.8752 23.4165 29.6036 0.0063362 0.00244372 -0.000347263 18
5143 9 C 17.1703 23.5093 29.1314 0.00093765 -0.00397972 0.000535255 18
5144 10 C 18.2225 23.6408 30.0331 -0.00387669 -0.00156525 -0.00216949 18
5145 11 C 18.0516 23.683 31.4328 -0.00326624 0.000871626 0.000822535 18
5146 12 C 16.7366 23.6713 31.9223 -0.000200686 0.00154516 -0.00394434 18
5147 13 C 21.4259 20.3684 31.7698 -0.00041917 -0.000725029 0.000669083 18
5148 14 C 21.5305 20.3667 30.3786 -0.00116564 0.000142306 0.00105002 18
5149 15 C 20.9873 21.3936 29.6172 -0.000489772 0.00257352 -0.00332998 18
5150 16 C 20.2708 22.408 30.2881 0.00025154 0.000751258 -0.00471902 18
5151 17 C 19.6703 23.6473 29.5849 0.00105469 0.00147101 0.00348272 18
5152 18 O 20.5388 21.2892 33.848 -0.00262349 0.00186751 0.00419152 18
5153 19 O 16.4383 23.754 33.2652 -0.00296815 -0.0024232 -0.00295372 18
5154 20 O 20.4253 26.2284 33.7433 0.00545153 0.00127347 0.000334723 18
5155 21 C 20.7075 21.3558 32.4816 -0.00210864 -0.00209881 -0.000739661 18
5156 22 C 19.9671 23.6081 28.1613 0.000811844 -0.00232728 0.00396872 18
5157 23 C 20.3585 23.5674 27.0151 0.0013538 0.000154608 -0.00124505 18
5158 24 C 21.0411 23.4984 25.802 -0.00185714 0.00165613 -0.00131963 18
5159 25 C 20.7775 24.3993 24.73 -0.00458484 0.00372802 0.00234033 18
5160 26 C 21.645 24.3976 23.6744 -0.00238173 0.00106707 -0.000167598 18
5161 27 C 22.7439 23.5412 23.6091 0.00215688 0.00127925 0.000355108 18
5162 28 C 22.9998 22.6928 24.6713 0.000190132 -0.0020047 0.000281535 18
5163 29 C 22.0964 22.6038 25.7451 0.00195084 0.000211559 -0.003889 18
5164 30 C 23.6451 23.5824 22.5244 0.00401026 0.00181898 0.00377067 18
5165 31 C 24.232 23.663 21.4755 0.00132709 0.00135374 0.000740585 18
5166 32 C 22.6439 20.5218 18.9859 7.09943e-05 0.00285585 2.54722e-05 18
5167 33 C 22.6588 20.73 17.6073 -0.00102776 -0.000614449 -0.00101305 18
5168 34 C 23.3074 21.8556 17.0608 0.00140209 0.00139032 0.000849029 18
5169 35 C 23.9382 22.77 17.9133 0.000762085 0.00546539 -0.00202702 18
5170 36 C 23.837 22.6447 19.3018 -0.00404884 0.000138211 -0.00336614 18
5171 37 C 23.1475 21.5113 19.8402 0.00127228 0.00297066 0.00243477 18
5172 38 C 24.5919 23.7671 20.0694 2.74271e-05 0.000345785 -0.000689588 18
5173 39 C 28.4404 23.56 19.8024 -0.00100883 0.00186371 -0.000430088 18
5174 40 C 28.5699 23.6687 18.4006 0.00497335 0.00160409 0.00288422 18
5175 41 C 27.4028 23.6348 17.59 -0.00251289 0.00134374 0.00313352 18
5176 42 C 26.1692 23.6687 18.1564 0.00330397 0.00358376 -0.0035915 18
5177 43 C 26.0536 23.5915 19.5671 0.00320028 -0.00310018 -0.00202602 18
5178 44 C 27.1832 23.5023 20.4053 -0.00208473 0.00441371 0.00278951 18
5179 45 C 23.2082 27.3401 19.4246 0.00429425 -0.00317922 0.00180591 18
5180 46 C 23.4137 27.3982 18.0295 -0.0029257 0.00215796 0.000766387 18
5181 47 C 24.0401 26.3472 17.333 0.00356919 0.00190003 -0.00493178 18
5182 48 C 24.335 25.1892 18.0364 0.000744016 0.00258855 0.000702794 18
5183 49 C 24.8448 23.9066 17.4408 -0.0021456 -0.00550564 0.00311788 18
5184 50 C 24.1539 25.116 19.4291 0.000509658 -0.00379847 -0.00556833 18
5185 51 C 23.6179 26.2079 20.1737 0.00175475 0.00166808 -0.00109373 18
5186 52 O 27.5459 23.7554 16.2297 0.00210021 -1.08928e-05 -0.000228937 18
5187 53 O 23.3116 22.1057 15.7055 0.0015416 0.00422466 0.0029352 18
5188 54 O 24.2418 26.4373 15.9591 0.00147277 -0.000841502 0.000667017 18
5189 55 C 19.3873 23.6851 32.2431 -0.00297113 -0.0050599 -1.40313e-05 18
5190 56 C 20.1533 22.4339 31.7151 0.000655324 -0.00317007 -0.000840693 18
5191 57 C 27.7738 22.5949 15.3866 0.000382806 0.000279071 0.000250944 18
5192 58 C 26.6959 22.606 14.2409 -0.000139074 -0.00341263 -0.00149542 18
5193 59 C 27.3233 23.0729 12.8828 -0.0018947 0.000562204 0.00127077 18
5194 60 C 26.3027 23.1339 11.7364 0.00418804 0.000768332 0.00104371 18
5195 61 C 27.0262 23.5542 10.4114 0.00118579 -0.0018071 0.00346712 18
5196 62 C 26.1526 23.465 9.16974 -0.000301726 0.00466173 0.000668502 18
5197 63 C 26.9725 23.8054 7.91956 -0.00315362 0.00500571 0.00384519 18
5198 64 C 26.1743 23.5998 6.62309 0.00158744 -0.00395576 0.000496857 18
5199 65 C 27.1164 23.759 5.41051 8.68745e-06 0.0031115 0.000104828 18
5200 66 C 26.4828 23.4449 4.07283 -0.000773165 0.000141046 8.23043e-05 18
5201 67 C 27.2359 24.0185 2.85036 -0.00464722 -0.00295726 0.00279699 18
5202 68 C 26.7358 23.5446 1.50583 0.00156319 0.000851533 -0.00238491 18
5203 69 F 21.4584 25.2727 22.6751 -0.000240192 0.000533729 0.00429367 18
5204 70 C 23.2634 21.0929 14.7046 0.000960304 -0.0043748 0.0054441 18
5205 71 C 23.1213 21.909 13.3995 0.00288138 0.00311427 -0.000814133 18
5206 72 C 23.1394 21.0433 12.1353 0.00206305 0.00488384 -0.00274345 18
5207 73 C 22.9581 21.9101 10.8652 0.00415878 0.00239763 9.14605e-05 18
5208 74 C 23.1032 21.1123 9.57172 0.00535134 0.00256768 0.000578613 18
5209 75 C 22.8637 22.0058 8.32849 0.000291229 -0.000324555 -0.00142345 18
5210 76 C 23.2677 21.2924 7.02772 0.00164005 -0.00054603 -0.00475135 18
5211 77 C 23.037 22.1803 5.75265 -0.00214797 0.00492009 -0.00110542 18
5212 78 C 23.4129 21.3288 4.54536 -0.00159291 -0.000102214 0.00362469 18
5213 79 C 22.8176 21.9138 3.21898 -0.00231031 0.00211806 0.00211832 18
5214 80 C 22.7561 20.841 2.13697 -0.00313503 -0.00128854 -0.00627059 18
5215 81 C 24.1197 20.2436 1.85788 0.00056243 0.00300873 -0.000592627 18
5216 82 C 25.6076 26.682 15.598 0.00494925 0.000116432 0.0010471 18
5217 83 C 25.8029 26.4275 14.0901 -0.00450264 0.00439479 -0.00381973 18
5218 84 C 26.2418 27.6378 13.2421 -0.0020039 -0.0035049 0.00111416 18
5219 85 C 26.424 27.3768 11.7124 0.00325512 -0.00136736 0.00378005 18
5220 86 C 25.2709 27.9536 10.8694 0.00109732 -0.00034499 -0.00351964 18
5221 87 C 25.3991 27.6362 9.35173 0.00222807 0.00110234 0.00298652 18
5222 88 C 26.5852 28.376 8.68558 -0.00294019 -0.00495363 -0.000982014 18
5223 89 C 26.3287 28.5593 7.15478 -0.00187409 -0.000526005 -0.00360077 18
5224 90 C 26.0927 27.2588 6.36362 0.00373681 -0.00264311 -0.00121726 18
5225 91 C 25.6966 27.4968 4.8764 -0.00144809 0.00309176 -0.00345079 18
5226 92 C 26.78 28.151 4.01872 -0.00267143 -0.00356191 0.00342777 18
5227 93 C 26.3205 28.2223 2.56145 -0.00153746 -0.000578998 -0.00264998 18
5228 94 C 15.0866 23.5034 33.7254 -0.000861845 -0.00285687 -0.000123696 18
5229 95 C 14.9345 23.9263 35.1686 0.00224915 -0.00233134 0.00111289 18
5230 96 C 13.4847 23.7513 35.7234 0.00153716 0.00332863 -0.00102686 18
5231 97 C 13.3484 23.5344 37.2329 0.00277341 0.00142302 0.000407196 18
5232 98 C 14.0723 24.6195 38.048 -0.00223872 -0.00101522 0.000394646 18
5233 99 C 14.4759 24.1927 39.4673 -0.00717661 -0.00236143 -0.00218016 18
5234 100 C 13.3074 23.8831 40.3761 0.00146749 -0.00064626 0.00336153 18
5235 101 C 13.6712 23.6261 41.8553 0.000292071 -0.00130496 -0.00225327 18
5236 102 C 14.0723 24.9039 42.638 0.00242206 -0.00399152 -9.22609e-05 18
5237 103 C 14.5717 24.6061 44.0537 0.00104477 0.00114311 -0.00369036 18
5238 104 C 13.5472 23.8864 44.9267 -0.000361707 0.000260901 -0.00108314 18
5239 105 C 14.1072 23.7197 46.3359 -0.000318123 0.00220269 -0.000513636 18
5240 106 C 20.4796 27.5495 34.3201 -0.00146455 0.00511161 -0.000968272 18
5241 107 C 20.7095 27.6137 35.8374 0.000973644 -0.00371681 -0.000284854 18
5242 108 C 21.676 28.7719 36.2976 0.0025065 -0.000438779 -0.000519096 18
5243 109 C 21.6124 29.1168 37.7742 0.00445756 -0.0030274 -0.00179719 18
5244 110 C 21.7025 27.8935 38.672 0.00569827 0.00297815 -0.000717017 18
5245 111 C 22.2643 28.1186 40.1284 0.000824996 -0.00266698 0.000421382 18
5246 112 C 21.3194 28.986 41.0173 0.00140068 0.00041426 -0.00185904 18
5247 113 C 21.8308 29.2833 42.434 0.00232492 0.0027269 -0.00170417 18
5248 114 C 22.1567 28.0262 43.2447 0.00108038 0.00106396 0.000599786 18
5249 115 C 22.6211 28.248 44.7007 -0.00126715 -0.00142022 0.00314232 18
5250 116 C 21.4942 28.6682 45.658 0.00309895 -0.00173631 0.00172734 18
5251 117 C 22.0298 28.8725 47.097 -0.0032289 0.00244143 -0.00189444 18
5252 118 C 21.229 20.2735 34.6152 -0.000424864 -0.0022303 -0.00284814 18
5253 119 C 20.7754 20.2392 36.068 0.00310492 -0.0021991 0.0046812 18
5254 120 C 21.633 19.2267 36.8542 -0.00178742 -0.00491593 0.00107451 18
5255 121 C 21.1713 19.1346 38.2975 -0.000152581 -0.000847101 0.00581658 18
5256 122 C 22.2661 18.3956 39.0659 -0.00216795 0.000984867 0.000654851 18
5257 123 C 21.8914 18.0056 40.4997 -0.000556053 -0.00605462 0.00563529 18
5258 124 C 21.7431 19.2605 41.4334 0.0044041 -0.0020237 -0.00167137 18
5259 125 C 21.3705 18.8675 42.864 -0.00130941 -0.00342424 -0.00107609 18
5260 126 C 21.8569 19.7884 44.0166 -0.00274126 0.00224285 -0.00623112 18
5261 127 C 21.8778 19.004 45.3453 -4.04078e-05 -0.000178635 0.00118186 18
5262 128 C 22.5856 19.8231 46.444 -0.00604034 0.00345679 0.000744459 18
5263 129 C 22.595 19.1775 47.8324 0.00233616 0.000431665 -0.00344312 18
5264 130 F 19.7977 25.3143 24.7732 -0.000178658 -0.00149253 0.00522061 18
5265 131 H 21.8279 27.8725 32.0739 -0.00221959 -0.00610897 0.0112044 18
5266 132 H 22.0808 27.6814 29.5984 -0.0122783 0.0021445 -0.00514811 18
5267 133 H 21.1508 25.8493 28.43 0.00971452 0.0129352 0.00224322 18
5268 134 H 14.6299 23.5684 31.3043 0.00766132 0.00253177 0.0205183 18
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5270 136 H 17.2854 23.5411 28.052 -0.0143004 -0.000465381 -0.00102585 18
5271 137 H 21.8182 19.4655 32.2285 -0.00347071 0.00201269 0.00861817 18
5272 138 H 21.9557 19.4938 29.8923 -0.00176587 -0.000971602 0.0025155 18
5273 139 H 21.0845 21.385 28.5356 -0.00249822 0.0108036 -0.00358739 18
5274 140 H 23.8364 22.0021 24.6217 -0.005358 -0.00874906 0.0003865 18
5275 141 H 22.3161 21.9435 26.5788 -0.0131743 0.00113218 0.000813701 18
5276 142 H 22.0905 19.6726 19.3759 0.018651 -0.00887338 0.000740329 18
5277 143 H 22.2511 19.9825 16.9331 -0.00116202 0.00101767 -0.00274449 18
5278 144 H 23.0973 21.3651 20.9151 0.0097416 -0.00231884 0.00211723 18
5279 145 H 29.3202 23.6798 20.4277 -0.00498363 -0.00420729 0.00630325 18
5280 146 H 29.5612 23.7265 17.9609 0.00616964 -0.0110178 0.00387743 18
5281 147 H 27.1113 23.4912 21.4889 -0.0105171 -0.00952595 0.00207901 18
5282 148 H 22.6727 28.1208 19.9567 -0.00976161 -0.00115613 -0.0153273 18
5283 149 H 23.044 28.2506 17.4674 -0.00582108 0.00176221 0.00206858 18
5284 150 H 24.993 23.9599 16.3551 0.0222046 -0.013309 0.00602104 18
5285 151 H 23.5142 26.1857 21.2545 -0.00623857 0.00425965 -0.0018138 18
5286 152 H 19.2988 23.7444 33.3349 0.0110236 -0.00241108 0.000994 18
5287 153 H 28.7922 22.5851 14.9789 -0.00397368 0.00527108 -0.010733 18
5288 154 H 27.7244 21.6963 16.0139 0.00493663 0.00889509 0.0129795 18
5289 155 H 25.802 23.191 14.4902 0.000956382 -0.00702503 0.0108805 18
5290 156 H 26.4245 21.5559 14.0762 0.012192 -0.00697245 0.000664306 18
5291 157 H 28.1162 22.3466 12.6656 0.00270495 0.0068621 -0.00293698 18
5292 158 H 27.8123 24.0385 13.0618 -0.0164881 0.00687864 0.00698546 18
5293 159 H 25.5376 23.8963 11.9277 -0.00565901 -0.00881589 -0.000193907 18
5294 160 H 25.8034 22.1626 11.6326 0.0142259 -0.00264121 -0.0152894 18
5295 161 H 27.8786 22.8933 10.2116 -0.00146328 -0.00144958 -0.00912333 18
5296 162 H 27.3567 24.5964 10.5011 0.00371448 -0.00252889 0.00248556 18
5297 163 H 25.2718 24.114 9.24914 0.00127191 0.0059655 0.00742315 18
5298 164 H 25.8018 22.4288 9.08818 0.00937721 0.00160835 -0.00221581 18
5299 165 H 27.8078 23.0943 7.92579 -0.0152361 -0.00932315 -0.00645543 18
5300 166 H 27.3081 24.8404 8.0593 0.011173 0.00159312 -0.00560631 18
5301 167 H 25.3346 24.3038 6.57162 0.014704 0.0112825 -0.00459331 18
5302 168 H 25.7207 22.6012 6.64494 -0.00240849 -0.00197241 0.00869464 18
5303 169 H 28.0543 23.202 5.52588 -0.0102864 -0.0135107 0.00310401 18
5304 170 H 27.4871 24.7907 5.45127 0.00212576 0.00267274 -0.00845622 18
5305 171 H 25.4606 23.8405 4.0276 0.00027666 0.00205353 -0.00708889 18
5306 172 H 26.4218 22.3498 4.05323 -0.00250345 0.000427586 -0.00957218 18
5307 173 H 28.3036 23.7672 2.86808 -0.00253374 0.00565334 -0.00194324 18
5308 174 H 27.1848 25.1124 2.91413 -0.00409248 -0.00314407 0.00651012 18
5309 175 H 25.6587 23.7475 1.4616 0.0024423 0.00402956 -0.0090161 18
5310 176 H 26.9044 22.4641 1.4189 -0.00540746 -0.000822369 0.00491529 18
5311 177 H 27.266 24.0235 0.673364 0.00573396 -0.0169054 -0.00997571 18
5312 178 H 24.2079 20.5364 14.743 0.00294901 -0.00246186 -0.0162858 18
5313 179 H 22.419 20.4027 14.8228 0.000406514 -0.00387048 0.00443303 18
5314 180 H 22.1798 22.4695 13.4517 0.00132075 0.0020533 -0.0178355 18
5315 181 H 23.9476 22.6281 13.3399 0.00678522 -0.00121743 0.000950078 18
5316 182 H 24.1079 20.5292 12.1003 -0.00466843 -0.00802297 0.00103886 18
5317 183 H 22.3085 20.3296 12.1953 -0.0021569 0.0110651 0.0124508 18
5318 184 H 21.9608 22.3667 10.8791 0.00169306 -0.00267907 -0.0103116 18
5319 185 H 23.6602 22.7524 10.8953 0.00445443 0.00192722 0.00665724 18
5320 186 H 24.1159 20.6934 9.52284 0.00372427 6.48457e-05 -0.0117286 18
5321 187 H 22.4479 20.233 9.59921 0.00892736 -5.76619e-05 0.00220312 18
5322 188 H 21.8103 22.302 8.25074 0.00273793 0.00976041 0.00394899 18
5323 189 H 23.4757 22.9159 8.34968 0.00596505 -0.00438545 0.00840043 18
5324 190 H 24.3084 20.9494 7.0792 0.000961656 -0.00134017 0.0036391 18
5325 191 H 22.6562 20.3848 6.95194 0.00904412 -0.00548764 -0.00527195 18
5326 192 H 22.0232 22.5832 5.63735 0.00235556 0.0159727 -0.0022456 18
5327 193 H 23.7023 23.0509 5.80729 0.00891199 -0.00365991 0.00120463 18
5328 194 H 24.495 21.1997 4.41962 -0.00352547 -0.000754003 -0.0126277 18
5329 195 H 23.0433 20.3076 4.70013 -0.0129732 0.00471095 0.0081736 18
5330 196 H 21.7906 22.2582 3.39236 -0.00764016 -0.0206402 0.0160129 18
5331 197 H 23.4356 22.7666 2.9121 -0.00676904 0.00336814 -0.00335223 18
5332 198 H 22.0875 20.026 2.44046 -0.00143602 0.0056192 0.0160387 18
5333 199 H 22.3404 21.3065 1.23478 0.0071066 0.00194413 -0.00932031 18
5334 200 H 24.5397 19.673 2.6954 -0.00441928 4.93993e-05 -0.000112781 18
5335 201 H 24.0241 19.5996 0.974903 0.0122088 -0.00326689 0.00274442 18
5336 202 H 24.8021 21.065 1.60696 -0.00345476 0.00600359 -0.00173299 18
5337 203 H 25.9025 27.7031 15.8697 -0.000796217 -0.00107738 0.0117707 18
5338 204 H 26.2723 26.0252 16.1725 0.0153666 0.0125672 0.00328605 18
5339 205 H 26.5082 25.5977 13.958 -0.00588323 0.00436019 -0.0109418 18
5340 206 H 24.8222 26.1031 13.7208 -0.000333991 -0.00328114 -0.00811322 18
5341 207 H 25.4814 28.4213 13.3492 -0.00124404 -0.0029842 0.00269937 18
5342 208 H 27.1351 28.1203 13.6575 0.00110772 0.00536708 -0.0158538 18
5343 209 H 27.3934 27.7629 11.3737 0.0032898 0.00639439 0.0127098 18
5344 210 H 26.3861 26.2857 11.6049 0.00591515 0.000570182 -0.0164238 18
5345 211 H 24.3026 27.5175 11.1443 0.00731172 -0.00629457 0.00879664 18
5346 212 H 25.21 29.0459 10.9511 -0.0153246 -0.0018977 0.00471125 18
5347 213 H 25.5273 26.5483 9.29343 0.00781685 0.00203798 -0.00193865 18
5348 214 H 24.4504 27.812 8.82981 -0.00277203 0.0016886 0.0122734 18
5349 215 H 26.6459 29.3792 9.1251 -0.00207065 -0.00717409 0.00396526 18
5350 216 H 27.5346 27.8652 8.88841 0.000932812 0.00161872 -0.00254817 18
5351 217 H 25.5162 29.2618 6.93178 0.00412031 0.00305937 -0.0142599 18
5352 218 H 27.2129 29.0389 6.71724 0.00636843 -0.00629628 0.00674165 18
5353 219 H 27.0025 26.6462 6.38682 0.00751486 0.00301472 -0.000277956 18
5354 220 H 25.3455 26.6431 6.87955 0.00945823 0.0013594 0.0118811 18
5355 221 H 25.4291 26.517 4.46189 -0.00279795 0.00395148 -0.00460939 18
5356 222 H 24.7702 28.0838 4.90098 0.0017276 0.00803527 -0.0019152 18
5357 223 H 27.0026 29.15 4.4135 -0.0090067 -0.00216425 0.0034637 18
5358 224 H 27.6995 27.554 4.05818 0.00282164 0.00456707 -0.00159468 18
5359 225 H 26.916 28.944 1.98886 -0.00285427 0.0102607 0.00965574 18
5360 226 H 26.3814 27.2758 2.01027 0.0142419 0.00308179 -0.00722387 18
5361 227 H 25.2881 28.5897 2.51068 0.00111649 0.00709142 -0.00120238 18
5362 228 H 14.3524 24.0886 33.1581 0.0010299 0.00678723 0.00737805 18
5363 229 H 14.8507 22.4328 33.6875 0.00324783 -0.00433188 0.0153302 18
5364 230 H 15.6152 23.3347 35.7933 -0.00703464 -0.0140493 0.000100101 18
5365 231 H 15.2841 24.9616 35.2645 0.006472 -0.00570803 0.0222349 18
5366 232 H 12.832 24.5755 35.4103 -0.000176576 -0.000549084 -0.00768642 18
5367 233 H 13.0329 22.901 35.1977 -0.00593144 0.0086206 -0.00316446 18
5368 234 H 12.2839 23.4993 37.4959 0.00327781 -0.000654311 0.00217039 18
5369 235 H 13.7722 22.5635 37.5178 0.00449416 -0.00141168 -0.0118143 18
5370 236 H 14.9784 24.9161 37.5053 -0.00115049 -0.0026423 0.00132324 18
5371 237 H 13.4102 25.4936 38.0807 -0.00540035 -0.00343292 0.00103463 18
5372 238 H 15.1056 23.296 39.415 -0.00722628 -0.0024698 -0.000948719 18
5373 239 H 15.1399 24.908 39.968 -0.00511341 -0.00152354 -0.00612485 18
5374 240 H 12.6006 24.71 40.2349 0.00427877 0.00112042 -0.000452282 18
5375 241 H 12.8248 22.9651 40.0187 0.00316354 -0.00266786 0.00625992 18
5376 242 H 12.7886 23.1474 42.2971 0.0122917 -0.0173108 0.00436985 18
5377 243 H 14.5068 22.9197 41.9342 0.00209928 1.38508e-05 -0.00966591 18
5378 244 H 14.8114 25.4774 42.0651 -0.000533073 0.00188886 0.00197506 18
5379 245 H 13.192 25.5562 42.694 -0.00205973 -0.00932797 -0.00824271 18
5380 246 H 15.4866 24.0073 43.9662 -0.00697121 -0.0112621 -0.00250527 18
5381 247 H 14.8374 25.5853 44.471 0.0098505 -0.000154577 -0.00624569 18
5382 248 H 12.6506 24.5092 45.034 0.00512574 0.00795836 0.000233931 18
5383 249 H 13.3044 22.88 44.5641 -0.0123504 -0.000460825 0.00893933 18
5384 250 H 14.3634 24.7003 46.7557 -0.00772498 0.0072981 -0.00787641 18
5385 251 H 13.3527 23.2569 46.9839 -0.00325342 0.014388 0.00476771 18
5386 252 H 14.9725 23.0456 46.3531 3.54887e-05 0.00244966 -0.00884745 18
5387 253 H 21.2871 28.1131 33.8368 0.010007 -0.00337548 0.00837583 18
5388 254 H 19.5687 28.0481 33.9665 -0.00153232 0.00454303 -0.00160228 18
5389 255 H 19.7297 27.6697 36.3275 -0.000577568 -0.000669265 -0.00373857 18
5390 256 H 21.1409 26.649 36.132 -0.00278813 -0.0043905 0.00301076 18
5391 257 H 22.6814 28.5297 35.9315 0.00154099 -0.016619 0.00755145 18
5392 258 H 21.4434 29.6849 35.7358 0.00236285 0.00234563 0.00407563 18
5393 259 H 22.4827 29.7672 37.9257 -0.00436304 0.00868031 -0.00144776 18
5394 260 H 20.686 29.6795 37.9432 0.00731825 -0.00188409 0.00995853 18
5395 261 H 20.7574 27.3428 38.7551 0.00321394 0.00566698 -0.0114576 18
5396 262 H 22.4503 27.2137 38.2453 0.00464459 0.00851693 -0.0113226 18
5397 263 H 22.321 27.1273 40.5946 -0.00555565 -0.000661169 0.00549737 18
5398 264 H 23.2562 28.5797 40.0451 -0.00168037 0.00318492 0.00300582 18
5399 265 H 21.0749 29.9397 40.5333 0.0036161 0.00206205 0.000269402 18
5400 266 H 20.3804 28.4248 41.0991 0.00570118 -0.0060406 0.00330201 18
5401 267 H 22.7152 29.9178 42.2973 0.00834382 -0.00604361 -0.00346456 18
5402 268 H 21.0916 29.8632 43.0003 -0.00606756 -0.00352075 -0.00626821 18
5403 269 H 21.2937 27.3493 43.2658 0.00385891 -0.00245835 0.00171835 18
5404 270 H 22.9233 27.4101 42.7589 0.0054592 0.00961987 -0.00329898 18
5405 271 H 23.006 27.2815 45.0487 -0.00457175 -0.00569178 -0.00501902 18
5406 272 H 23.4234 28.9961 44.7114 -0.0103455 0.00824628 0.00844218 18
5407 273 H 20.9598 29.5726 45.3419 0.000423352 -0.0087032 -0.0136459 18
5408 274 H 20.7613 27.8522 45.6738 -0.00930049 0.00952157 0.00703418 18
5409 275 H 22.3073 27.916 47.557 -0.0142659 -0.00207826 -0.00461588 18
5410 276 H 22.9112 29.5255 47.1056 0.00597122 -0.00994597 -0.00297183 18
5411 277 H 21.2402 29.2758 47.743 0.00223607 -0.001691 0.00737784 18
5412 278 H 21.0532 19.2765 34.1927 -0.00246745 0.00220375 -0.0124502 18
5413 279 H 22.3093 20.4506 34.5451 -0.000468881 0.000805245 0.0042197 18
5414 280 H 19.7315 19.9049 36.1115 -0.00254627 0.0147484 -0.00107934 18
5415 281 H 20.8868 21.207 36.5723 -0.0125473 0.000210097 0.00345501 18
5416 282 H 22.6599 19.6113 36.8851 -0.00165895 -0.0059422 0.00992794 18
5417 283 H 21.6583 18.2353 36.3852 -0.0085137 -0.00290168 -0.0035393 18
5418 284 H 20.2557 18.531 38.3258 -0.00237344 0.00272488 0.010081 18
5419 285 H 20.9146 20.1024 38.7456 0.00061923 0.00835388 -0.0136368 18
5420 286 H 23.1937 18.978 39.0047 -0.00390632 0.00390598 0.00214504 18
5421 287 H 22.4548 17.4664 38.5142 0.0110681 0.0113746 -0.0123125 18
5422 288 H 22.6701 17.3437 40.8982 0.00511675 0.0032599 0.0100348 18
5423 289 H 20.9453 17.4505 40.5132 0.000488046 -0.0080291 -0.00374623 18
5424 290 H 20.9956 19.9459 41.0152 0.00251329 0.00731779 0.0170869 18
5425 291 H 22.729 19.7415 41.4398 0.00308036 0.000650292 0.00043007 18
5426 292 H 21.7355 17.8418 42.9991 -0.00379308 -0.00353427 0.0047331 18
5427 293 H 20.2754 18.8329 42.9182 -0.00124229 -0.000367828 0.00219121 18
5428 294 H 21.2316 20.686 44.0987 -0.00184347 0.00211619 0.0019593 18
5429 295 H 22.8562 20.0903 43.6796 -0.00527886 0.00457701 -0.01171 18
5430 296 H 22.41 18.0479 45.267 -0.00298425 -0.00145928 -0.00309805 18
5431 297 H 20.8501 18.787 45.6617 -0.00014626 0.00692603 0.0057238 18
5432 298 H 22.0771 20.7899 46.5443 0.00257238 0.00830496 -0.00244715 18
5433 299 H 23.623 19.9679 46.1178 -0.00753383 0.00967714 -0.00122526 18
5434 300 H 23.0144 18.1638 47.8304 -0.0104199 -0.00484392 -0.00835087 18
5435 301 H 21.5757 19.1674 48.2376 0.00306209 0.0174295 -0.00111918 18
5436 302 H 23.1357 19.8302 48.5288 0.00649658 -0.0117854 0.00474885 18
5437 1 C 25.2256 20.5148 30.9041 -0.00226505 -0.00192241 0.000725591 19
5438 2 C 25.3536 20.4783 29.4981 -0.00311333 0.000937823 -0.00077233 19
5439 3 C 24.7954 19.4074 28.8116 -0.000133272 0.000976512 -0.00133308 19
5440 4 C 24.2095 18.3316 29.5269 0.00106819 -0.00181156 -0.00224354 19
5441 5 C 24.1117 18.3619 30.9305 -0.00226731 -0.00218779 -0.00110893 19
5442 6 C 24.6312 19.4851 31.6303 0.00211748 0.00378015 -0.000346041 19
5443 7 C 19.6671 16.89 30.4706 0.00297264 -0.00267012 -0.000564428 19
5444 8 C 19.8205 16.8459 29.079 -0.00237737 -0.00795833 0.00708847 19
5445 9 C 21.0579 16.9 28.5176 0.00133017 0.00262294 -0.00110988 19
5446 10 C 22.1863 16.9907 29.3456 0.00199941 -0.00469489 -0.00389241 19
5447 11 C 22.06 17.0684 30.7507 -0.000825928 0.00134959 0.000917417 19
5448 12 C 20.7637 17.0065 31.3344 0.000942553 -0.00173869 0.000652348 19
5449 13 C 25.2328 13.7173 30.9635 -0.00315308 -0.000738239 0.000124502 19
5450 14 C 25.3543 13.7324 29.5601 -0.00327158 -0.00100858 -0.00264665 19
5451 15 C 24.8717 14.8077 28.8615 -0.00082244 -0.00183567 0.00609284 19
5452 16 C 24.3432 15.8984 29.5393 -0.00248175 -0.000301365 -0.00260841 19
5453 17 C 23.6428 17.1067 28.8487 -0.00518589 0.00250177 0.00111743 19
5454 18 O 24.5793 14.6589 33.0913 0.0012221 0.00117357 0.000103257 19
5455 19 O 20.5642 17.1494 32.7086 -0.00440974 0.00241977 -0.000985598 19
5456 20 O 24.5331 19.6321 33.0259 0.000997752 -0.00193634 -0.000957675 19
5457 21 C 24.6223 14.7203 31.7107 -0.00187014 -0.00373867 -0.00133154 19
5458 22 C 23.8964 17.1388 27.4262 -9.71207e-05 0.000844161 -0.000949267 19
5459 23 C 24.4275 17.1535 26.3229 -0.00151006 -0.00349149 6.80235e-05 19
5460 24 C 25.2167 17.2195 25.1236 -0.00219975 -0.00149931 0.000405876 19
5461 25 C 25.9622 18.4059 24.8535 -0.000539865 -0.00109285 0.00457642 19
5462 26 C 26.9554 18.4227 23.8579 0.00113882 -0.00179743 -0.00386726 19
5463 27 C 27.2591 17.2515 23.1336 -0.000474536 -0.000683274 -0.0034318 19
5464 28 C 26.5277 16.07 23.4176 -0.000352335 -0.000671604 0.00419782 19
5465 29 C 25.494 16.0433 24.3591 0.00378391 -5.9291e-05 0.000991117 19
5466 30 C 28.0513 17.2894 21.9216 -0.00172315 0.00346206 -0.00175537 19
5467 31 C 28.4677 17.3193 20.778 -0.000497958 -0.00142059 0.000638096 19
5468 32 C 27.595 13.5984 18.8311 -0.000557648 0.00456142 -0.000108837 19
5469 33 C 27.9711 13.433 17.4794 0.00227536 0.00281985 0.00448122 19
5470 34 C 28.3528 14.554 16.7204 -0.000426224 -0.00194896 0.00294424 19
5471 35 C 28.3308 15.8142 17.338 -0.00251835 0.00150194 -0.0028782 19
5472 36 C 28.1438 15.9056 18.7497 -0.00138065 0.00052223 0.00391636 19
5473 37 C 27.73 14.8201 19.4938 -0.000670907 0.000389201 -0.00163248 19
5474 38 C 28.6754 17.238 19.3337 0.000687688 0.00449373 0.00207778 19
5475 39 C 32.5179 17.2089 18.8234 0.00109789 -0.00150746 0.000313348 19
5476 40 C 32.5929 17.2022 17.4181 -0.005258 0.00326585 0.00356312 19
5477 41 C 31.3872 17.2231 16.6826 -0.0042095 0.00550816 0.00517376 19
5478 42 C 30.1827 17.2786 17.3229 0.000873903 0.00127817 0.00119064 19
5479 43 C 30.0994 17.2912 18.7525 -0.00318213 -0.00291856 -0.00120894 19
5480 44 C 31.2857 17.2916 19.4928 0.000384707 0.00112753 -0.00258173 19
5481 45 C 26.2869 20.0991 18.3926 -0.000234782 -0.00384487 0.00288708 19
5482 46 C 26.3082 19.9948 17.0005 -0.00329946 -0.00229191 0.000880554 19
5483 47 C 27.141 19.0912 16.3395 -0.00173798 -0.000262128 -0.00521956 19
5484 48 C 27.9409 18.2098 17.1172 -0.00315259 0.00092493 -0.000694828 19
5485 49 C 28.8294 17.0725 16.6573 0.00189814 7.60027e-06 -0.00210666 19
5486 50 C 27.8833 18.2656 18.5589 -0.00157528 -0.000495511 0.000478807 19
5487 51 C 27.0649 19.2357 19.1893 0.000533233 -0.00177196 0.00364414 19
5488 52 O 31.3717 17.3593 15.3011 -0.000482734 0.000727539 0.00482879 19
5489 53 O 28.6637 14.3807 15.3598 0.00117289 -0.000329441 0.00306119 19
5490 54 O 27.0879 19.2736 14.9703 -0.000368103 0.000671782 0.00216556 19
5491 55 C 23.3978 17.1126 31.4947 -0.00293875 -0.00174969 -0.000276362 19
5492 56 C 24.197 15.8567 30.9573 0.00272416 0.000706957 -0.000689377 19
5493 57 C 31.4807 16.3109 14.3486 -0.00450847 0.000702319 0.00384751 19
5494 58 C 30.6137 16.8083 13.1745 -0.00276015 0.00119542 -0.00195703 19
5495 59 C 31.1358 16.3205 11.8241 -0.000653993 -0.000414309 0.00148134 19
5496 60 C 30.3106 16.7643 10.5713 0.00314319 0.00107425 6.53078e-05 19
5497 61 C 30.8747 16.2978 9.20932 0.00288049 0.00557916 0.00292887 19
5498 62 C 30.0917 16.8271 8.02703 0.00117589 -0.00248473 -0.00415243 19
5499 63 C 30.503 16.2389 6.67341 0.00205917 -0.000610853 -0.000322095 19
5500 64 C 31.8277 16.7826 6.1121 -0.00104644 0.000228508 -0.00382403 19
5501 65 C 32.1134 16.2099 4.70578 0.00383145 0.00278534 0.00544953 19
5502 66 C 31.2013 16.8265 3.60132 0.00493277 0.003971 0.00102692 19
5503 67 C 31.7566 16.3973 2.23087 -0.0022448 0.00232668 -0.00343179 19
5504 68 C 30.6919 16.5458 1.19359 0.00367385 -0.00302782 0.00134933 19
5505 69 F 27.6023 19.5672 23.5456 -0.00491895 0.000269556 0.0032129 19
5506 70 C 28.9446 13.0782 14.7944 0.00237986 0.000163532 -0.000521445 19
5507 71 C 29.3729 13.3424 13.3325 0.00479535 -0.0026139 0.00277458 19
5508 72 C 29.4376 12.1209 12.4104 0.00469588 -0.00476334 -0.000730387 19
5509 73 C 29.4931 12.5642 10.9047 0.00230862 0.000132555 -8.25178e-05 19
5510 74 C 30.0879 11.5492 9.98826 -0.00232334 -0.00484426 -0.00343244 19
5511 75 C 30.2955 12.0992 8.54736 0.000465484 0.000868417 -0.00141375 19
5512 76 C 30.7453 10.9814 7.59724 0.00118029 -0.000749044 -0.00112617 19
5513 77 C 31.2536 11.4225 6.17921 -0.00271224 0.00346592 0.00180662 19
5514 78 C 30.0768 12.0159 5.39921 0.000537844 -0.00578679 0.00277596 19
5515 79 C 30.1522 11.7716 3.88364 -0.00175868 -0.00158802 0.000235219 19
5516 80 C 30.8427 12.9136 3.07581 -0.00149167 0.00420588 4.70325e-05 19
5517 81 C 30.6806 12.7584 1.54087 0.00246073 -0.000507421 -0.0018362 19
5518 82 C 27.6801 18.5652 13.8919 -0.000939247 -0.00225236 0.00250237 19
5519 83 C 27.1354 19.227 12.6365 0.000281245 -0.000233841 0.00118129 19
5520 84 C 27.1895 18.4839 11.2845 -0.00225635 0.00504243 0.0039654 19
5521 85 C 26.2507 19.1683 10.2257 -0.00166774 -0.000587924 0.00153249 19
5522 86 C 26.4141 18.7372 8.70635 -0.00346412 0.000724108 -0.00204619 19
5523 87 C 27.5359 19.4703 7.9922 0.00270067 -0.00308926 0.00158953 19
5524 88 C 27.833 19.0209 6.53002 0.000926926 -0.00105573 -0.00454781 19
5525 89 C 26.7834 19.5839 5.5025 -0.000217637 -0.00096516 0.000240606 19
5526 90 C 27.4002 19.8711 4.11596 -8.53936e-05 0.00291282 -0.00105961 19
5527 91 C 28.1063 18.6904 3.42556 -0.000867859 -0.00190974 0.00197299 19
5528 92 C 27.3294 18.024 2.31099 0.00224409 0.000105274 -0.000587148 19
5529 93 C 27.1445 18.8925 1.05628 -0.000564525 0.00127299 0.00339525 19
5530 94 C 19.2687 16.862 33.3056 -1.67327e-05 0.00381892 -0.00162482 19
5531 95 C 19.2539 17.2047 34.7749 0.000108664 -0.00129678 -0.00274665 19
5532 96 C 17.882 16.9788 35.4311 -0.00347643 -0.00174248 -0.00323387 19
5533 97 C 17.7574 17.2857 36.9594 -0.00152437 -0.00311024 0.00200018 19
5534 98 C 18.5728 16.308 37.8548 0.00631236 0.00258224 0.00147129 19
5535 99 C 18.3028 16.1493 39.3768 0.00228702 -0.00625449 0.00189352 19
5536 100 C 17.9961 17.4428 40.1034 -4.92509e-05 -0.00292376 0.000514173 19
5537 101 C 18.3805 17.5451 41.6023 -0.00220117 -0.001974 0.0075906 19
5538 102 C 17.3772 16.9716 42.6262 0.00132523 -0.00167799 4.00914e-05 19
5539 103 C 17.8749 17.4542 44.0256 0.000358054 0.00176292 0.00205888 19
5540 104 C 17.0866 16.9396 45.2017 -0.000301779 -0.0016111 -0.000792751 19
5541 105 C 17.4874 17.5999 46.5337 -0.000898424 0.00182256 -0.00124145 19
5542 106 C 25.2824 20.6869 33.6411 0.0044395 0.00044993 -0.00326747 19
5543 107 C 25.2137 20.6339 35.1931 -0.00247853 1.9919e-05 -0.000401733 19
5544 108 C 25.7758 21.9246 35.8017 -0.00102361 -0.00332612 0.000149019 19
5545 109 C 25.9755 21.8234 37.335 -0.00107891 0.00600216 0.000262137 19
5546 110 C 24.7791 21.2054 38.0553 -0.001828 -0.00503095 -0.00012355 19
5547 111 C 24.5771 21.8495 39.4306 0.00085062 0.00220085 -0.00230021 19
5548 112 C 25.5476 21.4696 40.5809 0.00386728 0.00317314 0.00223999 19
5549 113 C 24.954 22.0715 41.8659 2.93578e-05 0.000356879 0.0060243 19
5550 114 C 25.7887 21.6397 43.0601 -0.00246675 0.000874318 0.0016003 19
5551 115 C 25.1424 22.0922 44.393 0.00144262 0.00635679 -0.0017529 19
5552 116 C 25.913 21.6258 45.5763 -0.000762392 0.00534068 -0.00147835 19
5553 117 C 25.3074 22.1293 46.8976 0.00399267 0.00227945 0.00422842 19
5554 118 C 24.8369 13.4546 33.826 0.000423752 0.000417982 -0.000214304 19
5555 119 C 25.1302 13.8156 35.2832 0.00219519 0.00183175 0.00273022 19
5556 120 C 25.3075 12.6238 36.236 0.00140906 -0.000532923 0.00233411 19
5557 121 C 25.7499 13.1499 37.6297 0.00314975 -0.000449226 -0.00079111 19
5558 122 C 25.725 12.0867 38.7526 0.00113734 0.00756425 -0.00043093 19
5559 123 C 26.1762 12.7196 40.0907 -0.000989613 0.00218068 -0.00176145 19
5560 124 C 25.5676 12.0937 41.3465 -0.000444934 0.00220157 0.00448846 19
5561 125 C 25.8487 12.85 42.6283 -0.00146784 -0.00130219 -0.00294789 19
5562 126 C 25.193 12.1934 43.8313 0.00532882 0.000989316 0.0047872 19
5563 127 C 25.7964 12.7005 45.1474 -0.00125325 0.00421959 -0.0016428 19
5564 128 C 25.1643 12.0932 46.4179 0.00250402 -0.000439326 0.000754385 19
5565 129 C 26.0764 12.3161 47.6332 -0.00082963 0.00102387 -5.84924e-06 19
5566 130 F 25.6593 19.5739 25.5053 0.00104073 -0.000764289 0.000116913 19
5567 131 H 25.6906 21.3713 31.3833 -0.000437541 -0.00417501 0.00298016 19
5568 132 H 25.9334 21.2538 29.0064 -0.00795237 0.00743001 0.0037558 19
5569 133 H 24.8698 19.4375 27.7286 0.0039908 -0.00508963 -0.00121497 19
5570 134 H 18.6414 16.8819 30.8273 0.000613469 0.0143645 -0.00689801 19
5571 135 H 18.9426 16.7823 28.4427 0.00172064 0.009341 -0.000300719 19
5572 136 H 21.1817 16.7729 27.4462 0.000282069 0.00317366 -0.00129435 19
5573 137 H 25.5858 12.8389 31.4957 7.54512e-05 0.00439126 0.00646469 19
5574 138 H 25.8173 12.9011 29.0367 -0.000779024 -0.00775956 0.010264 19
5575 139 H 24.8471 14.8484 27.7765 0.00068262 0.0127518 0.00656016 19
5576 140 H 26.6755 15.1815 22.8109 0.00725799 -0.00611012 0.0140345 19
5577 141 H 24.9622 15.109 24.5132 0.00558652 0.00117733 0.0146275 19
5578 142 H 27.3813 12.7237 19.4383 0.0107616 0.00111928 -0.00106408 19
5579 143 H 28.0081 12.432 17.0598 -0.0152136 0.00279101 0.00301571 19
5580 144 H 27.6139 14.8473 20.5733 0.00337462 0.0123757 -0.0015079 19
5581 145 H 33.4384 17.1164 19.3923 -0.0019928 0.00108693 0.00572173 19
5582 146 H 33.5625 17.1364 16.9334 -0.00236308 -0.0171247 0.0121156 19
5583 147 H 31.2337 17.3243 20.5771 -0.0154531 0.0140386 -0.00370649 19
5584 148 H 25.6551 20.7898 18.9432 0.00482564 -0.00659957 0.0122078 19
5585 149 H 25.6935 20.7033 16.4532 0.00303582 -0.00411476 -0.00856467 19
5586 150 H 28.8512 16.9403 15.5685 -0.0068354 -0.00889136 -0.0012106 19
5587 151 H 26.9885 19.2489 20.2725 0.00128789 -0.0075944 0.00378337 19
5588 152 H 23.346 17.1843 32.5881 0.00545341 0.00149895 -7.40381e-05 19
5589 153 H 32.5212 16.2386 14.0086 -0.00792338 -0.00318796 -0.00578909 19
5590 154 H 31.0732 15.3882 14.7798 0.00373825 -0.00580062 -0.00232931 19
5591 155 H 30.6306 17.9051 13.1753 -0.00451923 0.00122264 -0.00128639 19
5592 156 H 29.5664 16.5139 13.316 0.000910925 -0.00715574 0.00779121 19
5593 157 H 31.2834 15.2342 11.8637 -0.0213134 -0.00312934 0.00253841 19
5594 158 H 32.1759 16.6683 11.7995 -0.00207698 0.00447847 0.00995507 19
5595 159 H 30.309 17.8612 10.5638 0.0106512 0.00111745 0.00336202 19
5596 160 H 29.2833 16.3877 10.6501 0.00453962 -0.00392991 -0.00554755 19
5597 161 H 30.8611 15.2009 9.21282 0.0190941 0.00537202 0.00276216 19
5598 162 H 31.8979 16.6811 9.11159 0.00723066 -0.00908156 -0.00879683 19
5599 163 H 30.171 17.9184 7.94861 0.00812222 -0.00170822 0.0139832 19
5600 164 H 29.0245 16.6185 8.17183 0.00279549 -0.00784041 3.76914e-05 19
5601 165 H 29.7071 16.4863 5.96018 0.0035783 0.0054965 9.80276e-05 19
5602 166 H 30.5776 15.1481 6.76249 0.0206605 0.000245029 -0.00526867 19
5603 167 H 32.6345 16.5169 6.80625 -0.00218644 -0.00563951 -0.00473659 19
5604 168 H 31.7596 17.8744 6.03 0.015389 0.00195602 0.00574715 19
5605 169 H 31.9027 15.1333 4.70835 -0.019773 0.00736346 -0.00300176 19
5606 170 H 33.1562 16.4099 4.42989 0.00422154 0.00979527 0.011988 19
5607 171 H 31.1821 17.9207 3.67645 0.00297279 0.00456126 -0.00812178 19
5608 172 H 30.1737 16.4608 3.71881 0.0106757 -0.0143867 -0.00582782 19
5609 173 H 32.0961 15.3546 2.26111 0.00329727 0.00465946 0.0150847 19
5610 174 H 32.6509 16.9601 1.9361 -0.00605203 0.00683339 -0.00635892 19
5611 175 H 31.0831 16.4025 0.178764 -0.00633008 -0.014325 -0.000930157 19
5612 176 H 30.231 17.5409 1.22114 0.0155987 0.00250299 0.000979394 19
5613 177 H 29.9103 15.785 1.31132 0.00485949 -0.00399263 0.00296963 19
5614 178 H 29.7523 12.5496 15.3156 0.0133223 -0.000373651 -0.0179635 19
5615 179 H 28.0614 12.4281 14.7705 0.00312426 -0.00121326 0.0101276 19
5616 180 H 28.6991 14.097 12.9083 0.000485184 -0.0131917 -0.00918807 19
5617 181 H 30.3687 13.8012 13.3707 0.00429422 -0.00105147 -0.00302988 19
5618 182 H 30.2881 11.4749 12.661 0.00999456 0.0033686 0.00220292 19
5619 183 H 28.5609 11.4899 12.6015 -0.00105266 -0.00135865 -0.0159068 19
5620 184 H 28.4799 12.7774 10.5424 0.00724088 0.000987608 -0.0133186 19
5621 185 H 30.0598 13.5019 10.8493 0.00106342 0.00152905 0.0104811 19
5622 186 H 31.0215 11.158 10.4111 -0.00500908 -0.00433615 0.00297349 19
5623 187 H 29.3913 10.7028 9.94578 -0.00641799 -0.00154851 -0.00194318 19
5624 188 H 29.3244 12.4816 8.2095 -0.00033952 0.00643484 0.00717612 19
5625 189 H 30.9827 12.9508 8.62514 0.00362045 -0.00180222 -9.0551e-05 19
5626 190 H 31.6499 10.5232 8.01585 0.00195765 0.00246309 0.000714073 19
5627 191 H 29.9909 10.2058 7.41602 0.0103156 -0.0107928 0.00380867 19
5628 192 H 32.0543 12.1703 6.23468 -0.00596736 0.00707759 0.00018875 19
5629 193 H 31.6436 10.5474 5.6448 0.000786055 7.09316e-05 0.00992435 19
5630 194 H 29.1396 11.5581 5.73897 0.00119423 -0.0154956 -0.00849789 19
5631 195 H 29.9739 13.0824 5.63435 -0.00188313 -0.00639374 0.0044754 19
5632 196 H 30.7299 10.8651 3.6646 0.0256487 0.0163822 -0.00219849 19
5633 197 H 29.1264 11.6263 3.52311 0.00295847 -0.00861126 -0.0103275 19
5634 198 H 30.3043 13.8177 3.38587 -0.000969366 0.00760046 -0.00898887 19
5635 199 H 31.8941 12.9864 3.38028 -0.00271175 -0.00933447 0.00754878 19
5636 200 H 31.1483 13.6239 1.05551 0.00780216 -0.00886063 -0.0115113 19
5637 201 H 31.0739 11.7898 1.20867 -0.0014845 -0.00297938 0.000664631 19
5638 202 H 29.6196 12.7612 1.26217 -2.81767e-05 -0.00551884 0.00758298 19
5639 203 H 28.7624 18.6645 14.0406 0.0012038 -0.000988911 -0.0142564 19
5640 204 H 27.3082 17.5333 13.8771 0.00454131 -0.00420918 0.0020575 19
5641 205 H 26.0848 19.4717 12.8358 -0.00148721 0.00557615 -0.015311 19
5642 206 H 27.6679 20.1723 12.4742 0.00589105 -0.000370363 0.0189159 19
5643 207 H 28.2294 18.5328 10.9386 -0.00320246 0.0192828 0.00313017 19
5644 208 H 26.97 17.4265 11.4771 0.00372186 0.00407928 0.00554866 19
5645 209 H 25.2083 18.947 10.4861 -0.000685887 0.0155144 0.0189642 19
5646 210 H 26.4031 20.2538 10.2691 0.00536742 -0.00149691 -0.000220421 19
5647 211 H 26.6079 17.6589 8.64934 -0.000354036 0.00145668 -0.00532137 19
5648 212 H 25.4923 18.9905 8.16835 0.00222762 -0.00728692 -0.0155444 19
5649 213 H 27.2751 20.5357 8.00851 -0.00293373 -0.00454396 0.00689021 19
5650 214 H 28.4596 19.335 8.56833 -0.00287256 -0.000952683 0.0110104 19
5651 215 H 28.8069 19.4354 6.24174 0.000408665 0.0068176 0.00500906 19
5652 216 H 27.9001 17.9296 6.4407 -0.00488656 -0.00195633 0.0021141 19
5653 217 H 25.9242 18.906 5.42685 -0.00255122 0.003717 -0.0152003 19
5654 218 H 26.4056 20.5489 5.86223 0.0076165 0.000129177 0.00554174 19
5655 219 H 26.653 20.3189 3.44912 -0.0104457 -0.000371555 0.00836475 19
5656 220 H 28.154 20.6615 4.21893 -0.00412584 0.00725499 -0.00477993 19
5657 221 H 29.0704 19.0355 3.03204 0.00291713 -0.00346695 0.00985838 19
5658 222 H 28.3641 17.9286 4.17164 -0.0140664 0.00299177 0.0115405 19
5659 223 H 27.9239 17.1336 2.07177 0.00824363 -0.000643349 0.0169538 19
5660 224 H 26.367 17.7344 2.7507 0.00931166 -0.0145852 0.00520497 19
5661 225 H 26.5007 18.4577 0.281785 0.00246786 -0.00107925 0.00218898 19
5662 226 H 26.8074 19.9033 1.31736 0.000527151 0.00382637 -0.00511579 19
5663 227 H 28.1325 18.9555 0.583791 -0.00779719 0.000264608 -0.0118628 19
5664 228 H 18.5202 17.4725 32.7855 -0.00429403 -0.0039967 -0.00463676 19
5665 229 H 19.0302 15.796 33.2049 0.011194 0.000687871 0.0048867 19
5666 230 H 20.0905 16.6768 35.2491 -0.00572243 -0.00122276 0.00758214 19
5667 231 H 19.4137 18.2877 34.8465 0.0112067 -0.00379445 0.0100487 19
5668 232 H 17.178 17.6014 34.8651 0.00362846 0.0039799 -0.00580803 19
5669 233 H 17.6362 15.9272 35.2387 -0.00871513 -0.000702291 -0.00218882 19
5670 234 H 18.075 18.3136 37.1739 -0.0203184 0.002918 0.00105361 19
5671 235 H 16.7057 17.298 37.2713 -0.00266583 -0.0056331 -0.00177547 19
5672 236 H 18.399 15.3041 37.4481 0.023823 -0.00618068 0.0156195 19
5673 237 H 19.6383 16.4993 37.6777 0.00795856 -0.0166132 -0.00945785 19
5674 238 H 17.4514 15.4763 39.537 0.00192822 -0.00687011 -0.00260776 19
5675 239 H 19.1554 15.6536 39.8573 0.000888383 0.00304815 0.0139794 19
5676 240 H 18.4712 18.2959 39.6035 0.0126527 -0.0102083 0.000202973 19
5677 241 H 16.9209 17.6316 39.9954 -0.000171017 0.00232991 0.0109226 19
5678 242 H 19.376 17.1178 41.7748 0.00637942 0.0111768 -0.00914291 19
5679 243 H 18.5034 18.6157 41.8073 -0.00776738 0.000659115 -0.00285896 19
5680 244 H 16.3788 17.3978 42.4677 0.00455831 0.00679461 0.00233223 19
5681 245 H 17.3888 15.8784 42.5355 0.0106136 -0.00122918 -0.00437305 19
5682 246 H 18.9351 17.2202 44.1823 0.000967892 -6.47999e-05 -0.004808 19
5683 247 H 17.8314 18.5483 43.9575 0.00170621 0.00175617 0.00102739 19
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5685 249 H 17.2171 15.8521 45.2613 -0.00918059 -0.00342473 -0.0140868 19
5686 250 H 18.4271 17.1831 46.9167 0.000598025 -8.64001e-05 -0.00699584 19
5687 251 H 17.4857 18.6897 46.4076 -0.0151292 0.00272784 0.00657498 19
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5694 258 H 25.0315 22.6869 35.5403 -0.00294069 -0.00349 0.00514174 19
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5699 263 H 24.5868 22.9441 39.3598 -0.0110218 0.00287731 0.00633423 19
5700 264 H 23.547 21.597 39.7109 0.00102731 0.0161357 0.010902 19
5701 265 H 25.6513 20.3847 40.7058 0.0160824 0.00288748 -0.0104798 19
5702 266 H 26.533 21.8999 40.3637 -0.00415462 0.0140965 -0.0126279 19
5703 267 H 24.9566 23.1684 41.881 0.0205285 0.000235742 0.0134405 19
5704 268 H 23.9284 21.735 42.0621 0.00387805 -0.0167969 -0.00339869 19
5705 269 H 25.8932 20.5478 43.0475 0.0100536 0.00223176 -0.0115955 19
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5711 275 H 24.2252 22.2564 46.7711 0.00391036 -0.0141962 -0.0118167 19
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5721 285 H 26.7654 13.5504 37.5219 -0.000300443 0.010709 0.00828364 19
5722 286 H 26.3551 11.2349 38.4684 -0.0049575 0.00178589 0.00335704 19
5723 287 H 24.7055 11.6986 38.8688 0.00731378 -0.00719958 0.00446707 19
5724 288 H 25.885 13.7772 40.0988 0.00706934 0.00426335 0.0133147 19
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5727 291 H 24.4764 12.0207 41.2602 0.00170628 -0.00625853 -0.0154508 19
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5730 294 H 25.2869 11.1058 43.723 0.0034648 0.000529952 0.00779342 19
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5735 299 H 24.2038 12.6009 46.5695 0.0108251 0.0135656 0.00657401 19
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5737 301 H 25.4692 12.1304 48.5278 -0.000493856 0.00490769 0.00102473 19
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5740 2 C 29.3363 27.2655 30.1314 -0.0019242 -0.00155293 -0.000906295 20
5741 3 C 28.8675 26.1797 29.4378 -0.004326 0.00343637 0.00109098 20
5742 4 C 28.1983 25.1395 30.0701 0.00180411 0.00173176 0.00047126 20
5743 5 C 27.9622 25.1684 31.4601 0.00600741 0.00396586 0.00160341 20
5744 6 C 28.3853 26.3065 32.1872 -0.000357458 0.00147884 -0.000484874 20
5745 7 C 23.5261 23.8639 30.5467 -0.00324279 0.000794221 -0.000291968 20
5746 8 C 23.8099 23.8371 29.1678 0.00192167 0.00052993 0.00351973 20
5747 9 C 25.1105 23.9239 28.7138 -0.00353618 -0.00314648 -0.00427861 20
5748 10 C 26.1353 23.9639 29.6414 -0.00348463 -0.00075121 -0.00407539 20
5749 11 C 25.9001 23.9759 31.071 0.00112425 -0.00143262 -0.00182962 20
5750 12 C 24.5528 23.9134 31.5289 -0.00452326 0.00137261 0.00200286 20
5751 13 C 29.1658 20.5236 31.4584 -0.000458275 0.00242113 0.00160323 20
5752 14 C 29.3917 20.5893 30.0777 0.00281422 0.00157475 -0.0018611 20
5753 15 C 28.8733 21.651 29.3634 0.00153878 -0.00284379 -0.000419569 20
5754 16 C 28.1777 22.6854 30.0055 0.00363394 0.0018855 -0.00100946 20
5755 17 C 27.6263 23.9239 29.2824 -0.00097382 -0.00459781 0.00217067 20
5756 18 O 28.4719 21.5364 33.5715 -0.000636272 -0.00185697 0.00290243 20
5757 19 O 24.2341 23.8827 32.896 -0.00305072 -0.00354684 0.00282001 20
5758 20 O 28.1248 26.546 33.5188 0.000180213 -0.00208864 0.000488976 20
5759 21 C 28.5285 21.5793 32.1785 0.00319835 0.00390308 0.00231557 20
5760 22 C 27.971 23.8772 27.8531 0.000924372 -0.00360326 -0.0011025 20
5761 23 C 28.437 23.8259 26.7186 -0.00128757 -0.00105909 -0.00252501 20
5762 24 C 29.1357 23.8055 25.4792 0.00193232 -4.22191e-05 -0.00196755 20
5763 25 C 29.7372 22.5888 25.0557 -0.00540122 0.00365832 0.00373706 20
5764 26 C 30.6373 22.6159 23.9723 -0.000131292 -0.0038567 0.00206154 20
5765 27 C 30.9066 23.8348 23.3082 0.00222298 0.00129708 -0.00119211 20
5766 28 C 30.2543 24.9913 23.697 0.00151844 -0.00243644 -0.00121064 20
5767 29 C 29.3829 25.0027 24.7821 -0.00307214 0.00164691 0.000967747 20
5768 30 C 31.6692 23.87 22.1136 -0.000299309 0.0018577 -0.00331241 20
5769 31 C 32.1364 23.9079 21.0085 -0.0026412 0.000496846 -0.00615848 20
5770 32 C 30.3844 20.7065 18.6473 0.00125724 -0.00224959 0.00365751 20
5771 33 C 30.5296 20.7291 17.2678 0.00439412 0.00285897 -0.000552072 20
5772 34 C 31.2608 21.7426 16.6369 -0.00163649 0.00121252 0.00157695 20
5773 35 C 31.8745 22.7664 17.4421 0.00267357 -0.00363018 0.00438769 20
5774 36 C 31.6911 22.7212 18.8337 0.00121319 -0.00231686 -0.000436501 20
5775 37 C 30.9583 21.6799 19.4852 -0.000228952 -0.00086127 0.00103141 20
5776 38 C 32.4269 23.8826 19.5728 -3.55651e-05 0.00443301 0.000769967 20
5777 39 C 36.2997 23.764 19.504 -0.000252504 -0.000648382 -0.00185958 20
5778 40 C 36.49 23.8819 18.116 0.000921766 0.00117899 0.00155535 20
5779 41 C 35.4107 23.8267 17.2368 -0.00171862 -0.000478554 -0.00322821 20
5780 42 C 34.1293 23.7751 17.7675 -0.00323895 -0.00118422 0.00107514 20
5781 43 C 33.9106 23.7903 19.1792 -0.0026951 -0.00314421 0.00342017 20
5782 44 C 35.009 23.7708 20.0714 0.00402455 0.00330916 0.00170714 20
5783 45 C 31.4295 27.5182 18.635 0.000636077 0.00156606 0.00435248 20
5784 46 C 31.7668 27.5061 17.2863 7.34013e-05 -0.00257263 -0.000167417 20
5785 47 C 32.1982 26.3111 16.6518 0.000547585 0.00464319 0.00193795 20
5786 48 C 32.2816 25.1625 17.4451 0.000572567 -0.00496272 0.00029328 20
5787 49 C 32.8569 23.8844 16.9634 0.00183254 -0.000813551 0.00323655 20
5788 50 C 32.0385 25.1866 18.8374 0.000118187 -0.00254738 0.000244054 20
5789 51 C 31.6056 26.3736 19.421 0.000501209 -0.00168878 0.00317837 20
5790 52 O 35.5538 23.9601 15.8885 -0.000957639 0.000151528 0.000819511 20
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5792 54 O 32.7111 26.3494 15.3602 -0.00103804 -0.00193454 0.00432201 20
5793 55 C 27.2 23.9382 31.9255 9.52483e-05 0.00345689 0.00605836 20
5794 56 C 27.9882 22.6475 31.4209 0.001473 -0.000227564 0.00375102 20
5795 57 C 36.2118 22.9621 15.1228 -0.00376416 0.00888306 0.000803516 20
5796 58 C 35.2007 22.2231 14.1753 -0.000329511 0.00260734 0.00338281 20
5797 59 C 35.1629 22.6567 12.6919 -0.00258723 0.000755373 -0.00371172 20
5798 60 C 34.1595 23.7442 12.3335 -0.00287878 -0.00135473 -0.00235886 20
5799 61 C 33.6551 23.6467 10.8907 -0.0019114 -0.000995824 0.0027533 20
5800 62 C 34.6587 23.376 9.78304 -0.00237675 -0.000729133 -0.000673922 20
5801 63 C 33.9966 23.3292 8.40153 -0.00234937 0.00254742 0.00102514 20
5802 64 C 34.9838 23.0883 7.2238 0.00412733 0.001338 -0.0017029 20
5803 65 C 34.2216 23.0623 5.87846 -0.000926889 -0.000509375 -0.00258537 20
5804 66 C 35.1743 23.0147 4.69121 0.00575793 0.00177995 -0.000489053 20
5805 67 C 34.4614 23.1412 3.34307 -0.00175774 0.000102995 -0.00343917 20
5806 68 C 35.4344 23.2538 2.17156 0.00233069 0.00254115 0.00155165 20
5807 69 F 31.263 21.4554 23.5302 0.00194574 -3.89362e-05 0.00150227 20
5808 70 C 30.9745 20.722 14.3623 -0.00292172 0.00353621 -0.000890948 20
5809 71 C 31.1519 21.296 12.96 0.00113575 -0.0040697 0.0021987 20
5810 72 C 30.6913 20.3755 11.7979 0.00228295 0.00220659 -0.000386058 20
5811 73 C 30.1494 21.1008 10.5304 0.00263273 -0.00139207 8.349e-05 20
5812 74 C 30.9333 20.7195 9.31549 -0.00103581 -0.00224689 -0.00254635 20
5813 75 C 30.4864 21.4938 8.05561 -0.00292963 0.00110181 0.000630423 20
5814 76 C 31.1412 20.8806 6.78491 -0.00385354 0.00160395 0.00251263 20
5815 77 C 30.7525 21.7026 5.55874 0.000901029 -0.000968906 0.000601134 20
5816 78 C 31.226 21.1158 4.18993 -0.00376753 0.000270159 0.00306186 20
5817 79 C 31.0092 22.1583 3.10155 -0.0059014 -0.0028315 -0.00598168 20
5818 80 C 31.4441 21.7873 1.68942 0.00535202 0.00471798 -0.000389749 20
5819 81 C 30.6159 20.6025 1.13152 0.00200312 0.00230422 -0.00100798 20
5820 82 C 32.8803 27.5963 14.6268 -0.00724604 0.00222329 -0.000804658 20
5821 83 C 33.3065 27.256 13.1961 -0.0033087 -0.00150159 -0.00107293 20
5822 84 C 33.5945 28.5473 12.3899 0.00267935 -0.00229365 -0.000733465 20
5823 85 C 33.5499 28.4461 10.8525 0.00167949 -0.00144861 0.00185638 20
5824 86 C 34.7213 27.5361 10.3579 0.00273186 0.00178152 0.000799766 20
5825 87 C 34.3528 26.9088 9.00881 0.00112255 0.00111503 -0.00266594 20
5826 88 C 34.3587 27.8725 7.78593 -0.00184498 -0.000301612 -0.000688883 20
5827 89 C 33.3886 27.3289 6.68478 0.000300683 0.00274312 0.00220383 20
5828 90 C 33.5323 27.8419 5.25049 0.00184241 -0.0017613 0.00209288 20
5829 91 C 34.7014 27.1789 4.48062 0.00202783 4.00549e-05 0.00470815 20
5830 92 C 34.5533 27.0658 2.93742 0.00129583 -0.00124219 0.00223072 20
5831 93 C 34.3222 28.4155 2.234 0.003054 0.00113938 -0.00218912 20
5832 94 C 22.9239 23.575 33.4638 -0.00214663 0.000598593 0.00147582 20
5833 95 C 22.8107 24.2099 34.8229 -0.00269941 0.00403155 0.00352323 20
5834 96 C 22.1037 23.3106 35.8129 -0.00229468 -0.00018231 -0.000605218 20
5835 97 C 22.146 23.852 37.2814 -0.00162075 -0.00188132 -0.00127328 20
5836 98 C 21.1121 23.2388 38.2349 0.00123275 -0.00508408 0.00254361 20
5837 99 C 20.9289 24.0913 39.5336 0.00207311 0.00411998 0.000902644 20
5838 100 C 21.8827 23.7771 40.664 0.00183416 -0.00149772 0.00273441 20
5839 101 C 21.4586 24.399 41.9707 0.00387297 -0.00248476 0.000985512 20
5840 102 C 22.1326 23.787 43.1865 0.000440039 0.00316877 0.00230997 20
5841 103 C 21.5883 24.4559 44.4135 0.000518104 -0.000412941 -0.00642472 20
5842 104 C 22.3048 23.9784 45.7073 0.000300884 -0.00232687 0.0028892 20
5843 105 C 21.8297 24.8136 46.9321 -0.000948258 -0.000336858 0.000132003 20
5844 106 C 28.8066 27.5561 34.335 -6.25696e-06 -0.00116594 0.00199411 20
5845 107 C 28.3093 27.5984 35.8229 0.00321617 -0.00199609 0.00173339 20
5846 108 C 29.4531 27.9041 36.8106 -0.00144298 -0.000374138 0.0013495 20
5847 109 C 29.0945 27.8649 38.2971 -0.00167857 0.0021661 0.00249489 20
5848 110 C 30.3574 28.2856 39.1041 -0.000156816 0.00356932 0.000707885 20
5849 111 C 30.3202 27.7792 40.5644 7.60354e-05 0.00050669 -0.00140239 20
5850 112 C 29.2486 28.4877 41.3941 -0.000817568 -0.000132805 3.80685e-06 20
5851 113 C 29.2302 27.9085 42.8398 0.000483171 0.00308545 -0.00106479 20
5852 114 C 30.2463 28.5444 43.8144 0.000505552 0.00237007 0.00446027 20
5853 115 C 30.0937 27.9291 45.2332 -0.00344498 0.00190537 0.00309938 20
5854 116 C 30.6088 28.8112 46.3857 -0.00249378 -0.00366056 -0.00452052 20
5855 117 C 29.8805 30.1545 46.4608 -0.00255476 -0.0019889 -0.00433449 20
5856 118 C 29.1135 20.3914 34.207 0.00300103 -0.00227042 -0.00438127 20
5857 119 C 29.1868 20.4446 35.7641 -0.00509275 0.000906884 0.000295207 20
5858 120 C 29.727 19.1292 36.3588 -0.000944309 0.00010317 -0.000984898 20
5859 121 C 30.273 19.211 37.7698 -0.00233588 5.35192e-06 0.00178876 20
5860 122 C 29.4154 19.8011 38.8991 0.00622847 0.000324707 -0.00247348 20
5861 123 C 29.8761 19.2412 40.2523 -0.00493817 0.000903241 -0.00205871 20
5862 124 C 29.068 19.8189 41.4283 0.00166757 -0.00123746 -0.00142786 20
5863 125 C 29.609 19.2293 42.7327 -0.00424888 -0.000868772 -0.00273363 20
5864 126 C 28.8804 19.7393 43.9967 0.00309821 -0.00213163 -0.00032723 20
5865 127 C 29.4496 19.1019 45.264 -0.0059383 0.000487449 0.000383218 20
5866 128 C 28.5804 19.4027 46.4681 0.00192742 -0.00137205 0.0041369 20
5867 129 C 29.2605 18.9726 47.7477 -0.000605895 0.000884517 0.00199249 20
5868 130 F 29.479 21.4465 25.7398 0.00298118 -0.00155961 0.00232919 20
5869 131 H 29.4658 28.2348 32.0036 0.00253675 0.0116324 -0.011908 20
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5871 133 H 29.0441 26.1991 28.3665 0.0219709 0.0126822 0.00556755 20
5872 134 H 22.4814 23.7797 30.8312 -0.000127216 0.00686156 0.0128809 20
5873 135 H 22.9963 23.9473 28.4569 0.0025818 -0.0123732 0.000815998 20
5874 136 H 25.3094 23.9513 27.6465 0.00085432 0.00287291 -0.00330594 20
5875 137 H 29.5486 19.6413 31.9628 -0.00256264 -0.000203504 -0.00139349 20
5876 138 H 29.933 19.8455 29.5006 -0.00753 -0.0140622 0.00865744 20
5877 139 H 29.0983 21.7251 28.3036 0.00489741 -0.00392547 0.000220045 20
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5881 143 H 30.061 19.9027 16.7417 0.00606781 -0.00021209 0.00275881 20
5882 144 H 30.8741 21.6262 20.5666 0.00240511 -0.00744822 0.000910517 20
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5887 149 H 31.7324 28.4279 16.7131 0.000933922 0.000355044 0.00450775 20
5888 150 H 33.0003 23.815 15.878 0.000850073 0.00544976 0.00271659 20
5889 151 H 31.4651 26.4968 20.4908 0.00119073 -0.00655623 0.0038192 20
5890 152 H 26.9996 23.9366 33.004 0.00134114 0.00541193 0.00629237 20
5891 153 H 37.0446 23.4252 14.5793 0.00676581 -0.00135144 0.00822692 20
5892 154 H 36.6182 22.2515 15.8531 -0.00174477 0.0008528 -0.00816138 20
5893 155 H 34.2026 22.1734 14.6278 -0.00225428 -0.0216701 -0.00348564 20
5894 156 H 35.4895 21.165 14.1518 -0.00956817 0.000167466 -0.000876853 20
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5896 158 H 36.1642 22.9909 12.3933 -0.00241082 0.00638459 0.003161 20
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5899 161 H 33.1556 24.5853 10.6206 -0.0035365 -0.00247999 0.000585463 20
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5901 163 H 35.1646 22.4193 9.96215 0.00317768 0.00306006 0.00389019 20
5902 164 H 35.4405 24.1455 9.77002 0.00151175 -0.0046338 0.00195768 20
5903 165 H 33.4819 24.2834 8.23411 0.00669255 0.00780247 0.00317867 20
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5905 167 H 35.5424 22.1482 7.31152 -0.000988336 -0.000742992 0.00841536 20
5906 168 H 35.694 23.9242 7.23788 0.0115232 -0.00506549 0.00557629 20
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5908 170 H 33.589 22.1662 5.89606 -0.0130395 0.00831944 0.0125815 20
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6023 285 H 30.4768 18.1645 38.0282 0.010869 0.0042879 0.00863608 20
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6042 2 C 33.4708 20.141 29.3079 -0.000986168 0.00238149 -0.00100873 21
6043 3 C 32.8414 19.0753 28.7069 0.00240088 -0.00167025 0.0047608 21
6044 4 C 32.1075 18.1102 29.4796 -0.00276274 0.00243139 0.000706544 21
6045 5 C 31.9316 18.2541 30.8643 0.00206138 0.00516208 -0.00274177 21
6046 6 C 32.5343 19.4039 31.4494 0.00274651 0.000669347 -0.000920575 21
6047 7 C 27.381 17.2245 30.274 -0.000571202 -0.000699519 0.00276745 21
6048 8 C 27.5729 17.1944 28.8854 0.00248213 0.0038777 0.00357507 21
6049 9 C 28.8764 17.1315 28.3717 0.00076416 0.00389707 0.00140129 21
6050 10 C 29.9502 17.1243 29.2932 0.0040743 -0.00519131 -0.00191883 21
6051 11 C 29.7453 17.1786 30.7055 -0.0018531 0.00515699 -0.000865352 21
6052 12 C 28.4394 17.2334 31.1928 -0.00113244 -0.00435162 -0.00285598 21
6053 13 C 32.6526 13.6716 31.3091 -0.00366714 -0.000748715 -2.166e-05 21
6054 14 C 32.7814 13.515 29.928 0.00568159 0.000994124 0.000831179 21
6055 15 C 32.4178 14.5248 29.105 0.00294601 0.00136766 -0.00142787 21
6056 16 C 31.9167 15.7213 29.6358 0.00247174 -0.000845754 0.00111739 21
6057 17 C 31.4071 16.9312 28.8348 0.000112935 -0.00150699 0.000312314 21
6058 18 O 32.2298 15.0064 33.2605 0.0012283 -0.00166795 0.00107014 21
6059 19 O 28.2096 17.3101 32.5424 -0.00094279 -0.000386979 9.8084e-05 21
6060 20 O 32.3951 19.61 32.8234 -0.00337344 0.000170007 -0.00167293 21
6061 21 C 32.2001 14.8545 31.8989 0.00241166 0.002851 0.00195021 21
6062 22 C 31.6866 16.7917 27.4116 -0.00176416 -0.000529812 0.00131763 21
6063 23 C 32.1173 16.6355 26.2937 0.00259161 -0.00132474 0.00131071 21
6064 24 C 32.8969 16.5842 25.1229 0.00133199 0.00167873 -0.00166521 21
6065 25 C 34.0418 15.7685 25.079 0.00654873 -0.00424747 -0.00423863 21
6066 26 C 34.9769 15.9731 24.0371 -0.00427168 -0.00184353 -0.00403243 21
6067 27 C 34.7584 17.0228 23.1209 -0.000893953 -0.00521741 -0.000605806 21
6068 28 C 33.5966 17.8093 23.1466 -0.00237293 -0.00118816 -0.00252479 21
6069 29 C 32.6682 17.614 24.1779 0.00167351 -0.000254 0.00261084 21
6070 30 C 35.594 17.171 22.0215 0.00342078 -0.00151631 -0.00262675 21
6071 31 C 36.1805 17.2401 20.9724 0.00600781 0.00162627 0.00608163 21
6072 32 C 34.9104 13.6986 18.8562 -0.00192775 0.000594885 0.00125191 21
6073 33 C 35.1303 13.6726 17.4581 -0.00291032 -0.00163186 -0.00240464 21
6074 34 C 35.683 14.7649 16.7699 0.000843925 -0.000771267 0.000385182 21
6075 35 C 36.0436 15.8944 17.4751 -0.00174045 -0.00149913 0.00133982 21
6076 36 C 35.9116 15.8957 18.8741 -0.00222856 -0.00637334 0.00025323 21
6077 37 C 35.2739 14.8312 19.5556 0.00121194 -0.00032648 0.000443569 21
6078 38 C 36.4523 17.1916 19.535 0.00233371 -0.00108498 0.00152979 21
6079 39 C 40.2668 17.3516 19.2611 0.000782702 0.00344041 0.00275884 21
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6081 41 C 39.2076 17.446 17.0589 0.000891577 -0.00139876 0.000419393 21
6082 42 C 37.9823 17.269 17.6547 0.00184598 0.000211021 -0.00635666 21
6083 43 C 37.8647 17.3295 19.0613 0.00480143 2.69521e-05 -8.95554e-05 21
6084 44 C 39.0041 17.4022 19.8713 0.00146669 0.00129485 0.000606079 21
6085 45 C 34.3651 20.3096 18.6442 0.00126575 0.00337905 -0.000905822 21
6086 46 C 34.4759 20.2461 17.2412 0.00391519 0.00143077 -0.00106509 21
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6088 48 C 35.8581 18.311 17.4188 -0.000965023 0.00302358 0.00133676 21
6089 49 C 36.6738 17.1431 16.8781 0.00122082 0.000915506 -0.00252518 21
6090 50 C 35.6946 18.3227 18.8226 0.00157178 0.00252972 0.00121678 21
6091 51 C 35.0133 19.3652 19.4683 -0.00176943 0.00201206 0.00367152 21
6092 52 O 39.4015 17.6587 15.6792 -0.000840194 0.00340578 0.00155113 21
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6094 54 O 35.3583 19.1581 15.2385 -0.000918563 0.00227541 -0.000992701 21
6095 55 C 31.0339 17.1572 31.5146 -0.00128316 0.00174458 0.000682822 21
6096 56 C 31.7391 15.8819 31.059 0.00166256 -0.00212483 -0.000622616 21
6097 57 C 39.2122 16.6105 14.7329 -0.00292211 0.00446577 0.00226608 21
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6099 59 C 39.1055 17.3777 12.3013 -0.00179432 -0.000870741 0.00052447 21
6100 60 C 38.4784 17.2024 10.9009 -3.95803e-05 0.00643782 0.000636127 21
6101 61 C 38.0871 15.7369 10.5627 0.00686221 -0.00382147 0.000570802 21
6102 62 C 37.4787 15.5772 9.164 0.000794974 -0.00366877 0.00177999 21
6103 63 C 38.1332 16.4705 8.09575 -0.000139806 -0.0026025 -0.00180374 21
6104 64 C 37.7026 16.0287 6.69384 -0.000116942 -0.00343566 -0.000744031 21
6105 65 C 38.2864 16.8973 5.56959 0.000533697 0.000300352 -0.00253784 21
6106 66 C 37.9632 16.373 4.15086 -0.0020312 -0.000327863 0.00036109 21
6107 67 C 38.5167 17.2044 2.98564 0.000441225 0.00168446 -0.00339428 21
6108 68 C 38.2108 16.5667 1.64266 -0.00185445 0.00069856 0.0049039 21
6109 69 F 36.1118 15.2561 24.0555 0.00290206 0.00081418 -0.00405982 21
6110 70 C 36.8335 13.6849 14.9605 0.000750065 -0.00354114 -0.00185097 21
6111 71 C 36.5487 13.4597 13.475 0.000930984 -0.00207883 -3.03516e-05 21
6112 72 C 37.7567 12.8936 12.7078 0.00118484 0.000449914 -0.00126359 21
6113 73 C 37.4972 12.4241 11.2728 0.000805233 0.00128193 0.000866981 21
6114 74 C 38.4998 11.3813 10.7377 -0.00460141 0.000197034 0.00365155 21
6115 75 C 38.1521 10.7739 9.36614 -0.000918391 0.00427531 0.00108356 21
6116 76 C 38.1964 11.7923 8.19221 -0.0045035 -0.000885505 0.00113138 21
6117 77 C 38.128 11.0313 6.82998 -0.000576004 0.00172482 -0.00203214 21
6118 78 C 38.6111 11.921 5.65556 -0.00708478 -0.00168321 -0.00168714 21
6119 79 C 38.5452 11.1657 4.32374 -0.000302249 0.000790085 -0.000409072 21
6120 80 C 39.0324 12.0221 3.16251 -0.000478436 -9.92438e-05 -0.00167008 21
6121 81 C 38.8794 11.2792 1.80083 2.61757e-05 -0.00119454 0.00418402 21
6122 82 C 34.1634 18.5442 14.689 -0.00326035 0.00269033 1.45413e-06 21
6123 83 C 33.9989 18.802 13.2078 -0.00164581 0.00212317 -0.00523224 21
6124 84 C 35.0172 18.111 12.3186 -0.000550037 -0.00350517 -0.00287087 21
6125 85 C 34.6283 18.0353 10.8173 0.000879392 -0.00224521 -0.00194545 21
6126 86 C 34.4909 19.4201 10.176 0.00245266 -0.00344075 0.00351153 21
6127 87 C 34.0486 19.4114 8.71531 -0.00275972 0.0034387 -0.00178491 21
6128 88 C 34.9042 18.6756 7.65058 -0.000781371 0.00064486 -0.00339257 21
6129 89 C 34.5455 19.2409 6.25603 0.0023649 0.00367034 -0.00159623 21
6130 90 C 35.1538 18.5093 5.01396 -0.000825265 -0.00201394 0.00098474 21
6131 91 C 34.4025 19.017 3.77599 0.000476515 0.000451396 0.00247907 21
6132 92 C 35.0248 18.5211 2.43599 -0.00296492 0.000783507 0.00234426 21
6133 93 C 34.2788 19.1908 1.25163 0.0027434 -0.00125245 0.0023329 21
6134 94 C 26.8654 17.207 33.0947 -0.00157077 0.000145357 0.00202164 21
6135 95 C 26.823 17.3219 34.651 0.00182015 0.00152522 0.0051276 21
6136 96 C 25.4109 17.2023 35.263 -0.00227664 0.000449245 0.00192837 21
6137 97 C 25.3147 17.1661 36.8313 0.000442905 -0.000221168 0.00452445 21
6138 98 C 26.5737 17.6686 37.6223 0.0029106 0.00207091 0.00413888 21
6139 99 C 26.5084 17.641 39.1789 -0.00345496 0.00387617 -0.00370383 21
6140 100 C 25.516 16.6439 39.8514 -7.80854e-06 -0.00111816 0.00178686 21
6141 101 C 25.5654 16.5808 41.388 0.00358121 -0.00342966 -0.000282842 21
6142 102 C 25.4382 17.9018 42.1356 -0.000505434 -0.00236943 -0.00196739 21
6143 103 C 24.7834 17.7362 43.5194 -0.000400329 -0.000968891 -7.56808e-06 21
6144 104 C 25.6962 17.0246 44.5605 0.00307559 0.00268603 -0.0023658 21
6145 105 C 25.0579 16.9747 45.956 0.00134752 -0.00317528 0.00427028 21
6146 106 C 33.2199 20.6106 33.4483 0.00194444 -0.00580316 0.00223388 21
6147 107 C 33.0183 20.6859 34.9545 0.00202845 0.0011967 -0.000164718 21
6148 108 C 33.5335 22.0117 35.5201 -3.53323e-05 -9.80675e-05 0.000949685 21
6149 109 C 32.9374 22.2727 36.9099 0.000781256 1.60882e-05 0.00397272 21
6150 110 C 33.741 21.6506 38.0689 0.00281938 -4.48098e-05 -0.000201812 21
6151 111 C 32.9132 21.7937 39.3719 0.00267457 -0.00180071 0.00174206 21
6152 112 C 33.6789 21.3939 40.6356 0.00382591 -0.00183878 0.0013409 21
6153 113 C 32.8327 21.5977 41.8996 -0.0010866 -0.000922583 0.00422753 21
6154 114 C 33.5599 21.331 43.2572 -0.00265453 0.000194571 0.000923496 21
6155 115 C 32.7388 21.7702 44.5083 0.00409324 -0.00155704 -0.000993927 21
6156 116 C 33.5528 21.9353 45.8143 -0.000478837 0.00140983 0.00524143 21
6157 117 C 33.6017 20.678 46.6755 -0.00512343 -0.00262066 0.00300172 21
6158 118 C 32.2079 13.8623 34.1341 -0.0036546 0.00355973 0.00312795 21
6159 119 C 33.6434 13.3519 34.4284 -0.00635238 0.00026523 0.00237517 21
6160 120 C 33.8679 12.5593 35.7662 -0.00125929 0.00248505 -0.00118007 21
6161 121 C 33.2365 13.1882 37.0304 0.000832581 0.00491703 0.00166633 21
6162 122 C 33.8046 12.7021 38.3655 -0.000461948 -0.00475438 -0.00534778 21
6163 123 C 32.9563 13.1074 39.5407 -0.00355403 -0.00314855 0.00467514 21
6164 124 C 33.7179 12.8125 40.834 0.000687595 0.00288897 0.00101058 21
6165 125 C 32.7571 12.9654 42.0403 0.00476026 -0.00254014 0.00260321 21
6166 126 C 33.5455 12.9436 43.3827 0.00597081 0.00402976 -0.00403494 21
6167 127 C 32.614 13.0385 44.5825 0.00482563 -0.0039186 -0.00349129 21
6168 128 C 33.2677 12.8687 45.9829 -0.00446908 -0.000915911 0.00344387 21
6169 129 C 32.2438 12.977 47.1527 0.000663897 0.0012126 0.00124849 21
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6172 132 H 34.0071 20.8385 28.6713 0.00277589 0.00802189 0.00837528 21
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6187 147 H 38.9398 17.3352 20.9534 -0.00625987 0.00848276 0.000577063 21
6188 148 H 33.7415 21.0882 19.0736 0.00713669 0.00295688 0.0083527 21
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6191 151 H 34.8968 19.4085 20.5471 0.0119192 -0.00764813 0.00553697 21
6192 152 H 30.8405 17.1911 32.5939 0.00406802 -0.0102203 0.00202617 21
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6194 154 H 38.7641 15.7374 15.223 0.00731096 -0.00221843 -0.000229699 21
6195 155 H 37.5742 17.741 13.8893 -0.00284102 0.000517844 -0.00606149 21
6196 156 H 37.6846 16.098 13.3083 0.0024027 -0.0101877 0.00943134 21
6197 157 H 40.0221 16.7761 12.2641 -0.00629646 -0.00781914 0.00185717 21
6198 158 H 39.4041 18.4126 12.5095 -0.00653001 -0.00204826 0.0133437 21
6199 159 H 39.2121 17.5979 10.1877 -0.00258215 0.0110539 0.000582881 21
6200 160 H 37.5822 17.8341 10.936 0.00730183 0.0169411 -0.00105248 21
6201 161 H 37.3218 15.3532 11.2487 -0.01007 0.0095666 -0.010798 21
6202 162 H 38.992 15.1227 10.6481 0.0109274 0.00219124 0.000830902 21
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6204 164 H 37.6046 14.5317 8.85642 0.00395606 -0.00373077 0.00328337 21
6205 165 H 39.2188 16.3837 8.22749 -0.000442523 0.00252811 0.00413636 21
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6208 168 H 38.0546 15.0109 6.48521 0.00787283 -0.00182714 0.0048873 21
6209 169 H 39.3706 16.9437 5.73036 0.00186604 0.00293509 -0.0123304 21
6210 170 H 37.9639 17.9437 5.63652 -0.00845146 -0.0027238 0.00123632 21
6211 171 H 36.8684 16.3055 4.13866 -0.00218353 0.00363413 -0.0060436 21
6212 172 H 38.3423 15.3435 4.15075 0.0112446 0.00459517 -0.00991764 21
6213 173 H 39.6104 17.2277 3.06705 0.000622585 0.00636337 -0.00720057 21
6214 174 H 38.1281 18.2272 3.06473 0.00705914 0.00513936 -0.0158012 21
6215 175 H 37.1592 16.3789 1.39308 -0.000403331 0.00608532 -0.00532938 21
6216 176 H 38.7738 15.6322 1.52821 0.00807192 0.00759673 -0.00283995 21
6217 177 H 38.6367 17.2548 0.901973 -0.00206368 0.00979875 0.0132217 21
6218 178 H 37.8726 14.0227 15.0589 -0.00270415 0.00686991 -0.00117389 21
6219 179 H 36.7305 12.7546 15.5327 0.00175007 -0.00441 -0.00308649 21
6220 180 H 35.7894 12.6724 13.3919 -0.00712394 0.00445679 0.0119672 21
6221 181 H 36.1606 14.3806 13.0224 0.000351134 -0.00379825 -0.00302925 21
6222 182 H 38.4779 13.7129 12.598 -0.00127577 0.00277684 -7.80214e-05 21
6223 183 H 38.2007 12.081 13.296 -0.00359188 -0.0012347 1.23271e-05 21
6224 184 H 36.4996 11.968 11.2602 0.00164358 -0.00052522 5.26726e-05 21
6225 185 H 37.4782 13.2846 10.5927 -0.00211096 -0.00162939 -0.00272762 21
6226 186 H 39.4759 11.8666 10.6149 -0.00379083 -0.00247384 -0.000483627 21
6227 187 H 38.6261 10.5369 11.4265 0.00550258 -0.00588453 -0.00562352 21
6228 188 H 38.8552 9.97775 9.09204 -0.00112913 0.00416026 0.000875391 21
6229 189 H 37.1446 10.3512 9.46422 0.00349262 -0.00490653 0.00674755 21
6230 190 H 37.3182 12.442 8.29177 0.00714847 0.0145374 0.0029225 21
6231 191 H 39.1265 12.3703 8.25793 -0.000464618 -0.00864683 0.0124036 21
6232 192 H 38.7716 10.143 6.82078 0.00342352 0.00456613 0.003585 21
6233 193 H 37.0947 10.738 6.60719 0.00197096 -0.00444519 -0.00568463 21
6234 194 H 38.0043 12.8333 5.60313 -0.0114626 -0.00328417 0.0210421 21
6235 195 H 39.6394 12.2374 5.86972 -0.0104322 -0.000371661 0.0125122 21
6236 196 H 39.1656 10.2616 4.35535 0.0126036 0.0101997 0.0146391 21
6237 197 H 37.5226 10.7985 4.17316 -0.000456749 0.00268664 -0.00394278 21
6238 198 H 38.4403 12.9435 3.1007 -0.0108179 -0.00690977 -0.00454154 21
6239 199 H 40.0905 12.2392 3.35397 1.49482e-05 -0.00423137 0.000325543 21
6240 200 H 37.806 11.1452 1.61867 0.000894844 -0.00257069 0.000114124 21
6241 201 H 39.3709 11.8348 0.992638 -0.00785396 -0.00479617 -0.00307009 21
6242 202 H 39.2907 10.2627 1.82933 -0.0119322 -0.00594058 0.00841962 21
6243 203 H 34.1816 17.4675 14.8979 -0.00899375 0.00444346 0.00957166 21
6244 204 H 33.2824 18.9682 15.1863 -0.00473595 0.00974664 -0.00862505 21
6245 205 H 33.0076 18.4257 12.9264 0.0073218 -0.0132449 -0.0163063 21
6246 206 H 33.9865 19.8836 13.0248 0.00423997 0.00550609 0.0143668 21
6247 207 H 35.9898 18.5892 12.4884 -0.0100783 0.014408 0.00116763 21
6248 208 H 35.1674 17.0723 12.6382 -0.0134354 -0.00761027 -0.0101725 21
6249 209 H 35.4208 17.521 10.2597 -0.000127995 -0.0134046 0.00695143 21
6250 210 H 33.6941 17.4781 10.6746 -0.00231069 0.00277492 -0.000676015 21
6251 211 H 33.7979 20.0433 10.7546 -0.0054477 0.00164224 -0.0114534 21
6252 212 H 35.4268 19.9772 10.3063 0.0129657 -0.0197189 -0.0025504 21
6253 213 H 33.0537 18.9692 8.58133 0.00219428 -0.00474858 -0.0117713 21
6254 214 H 33.9018 20.459 8.42467 0.00102441 0.00221331 -0.00809443 21
6255 215 H 35.9782 18.7927 7.84089 -0.00192573 0.017709 -0.00749527 21
6256 216 H 34.7239 17.5935 7.65258 -0.00225158 0.000923855 0.00822873 21
6257 217 H 33.4527 19.2727 6.16583 0.00111429 0.000968929 0.0125815 21
6258 218 H 34.7743 20.3136 6.2377 0.0070792 0.00292973 0.0138838 21
6259 219 H 36.202 18.789 4.85121 0.00024775 -0.00737126 -0.00131684 21
6260 220 H 35.0766 17.4179 5.09291 -0.00853203 -0.00273552 -0.0164274 21
6261 221 H 33.3428 18.7353 3.74149 -0.000959275 0.00511527 0.00895895 21
6262 222 H 34.4048 20.1133 3.81388 -0.000293819 0.000565871 -0.00082959 21
6263 223 H 36.0751 18.8332 2.38269 -0.00119473 -0.0030062 0.0151197 21
6264 224 H 35.0278 17.4328 2.29798 -0.00556082 0.00351242 -0.0194993 21
6265 225 H 34.5727 20.2469 1.21068 -0.00426791 0.00112746 0.0134598 21
6266 226 H 34.5524 18.7395 0.28991 -0.00532523 -0.00473308 0.00167168 21
6267 227 H 33.1885 19.1413 1.36228 0.00280218 -0.00344807 0.00192147 21
6268 228 H 26.2538 18.0305 32.7058 -0.0120451 -0.00271039 0.0124194 21
6269 229 H 26.4404 16.2508 32.7654 -0.000153111 0.00803452 -0.0227546 21
6270 230 H 27.4486 16.4958 35.0112 -0.00401071 -0.00735396 -0.0050543 21
6271 231 H 27.2623 18.2766 34.9654 -0.0211105 0.0142404 -0.00143303 21
6272 232 H 24.8098 18.0586 34.9332 0.00972833 -0.000584537 -0.0225976 21
6273 233 H 24.838 16.3712 34.8335 0.0113916 -0.00596871 -0.00384366 21
6274 234 H 24.4362 17.7362 37.1579 -0.00866023 -0.00843937 -0.00563598 21
6275 235 H 25.1299 16.1345 37.1555 0.00597176 -0.00772544 -0.0162606 21
6276 236 H 27.4361 17.068 37.3077 -0.00677714 -0.00704384 -0.00501343 21
6277 237 H 26.8535 18.6851 37.3192 -0.00222302 0.003339 0.00367587 21
6278 238 H 27.4973 17.3982 39.5869 -0.00275552 0.00244405 -0.00625679 21
6279 239 H 26.2818 18.6498 39.5454 -0.0117427 0.0019292 -0.00347164 21
6280 240 H 24.4985 16.8809 39.5168 0.00855919 0.0174432 -0.0111606 21
6281 241 H 25.7424 15.6485 39.4497 -0.010034 -0.00878916 0.0151378 21
6282 242 H 24.7221 15.9558 41.707 -0.00317665 0.00421928 -0.00314461 21
6283 243 H 26.4812 16.0732 41.7153 0.0123331 0.00673283 -0.00901404 21
6284 244 H 26.3934 18.4295 42.2479 -0.00140009 -0.000819507 -0.00161772 21
6285 245 H 24.7686 18.5394 41.5452 -0.00696745 0.00337892 0.0115697 21
6286 246 H 24.5078 18.7003 43.9643 -0.0101247 -0.00519248 0.00315443 21
6287 247 H 23.8439 17.1932 43.3584 0.00277513 -0.00589033 -0.00194151 21
6288 248 H 25.8654 15.9921 44.2307 0.002323 -0.00311835 0.0154101 21
6289 249 H 26.6671 17.5271 44.6513 -0.000627625 0.0105462 -0.00629317 21
6290 250 H 24.8967 17.9771 46.3715 -0.000820397 0.000332244 -0.00502718 21
6291 251 H 24.1003 16.4438 45.8885 -0.00160173 0.00133308 0.0108 21
6292 252 H 25.6818 16.3753 46.6304 0.000686779 -0.0050619 0.00320788 21
6293 253 H 34.2611 20.3699 33.2005 0.0015379 -0.00840339 0.00306355 21
6294 254 H 33.0434 21.5859 32.9782 -0.00908748 -0.00785135 0.00216335 21
6295 255 H 31.9655 20.4832 35.1865 -0.00212258 0.0170438 -0.00523024 21
6296 256 H 33.623 19.8648 35.3587 -0.00229067 -0.00152046 0.000767439 21
6297 257 H 34.6222 22.1357 35.4671 0.000230114 0.000430148 0.00767892 21
6298 258 H 33.1434 22.8 34.8645 -0.000744596 0.00788162 0.0109635 21
6299 259 H 32.8967 23.3552 37.083 0.0154395 0.00121734 8.85967e-06 21
6300 260 H 31.9282 21.8433 36.9336 -0.00014123 0.00236733 0.00707825 21
6301 261 H 33.915 20.5793 37.9092 -0.00134216 0.00116859 -0.0128056 21
6302 262 H 34.7106 22.1517 38.1791 -0.0010009 0.00742686 -0.000551102 21
6303 263 H 32.4986 22.8006 39.5045 0.00231055 -0.00109507 -0.00480912 21
6304 264 H 32.0661 21.1016 39.2894 -0.000867502 0.00292766 -0.00146111 21
6305 265 H 34.0447 20.365 40.5306 -0.00631927 -0.00376525 -0.0151853 21
6306 266 H 34.5491 22.06 40.6846 0.00166144 0.000727089 0.00489231 21
6307 267 H 32.496 22.6408 41.8569 -0.00322707 -0.00204062 -0.00642174 21
6308 268 H 32.0017 20.8907 41.7851 -0.00258974 0.000454156 0.006716 21
6309 269 H 33.8629 20.2814 43.3568 -0.00547938 -0.00202001 -0.0139333 21
6310 270 H 34.4841 21.9179 43.1876 0.000694951 -0.00695037 -0.0152367 21
6311 271 H 32.2039 22.7024 44.2882 -0.00163283 -0.00340258 0.00507412 21
6312 272 H 31.9337 21.0492 44.6961 -0.00538121 0.00552154 -0.0144757 21
6313 273 H 34.5517 22.2988 45.5432 -0.00101737 -0.00115723 -0.000209286 21
6314 274 H 33.0875 22.7176 46.4265 -0.00221463 0.0016803 0.00357624 21
6315 275 H 33.9494 19.7929 46.1287 0.00172675 -0.00436838 0.0101898 21
6316 276 H 34.2342 20.8245 47.5598 -0.00192852 -0.00538589 0.00117415 21
6317 277 H 32.586 20.4378 47.0132 -0.00751443 0.00873763 0.00387005 21
6318 278 H 31.7369 14.1525 35.0814 -0.00801094 0.0210452 -0.00441122 21
6319 279 H 31.565 13.0957 33.6844 0.0210793 -0.00224799 -0.0222814 21
6320 280 H 34.331 14.1942 34.2832 0.000705645 -0.00549304 0.00238712 21
6321 281 H 33.9717 12.6354 33.6654 0.0109129 0.00930664 0.00129777 21
6322 282 H 34.9412 12.4343 35.9551 -0.00181236 0.0198771 0.0136034 21
6323 283 H 33.4778 11.5383 35.6721 -0.00374129 0.00351284 -0.00206177 21
6324 284 H 32.1571 12.9926 37.046 0.000479729 0.00677364 0.00038203 21
6325 285 H 33.4334 14.2661 36.9779 0.0173748 0.00178362 -0.00116085 21
6326 286 H 34.8409 13.0464 38.4704 -0.00308167 -0.00293511 0.0144231 21
6327 287 H 33.8243 11.6057 38.3347 -0.00480277 -0.00554638 0.0208186 21
6328 288 H 32.0142 12.5468 39.5018 0.00324706 -0.0129044 -0.019804 21
6329 289 H 32.7937 14.1901 39.4718 -0.00189574 -0.00268243 0.0080507 21
6330 290 H 34.5316 13.5424 40.9264 0.0051473 -0.00312901 0.00928263 21
6331 291 H 34.1893 11.8219 40.8265 -0.00870369 -0.00155955 0.00060266 21
6332 292 H 32.0986 12.088 42.032 -0.00623767 0.00586649 -0.00958967 21
6333 293 H 32.1757 13.8878 41.9196 0.00385273 -0.0049097 -0.011206 21
6334 294 H 34.1719 13.8438 43.3558 0.0120915 -0.000325993 -0.00691095 21
6335 295 H 34.1401 12.0367 43.5485 -0.00178377 0.000692798 0.00573578 21
6336 296 H 31.914 12.1949 44.5412 -0.000252781 0.000725669 -0.011802 21
6337 297 H 32.0281 13.9594 44.4724 -0.0116174 -0.0129878 0.00826731 21
6338 298 H 34.0686 13.6004 46.1458 -0.00216446 -0.00154301 -0.00509655 21
6339 299 H 33.8246 11.9238 46.0046 -0.0181276 -0.00899686 0.000390445 21
6340 300 H 32.6208 12.6479 48.1289 0.000419156 0.00668264 0.00318568 21
6341 301 H 31.4031 12.3154 46.9099 -0.00273252 0.0089894 -0.00818022 21
6342 302 H 31.8937 14.0141 47.226 -0.0118767 -0.00226773 -0.00940535 21
6343 1 C 36.5125 27.2648 31.0018 -0.00403619 0.00101651 -0.00320404 22
6344 2 C 36.8134 27.1348 29.6617 -9.08563e-05 0.00198216 0.000407471 22
6345 3 C 36.5064 25.9204 29.019 9.33981e-05 0.00216849 -0.00118878 22
6346 4 C 36.0581 24.8073 29.765 -0.00466719 0.000951866 -0.0028929 22
6347 5 C 35.8518 24.9118 31.1124 0.00236234 -0.00352333 0.000554245 22
6348 6 C 36.0602 26.1585 31.7535 -0.00174413 -0.00237055 0.000475702 22
6349 7 C 31.5516 23.7065 30.4533 -0.00209541 -0.00645782 0.000685617 22
6350 8 C 31.772 23.6115 29.0619 -0.000432719 -0.00101287 0.00406907 22
6351 9 C 33.0662 23.5474 28.5935 -0.00143062 -0.0028351 -0.00203074 22
6352 10 C 34.102 23.561 29.5584 -0.00219183 0.00190441 0.00128928 22
6353 11 C 33.8892 23.6103 30.9366 -0.0034951 4.38576e-05 0.0018738 22
6354 12 C 32.5716 23.694 31.4221 -0.0012864 -0.00272789 -0.000781304 22
6355 13 C 36.9916 20.2704 31.6495 -0.000247174 0.00435567 0.00423778 22
6356 14 C 37.1913 20.1789 30.2773 0.000935204 -0.00334233 -0.00193084 22
6357 15 C 36.7548 21.2083 29.4884 0.00209609 0.00167291 0.00251971 22
6358 16 C 36.1207 22.3346 30.0278 -0.00238822 0.000509817 0.00029692 22
6359 17 C 35.55 23.4853 29.1592 0.00411713 0.00226204 0.0013175 22
6360 18 O 36.3561 21.4477 33.6703 -0.00196564 0.00300296 0.000765019 22
6361 19 O 32.2718 23.845 32.7668 -0.000786563 0.000357252 -0.00238557 22
6362 20 O 35.7151 26.2896 33.0579 0.00104546 0.00520774 0.00134407 22
6363 21 C 36.4429 21.4252 32.2674 0.00109787 -0.000134168 -9.819e-05 22
6364 22 C 35.9649 23.3919 27.7543 -0.00159923 -0.0015946 -0.000802657 22
6365 23 C 36.4258 23.387 26.6483 -0.000332052 -0.000493138 -0.00610714 22
6366 24 C 37.2185 23.3862 25.4628 0.00184442 0.00329765 -0.00104083 22
6367 25 C 38.0829 22.3159 25.1537 -0.00397988 0.00183406 0.00161998 22
6368 26 C 38.9304 22.3992 23.9986 0.000575945 0.000976951 0.00248557 22
6369 27 C 38.941 23.5872 23.2498 0.00103025 -0.00308784 -0.00108571 22
6370 28 C 38.0789 24.6625 23.6294 -0.000801784 -0.00207019 -0.000213479 22
6371 29 C 37.1896 24.5544 24.7027 -0.00385174 0.00035353 -0.00369369 22
6372 30 C 39.6682 23.739 22.0382 -0.000210089 -0.000328735 0.00136273 22
6373 31 C 40.121 23.7583 20.927 -0.000160954 0.000830594 0.00419907 22
6374 32 C 38.2449 20.6954 18.4721 -0.00184426 -0.00554249 0.00375926 22
6375 33 C 38.4464 20.6779 17.0873 -0.00021819 -0.00365531 -0.00104087 22
6376 34 C 39.2111 21.7019 16.4886 0.00326649 0.00402883 0.000548504 22
6377 35 C 39.8446 22.6881 17.3059 -0.00100557 -0.000621349 0.00125481 22
6378 36 C 39.6049 22.692 18.697 -0.00561507 0.00085996 -0.000884222 22
6379 37 C 38.7955 21.6772 19.2905 -0.000257112 0.0019513 -0.000299791 22
6380 38 C 40.3909 23.7609 19.4956 -0.000462562 -0.00221126 0.0023829 22
6381 39 C 44.2685 23.3365 19.2401 -0.00159783 0.00336094 -0.000890954 22
6382 40 C 44.421 23.5804 17.8727 -0.000933361 -0.0023868 0.00223274 22
6383 41 C 43.3266 23.742 17.0511 0.00274544 -0.00032763 -3.0536e-05 22
6384 42 C 42.0363 23.7054 17.6387 -0.00173715 -0.00101702 0.00164782 22
6385 43 C 41.8484 23.5913 19.0228 -0.00221662 0.0030103 0.00331635 22
6386 44 C 42.9841 23.3575 19.8102 -0.0033535 -0.000175665 -0.000393893 22
6387 45 C 38.858 27.2517 18.8569 0.00037612 -0.000721599 -0.000601825 22
6388 46 C 39.0358 27.2916 17.4647 0.00294921 -0.00126262 -0.00172897 22
6389 47 C 39.6632 26.2806 16.741 -0.00262094 -0.00267425 -0.00171564 22
6390 48 C 40.0744 25.107 17.4112 -0.000173621 0.00295957 -0.00421795 22
6391 49 C 40.7321 23.8186 16.848 0.00205122 0.0016848 -0.000200473 22
6392 50 C 39.9512 25.0672 18.8361 0.000253561 0.00515964 -0.0006858 22
6393 51 C 39.2879 26.1227 19.514 -0.00195874 -0.00407612 -0.000956569 22
6394 52 O 43.5226 24.069 15.7361 0.00166076 0.00414231 0.00167434 22
6395 53 O 39.4251 21.7501 15.152 0.00255628 0.00150828 -0.00416457 22
6396 54 O 39.7414 26.524 15.3882 -0.00158099 0.00390089 0.00577502 22
6397 55 C 35.159 23.6705 31.7875 0.00235612 -0.00354829 -0.000218936 22
6398 56 C 35.9484 22.4409 31.4069 -0.00440492 0.00384944 -0.00274172 22
6399 57 C 43.8734 23.0656 14.7627 -0.000441928 -0.00124285 -0.00264292 22
6400 58 C 42.7087 23.0564 13.7054 0.00083521 -0.000333023 -0.00133722 22
6401 59 C 43.1272 22.5163 12.3506 -0.00109519 0.00111475 -0.00352112 22
6402 60 C 42.0463 22.7055 11.2795 0.00178405 -0.00161253 0.00456633 22
6403 61 C 42.4636 22.5501 9.84198 0.00045331 -0.00169722 0.002326 22
6404 62 C 43.1431 23.8191 9.26027 0.00465871 0.0034083 -5.95879e-05 22
6405 63 C 42.625 24.2614 7.86942 0.00201083 -0.00391103 -0.00141496 22
6406 64 C 42.856 23.1923 6.78515 0.00111883 0.000114836 -0.000628845 22
6407 65 C 42.7286 23.8186 5.37174 -0.000954127 0.00273302 0.00254905 22
6408 66 C 42.8102 22.7826 4.25836 0.000242406 -0.000774392 0.000598947 22
6409 67 C 42.5981 23.4283 2.84336 0.00100875 0.000673489 -0.000542417 22
6410 68 C 43.5999 24.5457 2.54149 0.000300147 0.00155778 0.00466148 22
6411 69 F 39.7727 21.3612 23.6759 -0.00176084 -0.000928647 0.00269222 22
6412 70 C 38.7573 20.8877 14.2215 -0.000231906 0.00162343 0.000329181 22
6413 71 C 39.3328 21.1652 12.8064 -0.00376223 -0.00152853 0.00359683 22
6414 72 C 38.3544 20.8085 11.6861 0.00105312 -0.002544 -0.000258461 22
6415 73 C 39.0089 20.6453 10.2944 0.00171579 0.00192529 0.00174627 22
6416 74 C 37.927 20.4294 9.21584 -1.00266e-05 -0.00348241 -0.0015396 22
6417 75 C 38.5709 20.1783 7.81371 0.000278181 0.00180864 0.00409924 22
6418 76 C 38.8049 21.4206 6.95579 -0.000379636 0.000189517 0.00372106 22
6419 77 C 38.6623 21.056 5.4854 0.00123074 0.00460651 0.00276886 22
6420 78 C 38.8659 22.2544 4.55839 0.00200065 0.00196064 -0.00121667 22
6421 79 C 38.5594 21.9215 3.06957 -0.00213891 -0.000605782 0.00163182 22
6422 80 C 39.6323 21.0346 2.40349 0.00405422 -0.000441248 -0.000545034 22
6423 81 C 39.174 20.5122 1.05161 0.00171189 0.000618346 0.00511143 22
6424 82 C 40.7059 26.0187 14.45 -0.000510048 0.00277777 0.00097786 22
6425 83 C 40.8533 27.045 13.3158 -0.00253497 0.00665901 -0.000355107 22
6426 84 C 41.4666 26.5159 12.0058 0.00257518 -0.00522042 -0.00193472 22
6427 85 C 41.5045 27.6581 11.0051 -0.000116812 -0.00147286 -0.00272787 22
6428 86 C 42.037 27.3344 9.61203 0.0022795 -0.00172868 0.00411417 22
6429 87 C 42.2925 28.5714 8.70956 -0.00272477 -0.00206047 -0.00177794 22
6430 88 C 42.9036 28.2376 7.34038 -0.00282583 0.00286874 0.00149047 22
6431 89 C 41.8746 27.6301 6.36014 0.00173856 -0.000396372 -0.00629328 22
6432 90 C 42.4341 27.3396 4.95978 0.00419696 -0.000875489 0.00268511 22
6433 91 C 42.3764 28.5265 4.06339 -0.00235554 0.0024744 -0.0050408 22
6434 92 C 42.7969 28.2781 2.61604 -0.000999057 0.000672907 4.53131e-05 22
6435 93 C 41.8245 27.4646 1.8096 0.00243789 8.22323e-05 -0.0018029 22
6436 94 C 30.8903 24.0057 33.1275 -0.00355117 -0.000474607 -0.00198299 22
6437 95 C 30.7199 23.7176 34.6356 0.00299083 0.00455605 0.00470948 22
6438 96 C 29.4279 24.3467 35.1593 0.000225446 0.00338038 0.00160244 22
6439 97 C 28.8905 23.9078 36.5425 -0.00176595 -0.000781895 0.00119268 22
6440 98 C 29.8013 24.1046 37.7824 -0.00140399 0.0042028 0.00124398 22
6441 99 C 29.0126 23.8235 39.0807 0.00215673 -0.000632846 0.00171824 22
6442 100 C 29.8965 23.7107 40.3334 -0.00150554 -0.00594854 0.00202979 22
6443 101 C 28.9995 23.8281 41.5771 -0.00164403 -0.000445045 -0.000436903 22
6444 102 C 29.8823 23.6102 42.8616 0.00271033 -0.000254427 -0.00461496 22
6445 103 C 29.114 24.0053 44.2073 0.00131845 0.00744163 0.000608158 22
6446 104 C 29.8963 23.682 45.5145 -0.00050532 -0.000819463 0.00345785 22
6447 105 C 29.2011 24.3971 46.7026 0.000354478 -0.00264361 -0.00272437 22
6448 106 C 35.7246 27.5156 33.8033 0.0014964 -0.00150994 -0.00157645 22
6449 107 C 37.1132 28.0547 34.0839 -0.00268032 -0.00342751 -0.00229403 22
6450 108 C 37.3297 28.886 35.3422 0.00436566 -0.000779897 0.00262334 22
6451 109 C 36.8402 28.2428 36.6653 0.00272365 -0.00347236 0.000264839 22
6452 110 C 37.4235 28.8751 37.9352 0.000578967 -0.000137928 0.000826773 22
6453 111 C 36.9942 28.0855 39.2039 0.00103443 0.000290436 -0.0015545 22
6454 112 C 38.0209 28.2259 40.3391 -0.00215371 0.000246645 -0.00773343 22
6455 113 C 37.5653 27.5903 41.643 2.53173e-05 -0.000952729 0.00220695 22
6456 114 C 36.5102 28.3947 42.4249 -0.00370665 0.000640125 0.00167958 22
6457 115 C 36.6712 28.1578 43.9537 -0.00756067 0.00153403 0.00109051 22
6458 116 C 38.043 28.6503 44.5982 -0.00602053 0.00122008 -0.00467555 22
6459 117 C 37.9568 29.079 46.093 0.00314169 -0.00097925 -0.00317024 22
6460 118 C 36.9248 20.3529 34.4515 -0.00154365 -0.00239661 0.00179531 22
6461 119 C 36.8213 20.4617 36.0297 0.000567463 0.00466173 0.000198474 22
6462 120 C 37.419 19.2467 36.7421 -0.00340282 -0.00193806 0.00182556 22
6463 121 C 37.9143 19.5661 38.1851 0.00115521 -0.000514991 -0.00410752 22
6464 122 C 36.8517 19.4843 39.3186 -0.00178444 0.00311701 -0.00209286 22
6465 123 C 37.4951 19.6645 40.7018 -0.000124031 -0.00328501 0.00309134 22
6466 124 C 36.5415 19.6878 41.9117 -0.0011716 0.00163176 0.00231312 22
6467 125 C 37.2821 19.6337 43.2573 0.00160941 0.00281124 0.0035284 22
6468 126 C 36.3748 19.4452 44.4838 0.000637884 -0.00292618 0.00415487 22
6469 127 C 37.1469 19.1537 45.7831 0.00130997 -0.00602683 0.00119472 22
6470 128 C 37.7178 20.4086 46.4285 -0.00537082 0.00211281 3.85992e-05 22
6471 129 C 38.499 20.0705 47.7653 -0.0027241 0.00074088 -0.00289304 22
6472 130 F 38.068 21.183 25.899 -0.00116071 -0.00211011 -0.000474591 22
6473 131 H 36.6717 28.2468 31.4374 -0.00567076 -0.00484324 0.0106105 22
6474 132 H 37.1764 27.9827 29.0883 -0.0189776 0.016177 0.00943638 22
6475 133 H 36.6743 25.8657 27.9475 -0.0123541 0.005659 -0.0033091 22
6476 134 H 30.4946 23.845 30.6603 -0.00346489 0.000134621 -0.0105209 22
6477 135 H 30.9425 23.675 28.3638 0.010988 -0.00559798 -0.00990785 22
6478 136 H 33.254 23.391 27.5354 -0.000925089 0.00997258 -0.00381194 22
6479 137 H 37.2965 19.4047 32.2301 -0.000449578 0.00508201 0.00542691 22
6480 138 H 37.685 19.3104 29.8515 -0.00435049 -0.00694034 -0.000720836 22
6481 139 H 36.909 21.0888 28.42 -0.0149611 -0.00976438 0.00133532 22
6482 140 H 38.1019 25.584 23.0553 -1.55017e-05 -0.00594694 -0.00640399 22
6483 141 H 36.5075 25.3645 24.9433 0.0160979 0.0160722 -0.000119066 22
6484 142 H 37.6806 19.913 18.9709 0.00822034 -0.0101174 0.00798747 22
6485 143 H 38.0076 19.8653 16.5159 -0.0100132 0.00699921 -0.00864888 22
6486 144 H 38.6019 21.6195 20.3576 -0.00807421 0.00305333 -0.00165419 22
6487 145 H 45.1169 23.2606 19.9137 0.00910823 0.00172511 -0.0145933 22
6488 146 H 45.3916 23.669 17.3937 -0.00105025 -0.00581704 0.0013576 22
6489 147 H 42.8209 23.2329 20.8767 -0.00598946 -0.0212001 -0.00324932 22
6490 148 H 38.3446 28.061 19.3677 -0.00460851 -0.00201624 -0.00354841 22
6491 149 H 38.6677 28.1554 16.919 0.00268949 0.00679217 0.0112119 22
6492 150 H 40.8711 23.8054 15.7599 0.0062797 -0.00682968 0.000446163 22
6493 151 H 39.1567 26.0837 20.5913 0.0124698 0.00315825 0.00107112 22
6494 152 H 35.008 23.7134 32.8732 -0.00547255 -0.000732569 -0.00143315 22
6495 153 H 44.8456 23.2773 14.3006 0.00451458 0.000908359 0.00877324 22
6496 154 H 43.9728 22.0599 15.1894 -0.00744559 0.00137244 0.00510878 22
6497 155 H 42.3325 24.082 13.6053 -0.00757367 -0.00367473 -0.00394349 22
6498 156 H 41.8826 22.4542 14.1031 -4.81417e-05 0.0026502 0.00134864 22
6499 157 H 43.3564 21.4441 12.3872 0.0183375 0.00544469 0.00156813 22
6500 158 H 44.0654 22.9874 12.0323 -0.00837508 0.0137101 -0.00628316 22
6501 159 H 41.3986 23.5648 11.4923 -0.0152667 -0.0101455 -0.0129469 22
6502 160 H 41.4354 21.8063 11.4271 -0.000723244 0.00199921 0.0161744 22
6503 161 H 41.5751 22.3452 9.23206 -0.00227322 0.00348319 0.00454849 22
6504 162 H 43.1338 21.6834 9.78731 0.000743824 -0.00145607 0.00206685 22
6505 163 H 44.227 23.6569 9.21354 0.0044604 0.0040493 -0.00699439 22
6506 164 H 42.9509 24.672 9.92289 0.00688241 0.0114429 -0.00973211 22
6507 165 H 43.1896 25.1302 7.50916 -0.00820031 0.00058758 -0.00657665 22
6508 166 H 41.5842 24.5879 7.98599 -0.00344115 -0.0188525 -0.00852673 22
6509 167 H 42.132 22.3709 6.85305 0.00650776 -0.00564094 -0.0124072 22
6510 168 H 43.8619 22.7604 6.85576 -0.00474718 -0.0149882 -0.0092393 22
6511 169 H 43.5018 24.5857 5.24041 0.00891874 -0.00704095 0.00363225 22
6512 170 H 41.7579 24.3224 5.28704 -0.00764278 -0.00813465 0.0145913 22
6513 171 H 42.0519 22.0112 4.441 0.00556183 -0.00469663 0.00615419 22
6514 172 H 43.7694 22.2514 4.29252 -0.00952613 -0.0175897 0.0133916 22
6515 173 H 41.5908 23.8625 2.82817 0.00194824 0.00304388 0.00474306 22
6516 174 H 42.5529 22.6245 2.09816 -0.00125183 0.00921787 -0.00959871 22
6517 175 H 44.5942 24.2452 2.89416 0.00284461 0.0018846 -0.00226892 22
6518 176 H 43.3053 25.437 3.10913 -0.0138243 0.00381231 -0.00619749 22
6519 177 H 43.5885 24.7623 1.46613 -0.0251482 -0.00582399 0.00342202 22
6520 178 H 38.9761 19.8309 14.4184 -0.00512848 0.00102568 0.00253875 22
6521 179 H 37.6677 21.0092 14.2597 -0.00224834 -0.0127195 -0.0113072 22
6522 180 H 39.5585 22.2334 12.6996 -0.0103421 -0.000705842 -0.00212997 22
6523 181 H 40.2873 20.6284 12.7421 -0.00752588 -0.00861593 0.00699927 22
6524 182 H 37.8576 19.8625 11.9348 -0.00268497 0.00172316 0.00849347 22
6525 183 H 37.5142 21.5127 11.6488 -0.00518787 -0.00991382 0.000675302 22
6526 184 H 39.5332 21.5867 10.089 -0.000853032 0.00360236 0.00284072 22
6527 185 H 39.7066 19.7993 10.2642 -0.00959367 -0.0074359 0.00228724 22
6528 186 H 37.3119 19.5655 9.49633 -0.000822836 -0.000567672 0.00566798 22
6529 187 H 37.238 21.2801 9.14526 0.00206114 -0.00129643 0.00468986 22
6530 188 H 39.4974 19.5963 7.89211 -0.00772751 -0.0114321 0.000433876 22
6531 189 H 37.8848 19.5185 7.26848 -0.00937343 0.00118077 0.0169949 22
6532 190 H 38.0649 22.2005 7.17345 -0.00822527 -0.00507438 -0.00403887 22
6533 191 H 39.8293 21.7865 7.09745 0.00050637 0.00226297 -0.0079191 22
6534 192 H 39.413 20.3012 5.22065 -0.0163567 -0.0112033 -0.00195186 22
6535 193 H 37.6641 20.6376 5.30654 0.00439459 0.00179059 -0.00830909 22
6536 194 H 38.1853 23.0444 4.89914 0.000274507 0.00365473 -0.0086026 22
6537 195 H 39.9027 22.5955 4.66839 0.00335775 -0.00507354 0.00789992 22
6538 196 H 37.6054 21.3801 3.07956 -0.00651471 0.0068831 -0.0119872 22
6539 197 H 38.4241 22.8006 2.42741 -0.0153547 -0.00394334 -0.000162914 22
6540 198 H 40.5302 21.6568 2.30306 0.00286473 -0.000188525 -0.00952971 22
6541 199 H 39.9024 20.156 3.0023 0.00361198 -0.0016373 -0.00209684 22
6542 200 H 39.8859 19.7811 0.649003 0.00346787 0.0064418 -0.00231921 22
6543 201 H 38.2423 19.955 1.20924 0.00339152 -0.00265205 0.00349251 22
6544 202 H 39.0125 21.3591 0.373268 -0.0085888 -0.00213687 0.00412629 22
6545 203 H 41.6574 25.8159 14.9569 0.000407865 -0.00725214 -0.00473121 22
6546 204 H 40.3746 25.0466 14.0646 0.0151357 0.00140518 -0.00902838 22
6547 205 H 39.8742 27.49 13.0993 -0.00227061 0.00544198 -0.00402461 22
6548 206 H 41.4212 27.9144 13.6694 -0.00847147 0.0140566 -0.00894777 22
6549 207 H 42.4436 26.0545 12.1958 0.00191456 -0.00261464 0.00785569 22
6550 208 H 40.7763 25.774 11.5859 -0.00496049 0.0039748 -0.00586235 22
6551 209 H 40.5115 28.1137 10.9057 0.00894568 0.0171108 -0.00814469 22
6552 210 H 42.173 28.4013 11.4569 -0.000454027 -0.0135909 0.0177289 22
6553 211 H 42.9697 26.7759 9.75935 0.0044847 0.00444738 0.0136738 22
6554 212 H 41.2816 26.7447 9.07821 -0.00411973 0.0057335 0.00488518 22
6555 213 H 41.3756 29.1703 8.6457 0.000803445 0.00309216 -0.00402955 22
6556 214 H 43.0377 29.1764 9.24069 0.000996746 0.00378543 -0.0136589 22
6557 215 H 43.3043 29.1479 6.8776 0.00382695 -0.00164534 -0.00163001 22
6558 216 H 43.7347 27.5424 7.51174 -0.00959532 -0.00911165 -0.0143099 22
6559 217 H 41.5484 26.6913 6.82463 -0.0051749 0.00166656 -0.00698575 22
6560 218 H 40.9699 28.2459 6.28364 -0.00328916 -0.00899303 -0.0162309 22
6561 219 H 43.4875 27.0539 5.07009 0.00611053 0.00629801 0.00309908 22
6562 220 H 41.8345 26.5067 4.57219 0.00385255 -0.00513633 0.0123221 22
6563 221 H 41.379 28.983 4.07881 -0.0013009 0.00476324 -0.00434215 22
6564 222 H 43.0583 29.2911 4.45571 0.011527 -0.00456032 -0.0154593 22
6565 223 H 42.9697 29.2125 2.06781 -0.00225144 0.00313386 0.0038573 22
6566 224 H 43.7482 27.732 2.59756 0.00440034 0.00974165 0.0106702 22
6567 225 H 40.9015 28.0135 1.58585 0.000484359 -0.00452568 -0.00506948 22
6568 226 H 42.3009 27.2466 0.845768 0.0024645 -0.0144387 0.00151275 22
6569 227 H 41.5892 26.5304 2.33436 -0.0064488 -4.05465e-06 -0.00595091 22
6570 228 H 30.55 25.0231 32.8986 -0.00568009 0.0017389 0.0109588 22
6571 229 H 30.2709 23.2922 32.5702 0.00275301 -0.00388883 -0.00462599 22
6572 230 H 30.7243 22.6269 34.7535 -0.0043218 0.00307638 -0.00857208 22
6573 231 H 31.5642 24.1655 35.1739 0.00613465 0.00681373 -0.00208567 22
6574 232 H 29.6798 25.4137 35.1957 -0.0134017 0.00640375 0.0068452 22
6575 233 H 28.6669 24.2069 34.3816 0.0057913 -0.0148052 -0.000583927 22
6576 234 H 27.9735 24.4703 36.757 -0.0106331 -0.00941496 -0.0142629 22
6577 235 H 28.6692 22.8334 36.5371 -0.0100847 0.00103233 -0.0115844 22
6578 236 H 30.6048 23.3589 37.7399 -0.000368154 0.00540955 -0.000256273 22
6579 237 H 30.1913 25.1297 37.8029 0.00433449 0.00199514 0.00208023 22
6580 238 H 28.3379 24.6813 39.1923 0.0090934 0.0063576 -0.0098078 22
6581 239 H 28.4408 22.8946 38.964 -0.00671829 0.00563518 -0.00459407 22
6582 240 H 30.3474 22.7107 40.3422 0.0138684 0.00104261 0.00418535 22
6583 241 H 30.648 24.5097 40.344 -0.00316926 -0.00428054 -0.00549137 22
6584 242 H 28.5031 24.8063 41.5918 -0.0104246 -0.00501761 0.00819461 22
6585 243 H 28.1772 23.1023 41.5956 -0.00354129 0.00157167 -0.00612096 22
6586 244 H 30.2046 22.5616 42.8733 -0.00210929 -0.00168262 -9.98839e-05 22
6587 245 H 30.7881 24.2208 42.7611 0.000219996 0.00282069 -0.0084135 22
6588 246 H 28.937 25.0874 44.2381 0.00512292 0.00825469 -0.00636034 22
6589 247 H 28.1659 23.4567 44.2667 0.00605985 -0.00167789 -0.00781613 22
6590 248 H 29.9131 22.6022 45.7073 0.011894 -0.000486617 0.00427189 22
6591 249 H 30.9487 23.9896 45.4793 0.000454255 -0.00445998 0.000245431 22
6592 250 H 28.1353 24.1481 46.7771 -0.00287374 0.00734167 -0.0153885 22
6593 251 H 29.6526 24.0561 47.6424 -0.0139063 -0.0125011 0.000570447 22
6594 252 H 29.1889 25.4938 46.6769 0.0166923 -0.00231129 0.00495105 22
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6596 254 H 35.3239 27.2927 34.7999 -0.00174828 -0.00124162 -0.00282309 22
6597 255 H 37.8363 27.2297 34.0869 0.00350301 0.00198032 -0.000570409 22
6598 256 H 37.3985 28.6546 33.2109 0.00657103 -0.000715014 0.0026226 22
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6600 258 H 36.8724 29.8656 35.1561 -0.00441354 -0.00472657 0.00342082 22
6601 259 H 35.7564 28.4127 36.655 0.00801428 0.0302921 -0.00138918 22
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6603 261 H 38.5164 28.9031 37.8441 0.000460176 0.0040489 0.00059198 22
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6605 263 H 36.0185 28.4645 39.5324 0.0036508 0.00448279 0.00140368 22
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6607 265 H 39.0055 27.8604 40.0224 -0.000122361 -0.00168992 0.000831361 22
6608 266 H 38.1679 29.2814 40.5994 -0.00177005 -0.00237381 0.0027451 22
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6610 268 H 38.4715 27.4149 42.2358 0.00800618 0.00941087 -0.00692096 22
6611 269 H 36.5316 29.4761 42.2419 0.00513445 0.000756718 0.00343012 22
6612 270 H 35.5132 28.0284 42.1504 -0.000439798 -0.0044314 -0.00341871 22
6613 271 H 35.8698 28.6719 44.4984 -0.00721097 0.00757145 -0.00409694 22
6614 272 H 36.5816 27.0829 44.1536 0.00115406 0.0030311 0.013112 22
6615 273 H 38.8055 27.872 44.4708 0.00239187 0.00747869 0.00753031 22
6616 274 H 38.3599 29.5522 44.0601 0.0170575 -0.00214355 0.00331845 22
6617 275 H 37.7833 28.2426 46.7812 0.00378441 0.00779852 0.00771368 22
6618 276 H 38.8831 29.5286 46.4715 -0.00132345 0.00543826 0.00013135 22
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6622 280 H 35.7679 20.4984 36.3337 -0.00236654 -0.0114845 -0.00795478 22
6623 281 H 37.3278 21.3704 36.3776 0.00440288 0.00375589 -0.00303039 22
6624 282 H 38.2588 18.8372 36.1671 -0.00255262 0.00223413 9.95219e-05 22
6625 283 H 36.6653 18.4531 36.8168 -0.00638853 0.000985354 0.00277445 22
6626 284 H 38.4689 20.5124 38.2039 -0.00600599 0.00351819 0.00341743 22
6627 285 H 38.6799 18.8194 38.4297 -0.015345 -0.0127191 0.0102368 22
6628 286 H 36.2983 18.5371 39.3125 -0.00582453 0.00530405 0.0203847 22
6629 287 H 36.147 20.3129 39.1763 0.00499984 0.00902513 -0.001367 22
6630 288 H 38.0958 20.5824 40.7106 0.0150787 -0.0133056 0.0147473 22
6631 289 H 38.2608 18.8926 40.8476 -0.000585895 -0.00370694 0.00327591 22
6632 290 H 35.8716 18.8207 41.8583 8.84333e-05 0.00131633 -0.00833496 22
6633 291 H 35.9646 20.6205 41.8879 0.0152949 0.0117777 -0.000286612 22
6634 292 H 37.8149 20.5887 43.3446 0.0103716 -0.00139325 -0.00391696 22
6635 293 H 38.0336 18.8361 43.2077 -0.0139246 -0.0119543 0.00580227 22
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6638 296 H 37.9824 18.461 45.6235 0.00338316 -0.00355841 0.00131967 22
6639 297 H 36.431 18.661 46.4525 0.00519243 0.00557027 0.0138477 22
6640 298 H 36.8937 21.1091 46.6115 -0.000556225 0.00662393 0.00442111 22
6641 299 H 38.4262 20.879 45.7356 0.00331637 0.000738816 0.00796704 22
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6643 301 H 39.371 19.4352 47.5667 -0.0127727 -0.0158176 0.00598959 22
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6646 2 C 41.0693 20.1464 29.7684 0.00230949 -0.00238188 -0.0025698 23
6647 3 C 40.6068 19.0273 29.0702 0.00162234 0.00255853 0.000126821 23
6648 4 C 39.9154 18.0404 29.7911 -0.000915503 0.000800138 -0.00029779 23
6649 5 C 39.7512 18.1324 31.2087 0.000591969 0.00225221 0.0019289 23
6650 6 C 40.2096 19.2916 31.8868 -0.00577618 0.00180905 -0.000150848 23
6651 7 C 35.2584 16.9473 30.6845 0.00276293 -0.000705414 0.000752048 23
6652 8 C 35.421 16.7579 29.3111 0.000198678 -0.00284912 0.0021068 23
6653 9 C 36.71 16.7458 28.7702 -0.000124014 -0.00297715 0.00237883 23
6654 10 C 37.8204 16.8061 29.6128 0.00215717 -0.000793309 0.00409876 23
6655 11 C 37.6611 16.9274 31.0096 0.00340509 0.00136143 -6.25097e-05 23
6656 12 C 36.3599 17.0223 31.5767 -0.00198784 0.00197861 -0.00181873 23
6657 13 C 41.0735 13.6648 31.4311 0.000645845 -0.00118026 0.000945148 23
6658 14 C 41.1096 13.5795 30.0532 -0.00123706 8.23271e-05 0.00291489 23
6659 15 C 40.5288 14.5482 29.2738 0.00135517 -3.19465e-05 0.00364188 23
6660 16 C 39.9004 15.6398 29.8979 -0.00010964 -0.00297589 -0.00332276 23
6661 17 C 39.2983 16.7951 29.1491 -0.00184547 0.000306722 0.000328538 23
6662 18 O 40.2704 14.6049 33.4762 -9.89815e-05 0.00236173 -0.000337262 23
6663 19 O 36.1968 17.1727 32.9531 -0.00451747 -0.000593384 -0.00186086 23
6664 20 O 40.0963 19.4416 33.2616 -0.00466081 -0.000327421 0.00193671 23
6665 21 C 40.3451 14.6499 32.0806 0.000298596 -0.00248268 -0.000592114 23
6666 22 C 39.5462 16.7458 27.7078 0.00170033 0.00266447 -0.00087729 23
6667 23 C 39.9894 16.7202 26.5822 0.00159576 -0.000255226 -0.000259682 23
6668 24 C 40.7635 16.7763 25.3807 -0.00387964 0.00585855 0.00288916 23
6669 25 C 40.4209 17.7034 24.383 -0.00157338 -0.0028138 0.000976597 23
6670 26 C 41.2648 17.8444 23.2742 0.000546157 0.00352364 -0.000774346 23
6671 27 C 42.4543 17.091 23.1608 -0.00346026 -0.00458804 -0.00101133 23
6672 28 C 42.753 16.2089 24.2207 0.00105811 -0.000265215 -0.00409729 23
6673 29 C 41.9062 16.0231 25.2968 -0.00198627 0.000807243 -0.00262629 23
6674 30 C 43.182 17.1295 21.9391 -0.00470508 0.00192741 0.000682046 23
6675 31 C 43.7454 17.1207 20.8641 0.00208449 0.000582344 -0.000716556 23
6676 32 C 42.5278 13.5976 18.6539 0.00240344 -0.00213479 0.00219611 23
6677 33 C 42.8065 13.5717 17.2749 0.00220694 0.0017648 -0.000384174 23
6678 34 C 43.4095 14.6428 16.6044 -0.000507644 -0.000577844 0.00181653 23
6679 35 C 43.803 15.7699 17.3474 0.00426266 6.07625e-05 -0.00397001 23
6680 36 C 43.5508 15.8047 18.7404 -0.00211863 0.00304656 -0.00186646 23
6681 37 C 42.9257 14.6965 19.393 0.00127216 0.00148676 -0.00168558 23
6682 38 C 44.1004 17.1011 19.4214 -0.000184627 0.000415892 0.000846204 23
6683 39 C 48.0292 16.959 19.4192 -0.000929691 -0.000831099 -0.00213954 23
6684 40 C 48.2116 17.0642 18.0597 2.75726e-05 0.00138606 -0.00517918 23
6685 41 C 47.1103 17.1344 17.1856 0.00439384 -0.0035621 -0.000174215 23
6686 42 C 45.817 17.0529 17.6895 -0.000732141 -0.00155668 0.00522185 23
6687 43 C 45.6191 17.0468 19.0634 -0.00365737 0.00173162 -0.00513699 23
6688 44 C 46.7176 16.9724 19.9451 -0.00461255 -0.0034275 -0.00693624 23
6689 45 C 42.3289 20.3226 18.1859 -0.00355862 -0.00262644 0.00227562 23
6690 46 C 42.4942 20.1428 16.8004 0.00221576 -0.00445122 0.00255927 23
6691 47 C 43.2433 19.0878 16.2957 0.00667784 -0.00383693 0.00197564 23
6692 48 C 43.7545 18.1567 17.203 -0.00262178 -0.000240662 0.00304501 23
6693 49 C 44.565 16.9625 16.8136 0.00045846 -0.00201862 0.00293847 23
6694 50 C 43.5258 18.2597 18.5699 0.00583912 0.00205409 0.00161051 23
6695 51 C 42.8641 19.4004 19.087 -0.00132535 -0.00124464 0.00145185 23
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6700 56 C 39.7447 15.6912 31.2941 -0.00086028 -0.00379171 0.00608467 23
6701 57 C 47.8819 16.3589 14.9948 0.000216355 0.00126214 0.00085671 23
6702 58 C 47.6716 16.7982 13.533 0.000157633 0.000624315 0.000802956 23
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6704 60 C 45.9296 17.0347 11.6042 -0.00237591 0.00171288 0.000250725 23
6705 61 C 46.6551 15.9096 10.8541 0.00160295 -0.00208033 0.000400557 23
6706 62 C 46.0919 15.5235 9.48674 -0.0027091 0.000650825 0.000748202 23
6707 63 C 46.2475 16.5683 8.40035 0.00315242 3.92786e-06 -2.97412e-05 23
6708 64 C 46.2001 15.8223 7.04291 -0.00282038 -0.00188107 0.00376634 23
6709 65 C 46.2604 16.7796 5.84799 -0.00671595 0.00382381 -0.00350719 23
6710 66 C 46.4546 16.0217 4.53017 -0.00194546 0.000519456 0.000320291 23
6711 67 C 46.6281 16.9937 3.33935 -0.0051851 0.000751583 0.00428821 23
6712 68 C 46.8305 16.253 2.00153 -0.0044782 0.00088864 -0.00451651 23
6713 69 F 40.8763 18.66 22.2676 0.000817942 0.00321068 0.00113584 23
6714 70 C 44.2523 13.2766 14.8769 0.00276013 -0.000468604 0.000574499 23
6715 71 C 45.221 13.2778 13.6712 0.00473874 -0.00239745 -0.00070537 23
6716 72 C 44.6845 13.1637 12.2253 -0.0011716 -0.00289359 0.000412204 23
6717 73 C 45.5588 12.2693 11.285 0.00160875 0.000217788 0.00517818 23
6718 74 C 44.9968 12.0931 9.87054 -0.00351123 0.00133594 0.000845295 23
6719 75 C 45.9641 11.1844 9.06175 -8.06659e-05 -0.00200622 0.00380305 23
6720 76 C 46.6946 11.895 7.9241 -0.000154495 0.000871841 0.00140824 23
6721 77 C 45.8347 12.1253 6.66565 -0.0028029 -0.00261635 0.000500001 23
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6724 80 C 46.8086 12.6656 2.90158 0.00193298 -0.000264416 0.00030635 23
6725 81 C 46.0328 12.6607 1.56972 0.00141429 0.00154628 -0.000414227 23
6726 82 C 42.4177 19.0363 13.966 -0.00237916 0.00433788 -0.00288562 23
6727 83 C 43.1072 18.5383 12.6552 0.00189205 -0.00404494 -0.000916175 23
6728 84 C 42.2826 18.6608 11.354 -0.000104607 -0.00549687 -0.00324409 23
6729 85 C 43.1267 18.7247 10.0412 0.00217067 0.00127959 -0.00302633 23
6730 86 C 42.2584 19.0051 8.78376 -0.00348636 0.000820029 -0.00415704 23
6731 87 C 43.1548 19.4247 7.5979 -0.000430568 -0.000396696 -0.000674679 23
6732 88 C 42.3026 19.7014 6.38517 -0.000869189 0.00285969 -0.000949751 23
6733 89 C 41.8872 18.4116 5.61616 -0.00149728 0.00115914 -0.00196083 23
6734 90 C 42.7926 18.1731 4.41005 -0.00403508 -0.00102569 -0.00423248 23
6735 91 C 42.2722 18.8575 3.10366 0.00498576 0.00559828 0.000811167 23
6736 92 C 43.2431 18.6163 1.9216 0.00360926 -0.00308928 -0.000130603 23
6737 93 C 43.4776 17.1597 1.45615 -0.002963 -0.0032888 -0.000542793 23
6738 94 C 34.8708 17.1577 33.4527 -0.000848507 -0.00312553 0.00274314 23
6739 95 C 34.7863 17.2986 34.9659 -0.000941004 0.001385 0.00422764 23
6740 96 C 33.3636 16.9552 35.3785 0.000562236 -0.00293625 0.00352168 23
6741 97 C 32.8355 17.392 36.747 -0.00460288 -0.000539085 0.00555196 23
6742 98 C 33.7596 17.064 37.9312 0.000784712 0.00036254 -0.00263293 23
6743 99 C 32.9967 17.4581 39.2038 0.000468312 0.0023345 -0.00113809 23
6744 100 C 33.6296 17.0872 40.5626 0.000847233 -0.00178041 -0.00226264 23
6745 101 C 32.7609 17.6255 41.7153 -0.000570046 -0.00130441 -0.00164958 23
6746 102 C 33.3537 17.1162 43.0594 0.000460123 0.00273589 0.00173081 23
6747 103 C 32.5447 17.4911 44.3488 0.00109332 0.00161759 -0.0024524 23
6748 104 C 33.1672 16.8162 45.5831 -0.000553018 -0.0021181 -0.00250204 23
6749 105 C 32.4629 17.1198 46.892 -0.00177034 -0.00164458 -0.00168433 23
6750 106 C 40.6682 20.596 33.9154 -0.000707359 0.00525175 -4.30447e-05 23
6751 107 C 40.6023 20.7395 35.4469 0.00089024 -0.00533191 0.00192209 23
6752 108 C 41.2715 22.0865 35.8753 -0.00349847 -0.00274095 0.00621033 23
6753 109 C 41.0092 22.5464 37.2957 0.00120498 -0.0018111 0.00138355 23
6754 110 C 42.1021 22.1897 38.3324 0.000864524 -0.0027294 0.00298371 23
6755 111 C 41.9696 20.7582 38.9191 0.000161426 -0.00253454 0.000824508 23
6756 112 C 40.9086 20.6826 40.0418 -0.000432566 -0.000569122 -0.00270453 23
6757 113 C 41.5179 21.0588 41.4076 -0.00393861 0.00131138 0.00259617 23
6758 114 C 40.5331 20.7959 42.5271 -0.00277716 0.000196757 0.00427472 23
6759 115 C 41.1762 20.6172 43.9461 -0.0007928 -0.0032438 0.00318888 23
6760 116 C 41.9146 21.8509 44.44 -0.000472415 0.000834436 0.0012692 23
6761 117 C 42.0588 21.858 45.9721 -0.00051725 0.00195574 0.0010516 23
6762 118 C 41.0933 13.6984 34.2409 -0.000678401 0.00133422 0.00220782 23
6763 119 C 40.7208 13.5784 35.7305 -0.00423592 -0.00239659 -0.00297658 23
6764 120 C 41.6147 12.5337 36.4419 -0.00141898 0.000340655 0.00228674 23
6765 121 C 41.9486 12.9414 37.9106 -0.00272343 -0.000293512 -0.0015905 23
6766 122 C 40.9255 12.4504 38.95 -0.00348275 -0.00337694 0.000596825 23
6767 123 C 41.5634 12.7122 40.3481 -0.000386708 0.00127253 0.00218844 23
6768 124 C 40.5453 12.7535 41.527 0.0038919 -0.00265943 -0.00338133 23
6769 125 C 41.297 12.9422 42.8671 0.0018058 0.000495857 0.00149352 23
6770 126 C 40.3561 12.8172 44.0849 0.00196982 0.000532634 0.00329209 23
6771 127 C 40.843 13.5047 45.4027 0.00271585 0.00181659 0.00264271 23
6772 128 C 41.9407 12.8553 46.1623 0.00305951 -0.00042721 -0.00106504 23
6773 129 C 41.4379 11.6832 46.9838 0.00218104 0.00154623 0.00200202 23
6774 130 F 39.2326 18.3395 24.4551 -0.00300981 -0.0014475 0.000339003 23
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6850 206 H 43.3617 17.4848 12.8244 -0.0112401 -0.00631137 0.00478228 23
6851 207 H 41.588 17.8141 11.2903 -0.00163369 -0.00480926 0.00426308 23
6852 208 H 41.7052 19.5929 11.3906 0.00229335 -0.00416096 0.000552557 23
6853 209 H 43.8588 19.5383 10.1158 0.0131974 -0.0109008 0.0211869 23
6854 210 H 43.7265 17.8153 9.91205 0.00576253 0.00394084 -0.00511329 23
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6858 214 H 43.9509 18.7009 7.3841 0.00215471 0.000918364 0.00450247 23
6859 215 H 41.4278 20.2711 6.72204 0.00013088 0.000443887 0.0057578 23
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6861 217 H 41.9661 17.5676 6.31244 0.000661087 0.00528722 0.00280963 23
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6863 219 H 43.8116 18.5153 4.62871 -0.000109898 -0.0152375 -0.000282815 23
6864 220 H 42.8561 17.0819 4.31712 -0.0140536 -0.00386874 0.0217843 23
6865 221 H 41.3359 18.3526 2.83563 0.00728971 -0.00423703 0.0111767 23
6866 222 H 42.1 19.9248 3.28968 0.00980565 0.00514804 0.00789917 23
6867 223 H 42.8341 19.1629 1.0629 -0.00070058 0.00391319 0.00638079 23
6868 224 H 44.2088 19.1119 2.08073 -0.00550373 0.00919566 0.0167566 23
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6871 227 H 44.2481 17.1185 0.67638 -0.000518767 0.00605966 0.00136771 23
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6873 229 H 34.4247 16.1965 33.1687 -0.00391428 0.00138315 -0.00768998 23
6874 230 H 35.3802 16.5091 35.4427 -0.0152578 -0.0185916 -0.0108886 23
6875 231 H 35.0282 18.2967 35.3516 -0.000859631 0.00331849 -0.000843855 23
6876 232 H 32.6819 17.3287 34.6044 -0.00431066 0.00277066 0.0105754 23
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6878 234 H 32.6213 18.4675 36.7183 0.00735429 0.00151159 -0.00664096 23
6879 235 H 31.8684 16.8923 36.8831 -0.00283772 -0.00352345 0.00712617 23
6880 236 H 34.0003 15.9954 37.9896 0.0161286 0.00462229 0.0120198 23
6881 237 H 34.6827 17.6449 37.8137 0.0109374 -0.013385 0.00933576 23
6882 238 H 32.783 18.5336 39.1704 -0.00481246 0.0010324 -0.00978991 23
6883 239 H 31.9674 17.0795 39.1792 -0.00168846 0.00929205 -0.0186684 23
6884 240 H 33.7832 16.001 40.5601 -0.000752449 -0.00200429 0.00638428 23
6885 241 H 34.6053 17.5886 40.5663 -0.00144588 0.00259854 0.0068324 23
6886 242 H 32.8355 18.7189 41.6673 -0.00926915 6.07994e-05 0.0165229 23
6887 243 H 31.7117 17.3483 41.5548 0.00193311 -0.017052 0.00934508 23
6888 244 H 33.3675 16.0236 42.9619 0.0139727 0.00308768 -0.000156026 23
6889 245 H 34.3902 17.4638 43.1497 0.00607244 -0.00994711 -0.0139486 23
6890 246 H 32.5028 18.5775 44.4947 -0.00146232 6.70334e-05 0.00839619 23
6891 247 H 31.5189 17.1118 44.2635 0.000751747 0.00320438 -0.00535595 23
6892 248 H 33.2598 15.7305 45.4565 -0.00782505 -0.00346488 0.00368068 23
6893 249 H 34.1455 17.3091 45.6411 -0.00379132 0.00220969 0.0152698 23
6894 250 H 31.4675 16.6713 46.7851 0.00248494 -0.0116681 0.000694638 23
6895 251 H 33.0006 16.6291 47.7127 0.00267204 0.0106432 0.00274048 23
6896 252 H 32.3589 18.1935 47.0918 -0.0151002 -0.00294009 -0.00163121 23
6897 253 H 41.7115 20.6029 33.5764 -0.00169537 0.00962749 -0.00300487 23
6898 254 H 40.1599 21.4595 33.4691 -0.0123382 -0.00808692 -0.0126674 23
6899 255 H 39.5567 20.7247 35.7786 7.60925e-05 0.00614817 -0.000159649 23
6900 256 H 41.0887 19.9313 36.007 -0.00621911 -0.00959694 0.00194204 23
6901 257 H 42.3542 21.9715 35.7415 -0.00180708 0.00779475 0.0109628 23
6902 258 H 40.9595 22.8852 35.1911 0.00460652 0.000951531 0.00682814 23
6903 259 H 40.9195 23.6345 37.1892 0.0054069 -0.00186778 -0.00282806 23
6904 260 H 40.0411 22.1692 37.6476 0.00311416 -0.000795752 0.00773285 23
6905 261 H 43.1009 22.4045 37.9329 -0.0113903 0.0181735 -0.0164743 23
6906 262 H 41.9953 22.9036 39.1585 0.0049349 -0.00324964 0.00395783 23
6907 263 H 41.7566 20.0935 38.0728 0.00698411 0.00825495 -0.00941349 23
6908 264 H 42.9614 20.5108 39.3172 -0.00192227 -0.020833 -0.00542867 23
6909 265 H 40.0528 21.3334 39.8238 0.0118852 0.0169196 0.00109688 23
6910 266 H 40.5669 19.6404 40.0597 0.006049 -0.00288418 -0.012884 23
6911 267 H 42.4539 20.5056 41.5538 -0.00238771 0.00636455 0.0117885 23
6912 268 H 41.7805 22.1234 41.4409 0.024021 -0.00550797 -0.000247565 23
6913 269 H 39.7932 21.6029 42.4583 0.00131187 0.00250868 -0.0132002 23
6914 270 H 39.9403 19.9156 42.2496 -0.00237469 0.00372892 -0.00788312 23
6915 271 H 40.3358 20.4078 44.6194 -0.00468023 0.00080809 -0.000387578 23
6916 272 H 41.8876 19.7831 43.9859 0.00604788 0.00242922 -6.56386e-05 23
6917 273 H 42.8964 22.0002 43.974 0.00267318 -0.00882565 0.00482938 23
6918 274 H 41.2926 22.6935 44.1135 0.00798383 0.00741424 0.00218307 23
6919 275 H 42.8047 22.6036 46.2739 -0.00165352 0.0111637 -0.0189122 23
6920 276 H 41.1227 22.0873 46.4962 0.000697139 0.00302669 0.00275646 23
6921 277 H 42.4761 20.9054 46.3212 0.00513998 0.000927244 -0.00849451 23
6922 278 H 41.1306 12.6711 33.8579 -0.00246376 0.00119712 0.00240464 23
6923 279 H 42.1296 14.0581 34.2299 -0.00312324 0.00836263 0.00213705 23
6924 280 H 39.6693 13.2738 35.8011 -0.00531789 0.000105788 -0.00821355 23
6925 281 H 40.8557 14.5277 36.2635 0.000668115 -0.00526334 0.000906976 23
6926 282 H 42.5092 12.3696 35.8285 0.00193552 -0.00177679 0.00775137 23
6927 283 H 41.211 11.5138 36.4272 -0.000850013 0.000362954 -0.0150375 23
6928 284 H 42.0825 14.03 37.931 0.0074955 -0.00215556 0.0276235 23
6929 285 H 42.9001 12.4922 38.2208 -0.00271928 0.00517823 0.00634399 23
6930 286 H 40.6208 11.4038 38.8268 -0.0130386 -0.000618359 0.000703934 23
6931 287 H 40.0072 13.0432 38.8571 -0.0015033 -0.00133157 -0.005887 23
6932 288 H 42.0609 13.6889 40.3033 -0.00216824 0.00270516 0.0137918 23
6933 289 H 42.3535 11.9807 40.558 0.00389741 -0.000856368 -0.0214161 23
6934 290 H 39.9878 11.8088 41.5413 0.0121696 -0.00743163 0.00380463 23
6935 291 H 39.7995 13.549 41.4074 -0.0122264 -0.0167428 0.00332849 23
6936 292 H 41.797 13.9186 42.8779 -0.00264009 0.0029739 -0.0167952 23
6937 293 H 42.0821 12.178 42.9215 0.00416793 0.00256296 -0.00349487 23
6938 294 H 40.2034 11.7515 44.2953 -0.0037296 0.00423957 0.0179205 23
6939 295 H 39.4161 13.271 43.7475 -0.00121739 -0.00507141 0.00464556 23
6940 296 H 39.9874 13.5179 46.0891 0.00679975 0.00808352 0.00761861 23
6941 297 H 41.0295 14.5681 45.2081 0.0139596 0.000305582 0.00531711 23
6942 298 H 42.4868 13.5727 46.7872 0.00257662 0.0046347 -0.00645379 23
6943 299 H 42.7059 12.5237 45.4497 -0.00744259 -0.00974781 -0.0079606 23
6944 300 H 40.7552 11.0491 46.4048 0.0133009 -0.0102175 0.0018451 23
6945 301 H 40.8186 12.0797 47.7978 0.00779506 -0.00733929 0.0105796 23
6946 302 H 42.3108 11.1724 47.4086 0.00248297 0.001949 0.00186831 23
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6948 2 C 44.9835 27.1611 29.768 -0.0005183 0.00311972 -0.000714773 24
6949 3 C 44.46 26.0819 29.1375 -0.00122311 0.00120321 0.000218901 24
6950 4 C 43.7863 25.0476 29.8032 -0.00116527 -0.00262343 -0.00138508 24
6951 5 C 43.6179 25.1321 31.2273 0.00119129 0.00153699 -0.0029051 24
6952 6 C 44.0994 26.2773 31.921 6.85847e-05 -0.000838336 -0.000213747 24
6953 7 C 39.2383 23.6922 30.4437 0.00256614 0.000250113 -0.000105113 24
6954 8 C 39.4643 23.5875 29.0749 0.000795147 -0.00117357 0.00373769 24
6955 9 C 40.7654 23.5789 28.5849 0.00430926 -0.00115224 -0.00104924 24
6956 10 C 41.8244 23.648 29.524 -0.00127962 0.00526973 0.000971611 24
6957 11 C 41.5753 23.808 30.9374 0.00024396 0.00237197 0.00252619 24
6958 12 C 40.2623 23.7867 31.3881 -0.00297994 -0.00235399 0.000171404 24
6959 13 C 44.6883 20.5567 31.6972 -0.00236936 0.000642848 -0.00120735 24
6960 14 C 44.9799 20.4421 30.3113 -0.00451848 -0.00194491 -0.004884 24
6961 15 C 44.623 21.4748 29.4546 -0.00212451 -0.00348703 -0.00297438 24
6962 16 C 43.9346 22.5875 29.9978 -0.00161129 0.00297353 0.00438243 24
6963 17 C 43.3014 23.7157 29.1454 -0.00050841 -0.00309759 0.00186192 24
6964 18 O 43.7327 21.7453 33.5827 -0.00201456 -0.00014553 -0.00154152 24
6965 19 O 39.9858 23.7747 32.7374 -0.000875299 -0.000180583 -0.00192253 24
6966 20 O 43.8439 26.4636 33.2789 -0.00401487 -0.000536101 -0.00170107 24
6967 21 C 43.9751 21.6106 32.2263 -0.0043979 0.00495672 -0.000510004 24
6968 22 C 43.6851 23.6152 27.7233 0.00109427 0.00302225 0.000514658 24
6969 23 C 44.2107 23.5547 26.6215 0.000218886 -0.00115743 0.00274394 24
6970 24 C 44.9311 23.5169 25.4058 -0.00266934 0.000890768 -0.00538295 24
6971 25 C 45.9579 22.5955 25.2599 -0.00469915 0.00323479 0.00534329 24
6972 26 C 46.7835 22.6718 24.1334 0.00186494 0.00354516 0.00186578 24
6973 27 C 46.5941 23.6722 23.1515 0.00325087 -0.00280801 -0.00263765 24
6974 28 C 45.5102 24.5945 23.3033 -0.00508852 0.00333997 -0.00490443 24
6975 29 C 44.6909 24.4978 24.4372 0.00211829 0.000414681 -0.00345949 24
6976 30 C 47.3678 23.7157 21.9486 -0.000928486 -0.000433498 -0.000442046 24
6977 31 C 47.8725 23.6886 20.8524 0.00518835 -0.00319198 -0.0011927 24
6978 32 C 46.2473 20.4495 18.5244 -4.06721e-05 0.000195609 -0.000555572 24
6979 33 C 46.3069 20.4946 17.1391 -0.00200074 -0.00459807 0.00075346 24
6980 34 C 46.9565 21.5793 16.5074 -7.15175e-05 0.000280446 -0.00224149 24
6981 35 C 47.5679 22.5833 17.304 0.00148284 0.00199825 0.00247281 24
6982 36 C 47.5012 22.5359 18.7221 -0.00114646 -0.000327988 0.000511602 24
6983 37 C 46.8484 21.4531 19.3083 0.0057956 -0.005218 -0.00581226 24
6984 38 C 48.1429 23.7088 19.4086 0.000241444 -0.00330807 -0.0043246 24
6985 39 C 51.9582 23.5965 19.0245 -0.00313023 -0.000729234 0.00505261 24
6986 40 C 52.0306 23.5507 17.6168 -0.00194087 -0.00154513 0.00374664 24
6987 41 C 50.8819 23.5568 16.8496 0.000129523 0.000659189 0.00301944 24
6988 42 C 49.6478 23.674 17.476 -0.00315005 -0.00161279 0.000525915 24
6989 43 C 49.608 23.6622 18.896 -0.00133631 -0.00108484 -0.00167659 24
6990 44 C 50.7683 23.6307 19.6899 -0.00137043 0.00182732 0.00310988 24
6991 45 C 46.6289 27.1955 18.6321 0.00185333 0.00168673 0.000715304 24
6992 46 C 46.7587 27.2033 17.2287 -0.00038277 0.00109673 0.00179801 24
6993 47 C 47.2496 26.0841 16.5635 0.00355945 0.000755536 -0.00153844 24
6994 48 C 47.6778 24.9705 17.3066 0.00186805 -0.00311829 0.00249123 24
6995 49 C 48.3261 23.7406 16.7139 -0.00183081 0.000821068 -0.000857439 24
6996 50 C 47.5395 24.9485 18.7085 0.00621056 -0.00270865 0.00124159 24
6997 51 C 47.0148 26.0807 19.3725 -1.32237e-05 -0.00320615 5.17725e-05 24
6998 52 O 50.8288 23.4892 15.4663 0.00180196 -0.00157926 -0.00183967 24
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7000 54 O 47.4454 26.1199 15.1994 -0.00318253 0.00263972 0.00300028 24
7001 55 C 42.8385 23.9346 31.7963 0.00182075 -0.00180045 0.00618731 24
7002 56 C 43.5793 22.6487 31.3698 -0.00136964 -0.00599654 0.00207632 24
7003 57 C 51.5838 22.5517 14.7117 0.00116523 0.00468783 0.00506898 24
7004 58 C 50.6934 21.9879 13.5452 -0.0031131 -0.00154721 0.00222247 24
7005 59 C 50.3251 23.0663 12.5152 0.000117769 0.000846837 0.00232712 24
7006 60 C 50.7227 22.5622 11.0875 0.00146707 -0.00047859 -0.00462325 24
7007 61 C 49.9899 23.3219 9.95115 -0.000504051 -0.00517425 -0.00113958 24
7008 62 C 50.5434 22.8243 8.60583 -0.00260455 0.00131065 0.000365545 24
7009 63 C 49.8519 23.2959 7.33767 -0.00106976 -0.000423374 0.000264333 24
7010 64 C 50.5331 22.6855 6.07258 -0.000924261 -0.00170025 0.00550085 24
7011 65 C 49.9176 23.2726 4.77392 -0.00139948 -0.00128324 0.0038929 24
7012 66 C 50.5145 22.7404 3.49469 0.00346481 -0.000256233 -0.000320914 24
7013 67 C 50.0787 23.5838 2.28287 -0.00123991 0.000329955 0.00346477 24
7014 68 C 50.6795 23.0735 0.963574 -0.000598372 -0.0001733 -0.00103597 24
7015 69 F 47.7822 21.7251 23.9239 -7.05514e-05 -0.00374033 -0.00104427 24
7016 70 C 46.4128 20.665 14.2367 0.000446674 0.00519669 0.000921141 24
7017 71 C 47.1167 20.6141 12.865 -0.00324103 0.00209905 -0.00115154 24
7018 72 C 46.3628 21.244 11.6779 -0.00175451 -0.00107928 0.00427184 24
7019 73 C 46.9943 20.8839 10.3398 0.00277858 0.00157751 0.00190164 24
7020 74 C 46.2703 21.3526 9.05811 -0.00327561 -0.00283082 -0.00349168 24
7021 75 C 46.9524 20.7095 7.85425 0.00201545 0.00476386 -0.00192462 24
7022 76 C 46.3403 21.2167 6.52418 0.00122155 0.00239607 0.000596804 24
7023 77 C 47.0477 20.536 5.30173 0.000845035 0.0019925 -0.000368315 24
7024 78 C 46.2797 20.5133 3.97345 -0.00389244 -0.000129229 -0.000526411 24
7025 79 C 46.2834 21.8596 3.20352 0.00174369 -0.000642081 0.000659377 24
7026 80 C 45.6907 21.7841 1.7733 0.000971165 0.00195672 0.00722558 24
7027 81 C 46.4226 20.7729 0.878077 -0.00141901 0.000187462 -0.000926219 24
7028 82 C 48.6419 26.806 14.7488 -0.000962387 0.00497203 -0.00315768 24
7029 83 C 48.6732 26.8048 13.2233 0.00036252 0.00377318 0.00432975 24
7030 84 C 49.5367 27.8533 12.5474 0.00138077 -0.00113813 -0.00530073 24
7031 85 C 49.4961 27.6207 11.0063 -0.00137328 -0.00138524 -0.00303498 24
7032 86 C 50.4376 28.4782 10.1583 0.0052595 0.000895067 -0.00110467 24
7033 87 C 50.0235 28.5674 8.66173 0.0039687 -0.00117978 0.000417682 24
7034 88 C 49.8398 27.1748 8.02732 0.0050453 0.0010442 -0.00078095 24
7035 89 C 49.5207 27.2781 6.49071 0.00333236 0.00223059 0.0015405 24
7036 90 C 50.698 27.7299 5.66284 0.00316744 0.0019888 0.00540421 24
7037 91 C 50.6503 27.3149 4.19322 -0.00169656 -0.000672557 0.00241028 24
7038 92 C 49.6983 28.1153 3.35918 -0.00147016 0.00410871 0.000759931 24
7039 93 C 49.9737 27.8865 1.90354 -0.00025545 -0.00296707 0.00219779 24
7040 94 C 38.6345 23.9744 33.2261 -0.000600082 0.00131828 -0.00227017 24
7041 95 C 38.4536 23.8385 34.7354 -0.00403512 -0.000824197 0.00445751 24
7042 96 C 37.0831 24.4091 35.2078 0.0021379 0.00613274 0.00626451 24
7043 97 C 36.5749 24.0302 36.6345 0.00226755 -0.0013123 -0.00143149 24
7044 98 C 37.5797 24.2608 37.7662 -0.00368306 -0.00113323 0.00165464 24
7045 99 C 37.0101 23.7076 39.1031 0.00421463 -0.00303733 0.00174608 24
7046 100 C 37.8359 24.007 40.3605 -0.00427948 0.00127329 -8.27135e-05 24
7047 101 C 37.1391 23.6187 41.6984 -0.00135083 0.00096382 0.000753939 24
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7049 103 C 37.0275 23.6915 44.243 -0.0014606 0.00503006 0.00144417 24
7050 104 C 37.4575 24.4359 45.5511 0.000925086 -0.00103269 -0.000957747 24
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7062 116 C 44.7112 28.6413 45.6057 0.00153831 -0.00164036 -0.00231337 24
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7070 124 C 45.2648 18.9382 40.8713 0.00199014 0.0016862 0.00494802 24
7071 125 C 44.8855 19.5921 42.2139 -0.00194838 -0.00123802 0.00133257 24
7072 126 C 45.8873 19.4579 43.3722 0.00243243 0.000591181 0.00102593 24
7073 127 C 45.2623 19.9736 44.68 -0.000282076 0.000243501 -0.00446648 24
7074 128 C 46.1784 19.8531 45.9054 -0.000776483 0.00545767 0.00589117 24
7075 129 C 45.3328 20.2582 47.1025 0.000612324 -0.00152323 -0.000487419 24
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7200 254 H 42.9314 28.0665 34.2578 -0.00249624 -0.000222291 -0.00210122 24
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7250 2 C 1.86728 33.9391 29.7271 -0.000358927 0.00338644 0.000547579 25
7251 3 C 1.3614 32.8731 29.023 0.00159853 0.00137386 -0.000435856 25
7252 4 C 0.746509 31.8026 29.7053 -0.00478806 0.000808709 -0.00207592 25
7253 5 C 0.524437 31.8744 31.1021 -0.00345293 0.00573284 -0.00238304 25
7254 6 C 0.954914 33.0189 31.7991 -0.000131477 -0.00276232 -0.000246186 25
7255 7 C -3.91745 30.4479 30.29 -0.000581255 -0.00598737 -0.00241154 25
7256 8 C -3.63177 30.3584 28.8979 -0.0031158 0.0035969 0.000638185 25
7257 9 C -2.30596 30.4583 28.4375 -0.00475764 0.00395873 -0.0011851 25
7258 10 C -1.27101 30.5994 29.3748 0.00207892 -0.00358175 0.00125584 25
7259 11 C -1.53883 30.6098 30.7647 0.00119272 0.00424477 0.000562706 25
7260 12 C -2.88761 30.6101 31.2628 -0.00117956 0.00691924 -0.00154961 25
7261 13 C 1.60388 27.2768 31.4479 -0.00412044 -0.00510297 0.00103168 25
7262 14 C 1.91577 27.3314 30.0753 0.000956014 -0.00501586 -0.00334562 25
7263 15 C 1.53786 28.3927 29.3319 0.00184733 -0.00420475 -0.0030768 25
7264 16 C 0.741725 29.3809 29.8634 -0.00224093 -0.00220219 0.00010446 25
7265 17 C 0.199785 30.578 29.051 0.00395571 -0.00369887 0.00429229 25
7266 18 O 0.435195 28.256 33.398 -0.00214203 0.00187856 0.00569025 25
7267 19 O -3.11023 30.8593 32.5913 -7.42118e-05 -0.00281809 -0.00406367 25
7268 20 O 0.6817 33.1318 33.1326 0.00100289 0.00260523 -0.00269249 25
7269 21 C 0.870859 28.3215 32.0999 -0.000420339 -0.000228942 -0.00317505 25
7270 22 C 0.541334 30.5292 27.6188 -0.00746501 -0.00282838 0.00251818 25
7271 23 C 1.1135 30.529 26.5497 -0.000662654 -0.00383662 0.00236602 25
7272 24 C 1.91831 30.5749 25.3891 -0.000417074 0.00142062 -0.000291884 25
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7274 26 C 2.40807 31.5263 23.2288 0.00231312 0.00246514 0.00356659 25
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7552 2 C 6.04471 40.7599 29.6284 0.000302724 -0.00453088 -0.00107701 26
7553 3 C 5.54936 39.6653 28.8935 0.000501435 0.00101957 -0.000545423 26
7554 4 C 4.88635 38.6097 29.546 -0.00374542 0.00276566 0.000497518 26
7555 5 C 4.64033 38.6671 30.9403 -0.00126845 0.00123699 0.00140375 26
7556 6 C 5.13703 39.7317 31.7068 0.000121349 -0.00133798 0.00455621 26
7557 7 C 0.285191 37.3691 30.0158 -0.00284737 0.00173351 0.000109584 26
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7564 14 C 6.17371 34.0921 29.9183 -0.00106716 -0.00308119 -0.000552183 26
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7578 28 C 7.03768 38.4515 23.2965 -0.00134263 -6.68935e-05 0.00210385 26
7579 29 C 6.15041 38.4828 24.3996 -0.00134253 0.00338288 0.00315148 26
7580 30 C 8.14877 37.274 21.5171 -0.00511813 0.000965967 3.35446e-05 26
7581 31 C 8.60963 37.3568 20.4102 0.00106415 -0.00165255 -0.00174796 26
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7588 38 C 8.92457 37.2817 18.9985 0.000955542 0.00119374 -0.000897644 26
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7593 43 C 10.3779 37.2762 18.5733 0.00378329 -0.000345231 0.0011654 26
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7600 50 C 8.4507 38.5731 18.2658 0.00286081 -0.00245134 0.00157163 26
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7606 56 C 4.71243 36.24 31.0474 -0.00136301 -0.00184712 -0.00195927 26
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7609 59 C 11.8592 36.0263 12.063 -0.00255591 0.00160643 -0.00279861 26
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7613 63 C 10.49 36.9177 7.18823 0.00151691 -0.00826412 -0.00150462 26
7614 64 C 10.932 35.7437 6.29395 0.00340576 -0.000233832 0.00338339 26
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7624 74 C 6.61572 34.0471 8.77433 -0.00132268 0.00212831 -0.00107986 26
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7627 77 C 7.28742 34.2935 4.89903 -0.00470662 -0.00550176 0.00296984 26
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7633 83 C 10.1383 40.2968 12.7037 0.00362097 -0.000734667 -0.00338505 26
7634 84 C 10.3687 39.7726 11.2622 0.00164734 -0.00430624 -0.000389552 26
7635 85 C 10.467 40.9522 10.2582 0.000916788 -0.00138037 0.00408742 26
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7645 95 C -0.168644 38.3813 34.2297 0.000718035 -0.000367541 0.00397888 26
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7647 97 C -0.932013 37.5732 36.5939 0.000682876 -0.00182322 -0.000727404 26
7648 98 C -2.0629 38.2513 37.4407 0.00268428 -0.000914684 0.00571943 26
7649 99 C -1.63827 38.3749 38.9376 -0.0018173 -9.10268e-05 -0.00188045 26
7650 100 C -1.45321 37.0198 39.6336 0.00501756 0.0026577 -0.00616238 26
7651 101 C -2.23751 36.9317 40.9683 -0.00380505 0.0014253 -0.00467323 26
7652 102 C -1.56339 37.6489 42.1615 0.000636426 -0.00491008 -0.000840584 26
7653 103 C -2.30226 37.2696 43.4613 -0.000237599 -0.00345718 0.0030563 26
7654 104 C -1.70621 37.9915 44.6637 0.00135927 -0.00153913 -0.000723062 26
7655 105 C -2.40233 37.5947 45.9378 0.000201285 -0.00318052 0.00154376 26
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7664 114 C 6.01993 42.5192 43.2718 -0.00378234 6.34293e-05 -9.85422e-05 26
7665 115 C 5.69293 41.6463 44.4954 0.000471139 -0.00105775 0.00206319 26
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8194 40 C 20.8141 37.4767 17.9721 -0.0008519 0.00350821 0.00262226 28
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8203 49 C 17.0988 37.4565 16.9357 -0.0012318 0.000739735 0.00109114 28
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8222 68 C 18.1635 37.2528 1.39016 0.00245975 0.001684 0.00402905 28
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8231 77 C 14.837 35.4482 5.43867 0.00606983 0.00219369 0.000792951 28
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8237 83 C 17.1063 39.6804 13.3172 -0.000473011 0.00466601 0.000877326 28
8238 84 C 18.2434 39.9704 12.3108 -0.00180557 0.000194979 7.65487e-06 28
8239 85 C 18.2548 41.449 11.8855 0.00027785 -5.16719e-05 0.0022183 28
8240 86 C 19.0755 41.7843 10.6189 0.000277544 -0.00275295 -0.00427543 28
8241 87 C 18.5048 41.2195 9.30243 -0.00311137 -0.00154231 0.00135885 28
8242 88 C 19.2128 41.7611 8.01788 -0.00203071 0.00177343 0.000821294 28
8243 89 C 18.3558 41.4219 6.75802 0.00118905 -0.00229939 1.34874e-05 28
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8245 91 C 18.2163 41.5644 4.22377 -0.00120497 -0.00210684 -0.00176663 28
8246 92 C 18.7411 42.2806 2.97505 0.00134982 0.00318183 -0.00237435 28
8247 93 C 18.4154 41.6144 1.624 0.00170394 -0.00179407 0.00293561 28
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8249 95 C 7.75634 37.9951 35.1697 -0.00230543 -0.00357084 -0.0010707 28
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8252 98 C 6.08841 37.4036 38.6334 0.00110165 -0.00665976 0.0029459 28
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8254 100 C 5.89601 37.1818 41.2104 0.000909383 -0.00133289 -0.00069944 28
8255 101 C 6.04145 37.8903 42.5712 0.000635298 -1.41694e-05 -0.000832346 28
8256 102 C 5.67083 36.9737 43.7645 -0.00235867 -0.00312402 0.00179399 28
8257 103 C 6.0337 37.5993 45.1095 -0.00709027 -0.001596 -0.00342121 28
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8259 105 C 6.68657 36.4058 47.3133 -0.000316549 -0.00221113 0.00313592 28
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8262 108 C 14.3049 41.5691 36.5254 -0.00334563 -0.00287293 -0.000120183 28
8263 109 C 13.7618 42.6747 37.4118 -0.00511568 0.00412957 -0.00389059 28
8264 110 C 14.4041 42.6692 38.7953 -0.00170523 0.00376787 -0.000295068 28
8265 111 C 14.0299 41.4868 39.6821 -0.00350335 -0.00382932 -0.00188414 28
8266 112 C 13.1701 41.8523 40.903 0.00106816 0.00176525 0.00618012 28
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8270 116 C 13.5548 42.6747 45.9661 -0.00284427 0.00320634 0.00166572 28
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8273 119 C 13.7224 33.0993 34.707 0.00230322 0.00276249 -7.94843e-05 28
8274 120 C 13.5097 33.0023 36.2481 -0.00176126 -0.00119646 0.00492247 28
8275 121 C 14.5449 32.1391 36.9975 -0.00296479 0.00392725 0.00460637 28
8276 122 C 14.2266 31.7974 38.4573 -0.00498286 -0.00162668 -0.000130608 28
8277 123 C 14.169 33.0613 39.3276 -0.0013013 0.00133317 -0.00206866 28
8278 124 C 14.1019 32.6705 40.7955 0.000702925 -0.0016937 0.00519991 28
8279 125 C 13.9899 33.9131 41.7668 -0.00373453 -0.000758881 -0.00374763 28
8280 126 C 14.168 33.4978 43.2519 0.000167819 -0.000959772 0.00355817 28
8281 127 C 14.2649 34.7092 44.2307 0.00509748 0.00158059 0.000473443 28
8282 128 C 14.4408 34.3693 45.7245 -0.00101639 -0.00184159 0.00188023 28
8283 129 C 13.3413 33.5015 46.3248 -0.000788174 -0.00191134 -0.00121551 28
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8404 250 H 6.7971 37.3153 47.9166 0.0144834 -0.00251373 0.000859474 28
8405 251 H 6.37488 35.6067 47.9972 -0.0234373 -5.7493e-05 -0.00494138 28
8406 252 H 7.67059 36.0524 46.9813 -0.00113398 0.00656811 -0.00850399 28
8407 253 H 14.0419 39.4155 35.3227 -0.00256309 0.000866763 -0.000300999 28
8408 254 H 14.847 40.2549 33.925 0.00755575 0.000780857 0.00533204 28
8409 255 H 13.7382 42.3306 34.488 0.00355222 0.00138329 -0.00138374 28
8410 256 H 12.4434 41.5418 35.3294 0.00239111 -0.00058299 0.00220477 28
8411 257 H 14.1965 40.5981 37.0243 -0.0142492 0.00848044 0.0195488 28
8412 258 H 15.3709 41.7338 36.3254 -0.00285439 -0.00412595 0.00147069 28
8413 259 H 13.9707 43.6312 36.9169 0.00349638 0.00658742 0.00447536 28
8414 260 H 12.6814 42.5138 37.5127 -0.00457901 0.00147096 -0.00233523 28
8415 261 H 15.4881 42.6503 38.6277 -0.00113534 -0.00878271 0.00482893 28
8416 262 H 14.1857 43.6059 39.3227 0.0053843 0.00632732 -0.00189777 28
8417 263 H 13.4775 40.7419 39.0961 -0.00329902 -0.00470952 -0.000957142 28
8418 264 H 14.9428 40.9991 40.0457 -0.00397335 -0.00911647 -0.00780851 28
8419 265 H 12.4483 42.6401 40.6545 0.00213449 0.00323234 0.00773026 28
8420 266 H 12.6043 40.968 41.2214 0.00029173 -0.000930344 -0.00270901 28
8421 267 H 14.8965 41.6349 42.1897 -0.00271213 -0.00346138 -0.00975758 28
8422 268 H 14.4696 43.248 41.8672 -0.0036906 0.00251062 -0.00945638 28
8423 269 H 12.5169 43.0573 43.4062 2.32973e-05 0.00124457 -0.00424714 28
8424 270 H 12.7727 41.352 43.7225 0.00609966 -0.0042573 -0.00422697 28
8425 271 H 15.0466 41.8752 44.6272 -0.00161817 0.00160535 -0.00334759 28
8426 272 H 14.6951 43.6011 44.3505 -0.0107836 0.00536726 -0.00514818 28
8427 273 H 12.8259 43.4902 46.0504 -0.00589809 0.00022444 0.00414295 28
8428 274 H 12.9718 41.7722 46.1874 0.00218715 -0.00205316 -0.00659987 28
8429 275 H 15.0851 43.7886 47.0141 -0.00108815 0.000757205 0.0106222 28
8430 276 H 14.1108 42.7088 48.0438 0.00493907 0.00744238 0.00607577 28
8431 277 H 15.3598 42.0061 47.0084 0.00200694 0.00547655 0.0145937 28
8432 278 H 11.5889 33.3499 34.569 0.00106052 -0.00331896 0.0072061 28
8433 279 H 12.2845 32.7598 33.1427 0.00120375 0.00647334 -0.00276731 28
8434 280 H 14.5602 33.7825 34.521 6.93786e-05 0.00401665 -0.0054618 28
8435 281 H 14.1148 32.1324 34.3685 -0.0143288 -0.00692272 0.00837572 28
8436 282 H 12.523 32.6136 36.5288 -0.00717103 0.0019176 -0.00987822 28
8437 283 H 13.5121 34.002 36.6997 -0.000775753 -0.00146359 0.00551049 28
8438 284 H 15.542 32.5958 36.9711 0.00299517 -0.00900429 0.00530453 28
8439 285 H 14.7051 31.1862 36.4782 -0.00312092 0.0127406 -0.0115871 28
8440 286 H 15.0399 31.1937 38.8786 0.000785594 0.00490169 -0.00187065 28
8441 287 H 13.2669 31.2666 38.4831 -0.00501437 -0.0016448 -0.00161915 28
8442 288 H 13.3285 33.6971 39.0232 0.000454216 -0.0012845 -0.012424 28
8443 289 H 15.1006 33.6132 39.1519 0.00678932 -0.00995691 0.00530431 28
8444 290 H 14.9818 32.0684 41.0537 0.00150317 -0.00089499 0.00433573 28
8445 291 H 13.2071 32.0649 40.9851 -0.00896664 0.0108865 -0.00015199 28
8446 292 H 13.009 34.3909 41.653 -0.000945679 0.00685776 0.00431125 28
8447 293 H 14.8514 34.5406 41.5069 -0.00169121 0.00254173 0.0110196 28
8448 294 H 15.0407 32.8502 43.4016 -3.41448e-05 -0.000651318 0.00608964 28
8449 295 H 13.2911 32.9001 43.5297 -0.00175451 0.00436672 0.0089687 28
8450 296 H 13.3289 35.2687 44.1108 0.0126251 0.0111394 -0.0135895 28
8451 297 H 15.0664 35.3689 43.8761 0.00840328 0.00022775 0.00545666 28
8452 298 H 14.5546 35.2614 46.3527 -0.0188292 0.00716099 -0.00768082 28
8453 299 H 15.3672 33.7832 45.7642 0.00229883 0.00348115 0.00293418 28
8454 300 H 12.4223 34.0622 46.5355 -0.0033039 -0.00474414 -0.00465495 28
8455 301 H 13.7469 33.1741 47.2901 -0.00986272 0.00169931 0.00381112 28
8456 302 H 13.1253 32.6198 45.709 0.0100328 -0.00457369 -0.00119969 28
8457 1 C 17.4285 33.8682 31.2633 0.00253929 -0.00338349 0.00315353 29
8458 2 C 17.4504 33.7949 29.9014 0.00313823 0.00217311 0.00116344 29
8459 3 C 16.9297 32.7076 29.2361 -0.00329259 -0.0015238 0.000475561 29
8460 4 C 16.3806 31.6299 29.9346 -0.000798522 -0.00262539 -0.00393702 29
8461 5 C 16.2422 31.7443 31.3482 -0.00188988 -0.0027279 -0.00446601 29
8462 6 C 16.7742 32.8837 32.0026 0.00184515 0.000170481 0.00195419 29
8463 7 C 11.7937 30.2404 30.8625 0.00465295 -0.000529537 0.00210901 29
8464 8 C 11.8889 30.2014 29.4625 -0.00196821 0.00170056 0.00114552 29
8465 9 C 13.1806 30.2863 28.9099 0.000445016 0.0021536 -0.00135245 29
8466 10 C 14.2995 30.3911 29.7459 -0.00246518 -0.00185714 -0.00291079 29
8467 11 C 14.183 30.4687 31.169 -0.00354719 0.00437537 -0.000599867 29
8468 12 C 12.8961 30.3595 31.7498 -0.00366827 0.00533735 0.00332797 29
8469 13 C 17.4345 27.1185 31.5358 0.00119756 8.67916e-05 -0.00108802 29
8470 14 C 17.514 27.1081 30.132 -0.00186953 0.00194466 -0.00125447 29
8471 15 C 16.9143 28.0945 29.3832 -0.0030838 0.00105858 -0.00487088 29
8472 16 C 16.3717 29.2032 30.0196 0.00209312 0.00334676 -0.00069849 29
8473 17 C 15.7272 30.3757 29.2955 -0.000698046 0.00253268 -0.00326817 29
8474 18 O 16.7423 28.1295 33.5755 0.00349495 -0.000623253 0.00170643 29
8475 19 O 12.6391 30.3798 33.1117 -0.000979067 0.0019704 0.00690537 29
8476 20 O 16.6843 32.9893 33.4036 -0.00323417 -0.00238051 0.00177734 29
8477 21 C 16.8372 28.1872 32.2129 0.000214759 -0.00281253 0.000144352 29
8478 22 C 15.9938 30.3297 27.8605 -0.000903848 -0.00327659 0.0016326 29
8479 23 C 16.4688 30.3358 26.7267 0.00234317 -0.00139289 0.00170077 29
8480 24 C 17.251 30.4031 25.5684 0.00105722 -0.00410518 -0.00306557 29
8481 25 C 16.9863 31.3859 24.5655 -0.00328122 0.00125734 -0.00298772 29
8482 26 C 17.8688 31.5589 23.5282 0.00150684 0.00129878 -0.00157148 29
8483 27 C 19.0977 30.8548 23.5028 0.000477806 -0.000649922 -0.00574947 29
8484 28 C 19.3776 29.9471 24.5212 -0.000135894 -0.00126581 -0.000149399 29
8485 29 C 18.4921 29.7435 25.5966 0.000278056 -0.000659872 0.0055556 29
8486 30 C 19.9597 30.9624 22.4186 -0.00013424 -0.00459301 0.000475695 29
8487 31 C 20.4879 30.9471 21.3213 0.00145062 0.00582325 -0.00229988 29
8488 32 C 19.1367 27.3907 19.3078 0.00463981 -0.000757547 -0.00582375 29
8489 33 C 19.4266 27.2766 17.9578 0.00161082 -0.000524582 0.00435458 29
8490 34 C 20.1154 28.2703 17.26 0.00182637 0.00162937 -0.00533166 29
8491 35 C 20.4296 29.4638 17.91 0.000410844 -0.000344565 0.00260883 29
8492 36 C 20.1731 29.5956 19.2856 0.00312656 0.00260892 -0.00230854 29
8493 37 C 19.5114 28.5471 19.9659 -0.00137796 -0.00118277 0.00182942 29
8494 38 C 20.8036 30.8515 19.9101 -0.00233082 -0.00287177 0.0019564 29
8495 39 C 24.6839 30.4984 19.7543 0.00398041 -0.00284508 -0.00542162 29
8496 40 C 24.8711 30.6321 18.3775 -0.00010437 -0.000121172 -0.00238601 29
8497 41 C 23.7612 30.7819 17.5103 -0.00218613 -0.00286417 -0.000855746 29
8498 42 C 22.4731 30.7813 18.0506 0.00452871 0.0012632 0.00135287 29
8499 43 C 22.3 30.7944 19.4595 0.00534757 0.000429351 -0.00411909 29
8500 44 C 23.3887 30.6614 20.3088 -0.000324206 0.00111455 0.000202933 29
8501 45 C 18.8551 34.0017 18.7899 -0.00107197 -0.00258557 -0.000612589 29
8502 46 C 19.0229 33.889 17.3953 -0.00287586 -0.000307781 0.00266782 29
8503 47 C 19.7934 32.8447 16.8734 0.000922064 -0.00127225 0.00214242 29
8504 48 C 20.3829 31.9326 17.742 0.0015029 0.00427864 0.00438421 29
8505 49 C 21.1538 30.6776 17.3004 -0.000278893 -0.00205237 0.000917335 29
8506 50 C 20.1789 32.0114 19.1362 -0.00154543 0.00167527 -1.26484e-05 29
8507 51 C 19.4911 33.1221 19.655 -0.000955661 -0.00499607 -0.00116454 29
8508 52 O 23.9232 30.8894 16.1499 0.00100414 0.000232948 0.000895678 29
8509 53 O 20.5617 28.0482 15.9798 2.40004e-05 0.00167881 -0.000312496 29
8510 54 O 19.9984 32.7888 15.5417 -0.00407456 0.00176968 0.000380327 29
8511 55 C 15.4982 30.5393 31.9475 0.000462582 -0.00255523 -0.0017382 29
8512 56 C 16.2979 29.2737 31.4347 0.00510109 -0.00176593 0.00111094 29
8513 57 C 23.5603 29.8305 15.2322 -0.00510341 0.000638479 -0.00841845 29
8514 58 C 23.3314 30.5378 13.8592 0.000503839 -0.00626923 -0.00478983 29
8515 59 C 22.656 29.737 12.7687 0.00238249 0.000650044 -0.00161168 29
8516 60 C 22.5732 30.5276 11.4617 0.0041052 0.0010012 0.000621991 29
8517 61 C 22.0747 29.7621 10.1866 5.61917e-05 0.000525039 0.0012366 29
8518 62 C 22.0184 30.7205 9.00014 8.58478e-05 -0.00324377 -0.00292534 29
8519 63 C 21.6571 30.1354 7.6278 0.0038405 0.00138642 -0.00024338 29
8520 64 C 22.868 29.8534 6.71859 0.00393066 -0.00156507 -0.00135991 29
8521 65 C 22.7196 30.2577 5.22841 0.00389263 -0.00329248 0.000560659 29
8522 66 C 21.5544 29.654 4.45279 0.00421604 0.00312656 0.000253246 29
8523 67 C 21.6678 29.9462 2.90561 -1.29487e-06 -0.00162955 -0.000817124 29
8524 68 C 20.5643 29.216 2.14568 -0.00181423 0.000865867 -0.00581568 29
8525 69 F 17.5419 32.4554 22.5841 -9.88965e-05 -0.000518297 -0.000911835 29
8526 70 C 21.0185 26.7683 15.5789 -0.00293792 -0.00386114 0.0022871 29
8527 71 C 21.7031 26.8382 14.1889 -0.00300722 -0.00389134 -0.000460747 29
8528 72 C 21.9845 25.4145 13.6488 0.00172727 -0.000668659 0.00193424 29
8529 73 C 22.5069 25.3155 12.2346 0.00108148 -0.00363414 -0.00513826 29
8530 74 C 21.7274 26.0267 11.1012 0.00330764 -0.00364479 -6.25152e-05 29
8531 75 C 22.2384 25.4242 9.73771 0.00109988 -0.000261864 0.00177983 29
8532 76 C 21.7625 26.1437 8.4075 -7.27513e-05 -0.00166755 0.00255733 29
8533 77 C 22.3186 25.3882 7.16286 0.00207839 0.00144631 0.00158389 29
8534 78 C 22.0024 26.1084 5.86021 0.00255504 0.00650563 -0.0032801 29
8535 79 C 22.5457 25.4262 4.58643 -0.0029688 -0.00164955 2.25382e-05 29
8536 80 C 22.4913 26.3553 3.32273 -0.00303204 -0.00193996 0.00092159 29
8537 81 C 23.2027 25.6991 2.11037 0.000232254 -0.00330276 -0.00262851 29
8538 82 C 18.93 32.0799 14.8713 0.00211326 -0.000693468 -7.39964e-05 29
8539 83 C 19.4304 31.5539 13.501 -0.000189377 -0.000151597 -0.000422717 29
8540 84 C 19.0405 32.4666 12.3204 0.000263817 0.000699377 0.00453164 29
8541 85 C 18.7121 31.7484 10.9694 0.00255489 -5.38919e-05 0.00138375 29
8542 86 C 18.5654 32.7562 9.80817 -0.00166525 0.00325385 0.000767949 29
8543 87 C 18.4061 32.1646 8.392 0.00286443 -9.81481e-05 -0.00298747 29
8544 88 C 18.4333 33.2362 7.30556 -0.000929027 -0.000737654 -0.00221989 29
8545 89 C 18.8546 32.8529 5.85439 0.0011936 0.00293681 -0.000311483 29
8546 90 C 17.8277 32.073 4.9686 -0.00149162 0.000418136 0.00335441 29
8547 91 C 18.3786 31.976 3.54768 0.00216937 -0.00555366 -0.000529237 29
8548 92 C 17.4686 31.2751 2.58569 0.000140364 0.00163243 0.00305549 29
8549 93 C 16.2379 32.1224 2.10148 -0.00500007 -0.00234023 -0.00388885 29
8550 94 C 11.2576 30.22 33.5947 -0.000802046 -0.00239992 -0.00175058 29
8551 95 C 11.0836 30.3169 35.076 -0.000375945 -0.000880356 -0.00058815 29
8552 96 C 9.72763 30.8671 35.5715 -0.00158719 -0.00838907 -0.00098961 29
8553 97 C 9.7526 31.5204 36.9752 0.00416065 0.000277208 -0.000368551 29
8554 98 C 10.0466 30.5409 38.1165 0.000284821 0.0043067 -0.000790289 29
8555 99 C 10.3 31.3485 39.4151 -0.000512333 0.000935924 -0.00214107 29
8556 100 C 10.5141 30.5433 40.7225 0.000193333 0.000276272 -0.000718957 29
8557 101 C 10.5601 31.5058 41.9433 -0.00148545 8.54724e-05 0.00060507 29
8558 102 C 10.5336 30.831 43.3281 -0.000627445 -0.00332084 -0.00449825 29
8559 103 C 10.3934 31.8329 44.5238 -0.00302033 -0.00119901 -0.00186832 29
8560 104 C 10.3438 31.1526 45.8862 0.00173633 -0.000520654 -0.00303971 29
8561 105 C 9.95735 32.12 46.9929 0.000870355 0.00219495 0.00302209 29
8562 106 C 17.289 34.1673 34.0456 0.000904067 0.00126089 0.00195014 29
8563 107 C 17.2636 34.1608 35.5956 0.000166521 0.0016931 -0.00229604 29
8564 108 C 18.0637 35.3453 36.2007 0.000933607 0.00083791 0.0002022 29
8565 109 C 17.6167 35.497 37.651 0.0007208 -0.00128738 0.000477336 29
8566 110 C 18.6914 36.249 38.4751 -0.00229903 0.00254517 -0.00228628 29
8567 111 C 18.249 36.5776 39.9152 0.000491071 0.00181049 0.00454384 29
8568 112 C 18.0516 35.3742 40.836 -0.00167963 0.00216253 0.00427774 29
8569 113 C 17.8507 35.9036 42.2516 0.00531242 0.00220749 -0.00150104 29
8570 114 C 17.8605 34.7865 43.2789 0.00243695 -0.000147855 0.00467124 29
8571 115 C 18.1102 35.3096 44.7094 0.000890247 0.00092651 -0.000535087 29
8572 116 C 18.3559 34.1014 45.6632 -0.00161104 0.00143443 0.0031637 29
8573 117 C 18.554 34.6136 47.0884 0.000580222 0.000737311 0.00374227 29
8574 118 C 17.0826 26.877 34.292 0.00126756 -0.00503089 -0.00110555 29
8575 119 C 17.0419 26.99 35.8719 -0.00295511 -0.000538852 0.00165243 29
8576 120 C 17.7118 25.8892 36.6329 0.000497761 -0.000882029 0.00282501 29
8577 121 C 17.676 25.9176 38.1799 -0.000631119 0.00499458 0.00507601 29
8578 122 C 17.7408 27.2551 38.927 -0.00307764 -0.00208801 2.25059e-05 29
8579 123 C 17.462 27.178 40.4335 0.00108777 -0.000979241 0.00486303 29
8580 124 C 18.4407 26.2213 41.2112 0.000180958 -0.00174451 -9.21524e-05 29
8581 125 C 18.7294 26.548 42.6944 -0.00259067 0.0016257 -0.000237679 29
8582 126 C 17.6273 26.2275 43.7296 -0.00027373 0.00289921 -0.000268634 29
8583 127 C 18.2478 26.3077 45.1531 0.00174511 -6.76144e-05 0.00242354 29
8584 128 C 17.3464 25.7523 46.2924 -0.00139446 0.00350998 0.000203931 29
8585 129 C 16.3511 26.8308 46.7659 -0.00119235 -0.000722413 -0.000790695 29
8586 130 F 15.8258 32.0812 24.522 -0.00101745 0.000858941 -0.0013975 29
8587 131 H 17.8363 34.7707 31.709 0.0212459 -0.00912608 -0.00237207 29
8588 132 H 17.9255 34.5604 29.295 0.00223203 0.000640975 -0.00148968 29
8589 133 H 17.0582 32.6597 28.1588 -0.0103396 -0.00672109 -0.000132868 29
8590 134 H 10.7983 30.0799 31.266 0.0105815 0.00701555 0.0197944 29
8591 135 H 11.0335 29.9952 28.826 0.00397019 -0.0105038 -0.0029201 29
8592 136 H 13.2959 30.2922 27.8301 -0.00569234 -0.0101675 -0.00206231 29
8593 137 H 17.8667 26.2599 32.0411 0.0120583 0.00491689 -0.00216167 29
8594 138 H 17.9511 26.2435 29.6414 -0.00113752 0.00194 -0.000595156 29
8595 139 H 16.8972 27.9578 28.306 0.00479149 0.000948902 -0.00498196 29
8596 140 H 20.3256 29.4175 24.5086 -0.00304347 -0.0058194 -0.0269104 29
8597 141 H 18.7408 29.1108 26.4435 0.00239936 -0.0201376 -0.00964999 29
8598 142 H 18.6225 26.5943 19.8377 0.0179189 -0.00489174 0.000842236 29
8599 143 H 19.1405 26.364 17.4433 -0.00847178 0.00518901 -0.000187432 29
8600 144 H 19.33 28.6036 21.0351 -0.00152942 0.00455278 0.00150099 29
8601 145 H 25.5254 30.2988 20.4112 -0.00149687 -0.00780363 0.000102072 29
8602 146 H 25.8701 30.529 17.9641 0.00288488 0.00314079 0.00402019 29
8603 147 H 23.3171 30.6565 21.3924 -0.00343725 -0.00919066 -6.26404e-05 29
8604 148 H 18.2827 34.8181 19.2204 -0.00590208 -0.00517714 -0.00212815 29
8605 149 H 18.515 34.6161 16.7687 -0.00917812 -0.00588452 0.00130399 29
8606 150 H 21.2425 30.6164 16.2087 -0.00152274 0.00425049 0.000468027 29
8607 151 H 19.3597 33.2617 20.7239 0.000367695 0.00334875 -0.00209293 29
8608 152 H 15.3219 30.5978 33.0287 0.000605912 -0.00644894 -0.00150514 29
8609 153 H 24.3563 29.077 15.1876 -0.0034182 0.00208102 -0.00277066 29
8610 154 H 22.6206 29.3787 15.5731 0.000972407 0.00129492 0.00923816 29
8611 155 H 24.3128 30.8472 13.479 0.00403566 -0.00229923 0.00754222 29
8612 156 H 22.7205 31.4347 14.0197 0.00562682 0.000135025 -0.0211002 29
8613 157 H 21.6426 29.465 13.0886 0.00184223 -0.0117427 -0.0138272 29
8614 158 H 23.1764 28.783 12.6185 0.00363198 0.0018434 -0.0048288 29
8615 159 H 23.5561 30.9582 11.2339 -0.000627476 0.00325292 -0.0155915 29
8616 160 H 21.8725 31.3616 11.5916 -0.0127501 -0.0136182 0.00364676 29
8617 161 H 21.0496 29.4151 10.366 0.00498516 -0.0179594 -0.0065195 29
8618 162 H 22.721 28.9106 9.94039 0.00054997 -0.000434619 0.00585796 29
8619 163 H 22.9856 31.2216 8.87062 -0.00216525 0.00181236 -4.55981e-05 29
8620 164 H 21.218 31.4151 9.28358 -0.00426675 -0.0103848 0.0023746 29
8621 165 H 21.0695 30.9234 7.14073 -0.00705171 -0.000212322 0.0102894 29
8622 166 H 20.9834 29.2779 7.74711 0.0167455 -0.00590032 0.0202542 29
8623 167 H 23.2074 28.8164 6.83227 0.00548803 -0.00277614 -0.0170626 29
8624 168 H 23.7322 30.4321 7.06745 -0.00283932 -0.00268784 0.017239 29
8625 169 H 23.7041 30.1018 4.77026 -0.00598578 -0.00664622 -0.0193636 29
8626 170 H 22.6744 31.352 5.16628 0.0114029 -0.0028855 0.00193335 29
8627 171 H 20.5689 29.9961 4.79212 0.00577666 0.00245323 0.00543029 29
8628 172 H 21.4549 28.5712 4.59845 -0.000662351 0.00449678 0.00712683 29
8629 173 H 22.6379 29.5497 2.58144 -0.00927075 -0.0152185 -0.0119206 29
8630 174 H 21.6385 31.0189 2.67788 0.0071897 -0.00397804 -0.0128142 29
8631 175 H 19.5854 29.5563 2.5054 0.00906482 0.013466 0.0117985 29
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8637 181 H 22.6126 27.4502 14.2307 0.000645518 -0.0101659 0.0117365 29
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8647 191 H 22.1365 27.1736 8.35474 0.0118152 -0.00610939 4.03272e-05 29
8648 192 H 23.4107 25.2866 7.18369 0.00320094 0.012261 -0.00400476 29
8649 193 H 21.9008 24.3739 7.15175 0.0133746 -0.00335763 0.0144359 29
8650 194 H 20.91 26.1686 5.78038 0.00230265 0.00846933 0.00170135 29
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8664 208 H 19.894 33.1134 12.0824 -0.00153697 -0.000313227 -0.00476177 29
8665 209 H 19.5068 31.0463 10.6886 -0.00268346 -0.00388737 -0.00386902 29
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8667 211 H 17.6848 33.3847 9.98948 0.000154151 0.00760897 -0.00548713 29
8668 212 H 19.467 33.3811 9.81182 0.00334018 -0.0039854 0.00662558 29
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8675 219 H 17.7111 31.072 5.40197 -0.00835423 -0.0128882 -0.0293526 29
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8677 221 H 18.5709 32.9656 3.11495 0.0108663 0.000516495 0.0172699 29
8678 222 H 19.3558 31.4777 3.54064 0.00711656 0.0041204 0.00125338 29
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8680 224 H 17.0903 30.3439 3.02521 -0.0108923 0.00396443 -0.00147244 29
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8688 232 H 9.36841 31.6024 34.841 -0.00213217 -0.000872315 0.00685711 29
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8690 234 H 10.4563 32.3619 36.9619 0.000532712 0.00319111 -0.00841621 29
8691 235 H 8.7973 32.0066 37.2086 0.00394966 0.00708198 -0.0154518 29
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8695 239 H 9.46683 32.0443 39.5731 0.0126281 0.0131136 0.0135614 29
8696 240 H 9.66256 29.8736 40.8948 -0.00784081 0.0073946 -0.0128015 29
8697 241 H 11.4186 29.9312 40.6194 0.00270504 0.000896513 0.0178782 29
8698 242 H 11.3809 32.233 41.9135 0.0024435 -0.00424973 0.00326388 29
8699 243 H 9.6884 32.1695 41.8888 0.00529999 0.0102201 0.0152067 29
8700 244 H 9.68283 30.1387 43.3442 -0.00021021 -0.00334452 0.0157651 29
8701 245 H 11.4362 30.2137 43.4158 -0.00141208 -0.00572448 -0.0132527 29
8702 246 H 11.2301 32.5423 44.5231 0.00535964 -0.0110701 -0.00442473 29
8703 247 H 9.45136 32.3879 44.4349 0.00157365 0.00775918 0.00536093 29
8704 248 H 9.60818 30.3394 45.8555 -0.00350574 0.00378093 0.00861243 29
8705 249 H 11.3545 30.7797 46.0932 0.00281477 0.00423215 0.000290858 29
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8707 251 H 10.6325 32.9839 47.0292 -0.00126404 0.00402547 -0.000767085 29
8708 252 H 8.93096 32.5038 46.9411 0.000739311 0.00392121 0.0178257 29
8709 253 H 18.336 34.207 33.7207 0.00373822 -0.00506445 0.0102648 29
8710 254 H 16.7584 35.064 33.7024 -0.0132151 -0.0105355 -0.00706579 29
8711 255 H 16.2188 34.1966 35.9278 -0.00231464 0.012871 -0.0113202 29
8712 256 H 17.7162 33.2453 35.9961 -0.00320999 0.00676171 0.0130176 29
8713 257 H 19.14 35.1341 36.1797 -0.000957536 -0.00658342 -0.0223068 29
8714 258 H 17.9451 36.2909 35.6574 -0.0265668 -0.00214925 0.0010293 29
8715 259 H 16.7128 36.1173 37.6907 0.000456024 -0.00223756 0.00935378 29
8716 260 H 17.3766 34.5106 38.0667 -0.00323933 -0.00415416 -0.00857803 29
8717 261 H 19.5608 35.5809 38.5114 -0.00986996 -0.00769607 -0.00898954 29
8718 262 H 18.9686 37.1568 37.9252 0.00651133 -0.00768685 -0.0147625 29
8719 263 H 19.0699 37.158 40.354 -0.00295312 0.00762625 0.00327674 29
8720 264 H 17.3417 37.1931 39.8777 -0.00315088 -0.00422078 -0.00663384 29
8721 265 H 17.1539 34.8366 40.5066 0.00361491 0.000827438 -0.00798604 29
8722 266 H 18.8873 34.664 40.8114 -0.0149675 -0.0131544 -0.00562722 29
8723 267 H 18.5812 36.6622 42.5588 0.0158876 -0.00572542 -0.00715428 29
8724 268 H 16.8888 36.4308 42.2369 0.00541999 0.00239882 -0.00170702 29
8725 269 H 16.9306 34.2068 43.2276 0.009025 -0.00925672 -0.0121261 29
8726 270 H 18.6145 34.0502 42.9743 0.0024969 0.00853544 -0.0162431 29
8727 271 H 18.9858 35.9626 44.8115 0.00123338 0.000599381 -0.00140562 29
8728 272 H 17.2341 35.883 45.0364 0.00261646 -0.0108696 0.0247799 29
8729 273 H 17.4873 33.4323 45.6275 -0.00196899 0.00262276 -0.0104471 29
8730 274 H 19.2383 33.5359 45.339 -0.00305092 0.0043498 -0.00584691 29
8731 275 H 18.8128 33.778 47.7505 0.00381551 -0.00381388 -0.00326436 29
8732 276 H 19.4087 35.296 47.1727 -0.0048736 0.00682025 0.00978324 29
8733 277 H 17.6563 35.108 47.4797 0.00111786 0.000667086 0.00506713 29
8734 278 H 16.3848 26.1016 33.9526 0.00318861 -0.00636869 -0.00199874 29
8735 279 H 18.0874 26.4912 34.0797 0.00799576 0.00996815 0.00352916 29
8736 280 H 15.9831 26.9785 36.1587 -0.0057675 -0.000736252 -0.00868955 29
8737 281 H 17.5088 27.9352 36.1754 0.00963141 -0.00550645 -0.00221309 29
8738 282 H 18.7622 25.7558 36.3461 0.00240908 0.00318262 0.00794429 29
8739 283 H 17.2924 24.9272 36.3132 -0.0154057 0.00732402 -0.00091417 29
8740 284 H 18.5259 25.3281 38.5452 -0.0104884 -0.0140082 -0.00272068 29
8741 285 H 16.7845 25.3968 38.5506 0.00337801 -0.00423147 0.0017385 29
8742 286 H 17.0308 27.9631 38.4821 -0.00248199 0.00726489 0.0139638 29
8743 287 H 18.7297 27.6986 38.7571 -0.00208641 -0.0076421 -0.00874253 29
8744 288 H 16.4284 26.8723 40.6376 -0.00215615 0.00689977 0.000218316 29
8745 289 H 17.5381 28.1877 40.8555 -0.00107111 0.00324131 -0.00485903 29
8746 290 H 19.4061 26.4116 40.7262 0.0056866 0.002085 0.012357 29
8747 291 H 18.219 25.1557 41.0745 0.0153165 -0.00449147 -0.00334842 29
8748 292 H 19.0076 27.6077 42.7512 -0.00987677 0.00381323 -0.0051161 29
8749 293 H 19.5735 25.9209 43.0068 -0.0051707 -0.00249402 -0.00150221 29
8750 294 H 17.3179 25.1853 43.5824 0.0178782 -0.000338926 -0.0154178 29
8751 295 H 16.7277 26.8474 43.6304 -0.00458343 -0.00233831 0.00597413 29
8752 296 H 18.538 27.3368 45.3985 0.00151449 0.00401336 -0.0144694 29
8753 297 H 19.1964 25.7569 45.159 -0.0025584 -0.00747345 0.00189166 29
8754 298 H 17.9764 25.416 47.1251 -0.00826674 0.00897659 0.00761095 29
8755 299 H 16.7535 24.9425 45.8495 0.0064075 0.00813906 -0.0188434 29
8756 300 H 15.6837 26.3944 47.5193 0.00556184 -0.0122066 -0.0014499 29
8757 301 H 15.6882 27.0965 45.9331 0.00967155 -0.00324873 -0.0102323 29
8758 302 H 16.831 27.7466 47.1325 0.00403817 0.0019 -0.014174 29
8759 1 C 21.3214 40.7134 31.5082 0.00090753 0.00254282 0.00256768 30
8760 2 C 21.4955 40.6115 30.1245 0.000992237 -0.00272314 -0.00200684 30
8761 3 C 20.9894 39.4776 29.4963 -0.00306674 0.00233555 -0.000737831 30
8762 4 C 20.3798 38.458 30.2104 -9.26049e-05 0.00112451 -0.00186618 30
8763 5 C 20.223 38.5717 31.5933 0.00630106 0.00100769 -0.00141264 30
8764 6 C 20.7083 39.7055 32.2852 -2.34592e-05 0.00434175 -0.00164805 30
8765 7 C 15.7381 37.3371 30.9438 0.00137534 0.0041166 -0.000946617 30
8766 8 C 15.9384 37.2917 29.5447 0.00130427 0.00174591 -0.00127219 30
8767 9 C 17.2372 37.2346 29.0395 0.000265143 0.00222735 0.001876 30
8768 10 C 18.3068 37.2244 29.9402 -0.00200028 -0.00162286 -0.000679537 30
8769 11 C 18.1219 37.2972 31.3841 -0.000146149 -0.0030987 -0.000924796 30
8770 12 C 16.7997 37.36 31.8734 0.00272031 0.000740156 -0.0021866 30
8771 13 C 21.464 33.9545 31.7664 0.00164767 -0.00200743 0.00286092 30
8772 14 C 21.5471 33.9232 30.3744 -0.00100724 -0.000877654 -0.00170705 30
8773 15 C 20.9881 34.9478 29.6166 -0.00224555 0.000423989 0.00676205 30
8774 16 C 20.331 35.9833 30.2623 -0.000958892 -0.00185002 -0.000178018 30
8775 17 C 19.7702 37.2078 29.5151 0.00247138 -0.000366603 -0.0025011 30
8776 18 O 20.7103 34.9021 33.844 -0.00446707 -0.000538978 0.00309045 30
8777 19 O 16.585 37.3511 33.2133 0.00232669 -0.000546365 0.00160601 30
8778 20 O 20.6297 39.8316 33.6437 -0.000524394 -0.00440128 -0.00313439 30
8779 21 C 20.7919 34.9852 32.4613 0.000580659 -0.00663165 -0.00273877 30
8780 22 C 20.1086 37.127 28.0945 0.000410129 0.000794977 0.000323971 30
8781 23 C 20.5797 37.0908 26.9771 -0.00137406 0.000657615 -0.00568959 30
8782 24 C 21.3301 37.1644 25.7695 0.00382053 -0.00272015 0.0022165 30
8783 25 C 20.9997 38.0834 24.7604 0.00675015 -0.00358441 0.000378784 30
8784 26 C 21.8986 38.245 23.625 -0.00091299 -0.00175561 0.00312718 30
8785 27 C 23.0367 37.4368 23.467 -0.00157705 0.00199103 0.0022796 30
8786 28 C 23.2763 36.4718 24.4287 0.00198766 -0.00252221 0.00329156 30
8787 29 C 22.4713 36.3699 25.6075 0.00012626 0.00556848 -0.00781245 30
8788 30 C 23.8173 37.4881 22.2631 0.0036758 -0.00107789 0.000340327 30
8789 31 C 24.3479 37.5248 21.1835 -0.00330537 2.47496e-05 0.00127721 30
8790 32 C 22.6751 34.3109 18.744 0.000611599 0.00234428 0.0017018 30
8791 33 C 22.8965 34.3168 17.3459 -0.000162301 0.000426081 -0.00100175 30
8792 34 C 23.6339 35.3934 16.7883 0.0019177 0.00579967 0.00107177 30
8793 35 C 24.1427 36.3911 17.6224 0.000719857 0.00182378 -0.00236277 30
8794 36 C 23.9315 36.372 19.0005 -0.00196753 -0.00295478 0.000582681 30
8795 37 C 23.1912 35.3277 19.5467 -0.00163442 0.0018499 0.00123164 30
8796 38 C 24.6608 37.5265 19.7571 -0.00298181 -0.00385018 -0.00168894 30
8797 39 C 28.5487 37.5329 19.4766 0.000106609 0.00897095 0.00143387 30
8798 40 C 28.694 37.4562 18.0871 0.00342908 -0.00364857 0.000643203 30
8799 41 C 27.553 37.377 17.2654 -0.00158509 -0.00333809 -0.00540015 30
8800 42 C 26.303 37.4381 17.8678 -0.00285378 -0.00160602 -0.000664456 30
8801 43 C 26.1489 37.4148 19.2698 0.00353662 -0.00426065 0.00144132 30
8802 44 C 27.3106 37.4188 20.0548 -0.00195911 -0.00098603 0.00112686 30
8803 45 C 23.0951 40.9938 18.9792 -0.00044575 -0.00223509 -0.00169126 30
8804 46 C 23.2533 40.989 17.5973 0.00253394 0.00173377 -0.000520164 30
8805 47 C 23.9092 39.9157 16.9172 0.00117639 -0.0017271 -0.00632498 30
8806 48 C 24.3021 38.7876 17.6632 4.19095e-06 -0.000289343 -0.00181381 30
8807 49 C 24.9971 37.5355 17.1054 -0.00422357 0.00322354 0.00178842 30
8808 50 C 24.1408 38.7966 19.0578 -0.00012094 0.0050378 -0.00228056 30
8809 51 C 23.6082 39.9176 19.697 -0.0015355 -0.00258693 -0.000515051 30
8810 52 O 27.6971 37.405 15.9169 0.0034913 -0.00133729 -0.000303675 30
8811 53 O 23.9118 35.4488 15.4579 0.000798711 -0.00436465 0.00110039 30
8812 54 O 23.9679 39.9078 15.5345 0.00190369 0.000524621 -0.00231876 30
8813 55 C 19.4839 37.3283 32.1882 -0.00163707 -0.00145926 0.000571683 30
8814 56 C 20.2532 36.0834 31.6812 -0.00407215 0.00183319 -0.00435751 30
8815 57 C 28.2397 36.2154 15.3451 0.000557096 -0.000395885 0.00200461 30
8816 58 C 27.3265 35.8653 14.2011 -0.0012588 0.00230077 -0.00286846 30
8817 59 C 27.332 36.9834 13.1397 0.00143306 -0.000863963 -0.00322669 30
8818 60 C 26.6477 36.5132 11.8409 0.00193326 -0.0052841 -0.0027436 30
8819 61 C 26.8681 37.455 10.6791 -0.00324637 0.00217799 -0.00241006 30
8820 62 C 26.5212 36.7697 9.35036 -0.00437378 -0.00299406 -0.00419697 30
8821 63 C 26.4924 37.7604 8.15156 -0.00636906 0.00152102 0.000543499 30
8822 64 C 26.3976 36.9579 6.83565 0.00501222 -0.00347499 0.000407736 30
8823 65 C 26.101 37.819 5.59914 -4.43218e-05 0.00272583 -0.00317897 30
8824 66 C 25.9376 36.938 4.30157 -0.00107216 -0.00289688 -0.003146 30
8825 67 C 25.5685 37.8125 3.07475 -1.73477e-05 -0.00123236 0.000368464 30
8826 68 C 25.1448 36.9112 1.92778 -0.00114001 0.00265811 0.000571161 30
8827 69 F 21.5919 39.194 22.7005 0.00206471 -0.000193181 0.00169569 30
8828 70 C 23.4034 34.3854 14.627 -0.000756943 0.00160807 0.00207334 30
8829 71 C 23.7984 34.7997 13.2386 -0.00255283 -0.000733544 0.00084907 30
8830 72 C 22.7665 34.3408 12.2202 0.000176487 -0.00149636 -0.000561123 30
8831 73 C 23.3168 34.5181 10.775 0.000893498 0.00730866 0.00155111 30
8832 74 C 22.1778 34.1581 9.79627 0.00285109 0.00159047 -0.00342632 30
8833 75 C 22.5674 33.9369 8.30497 -0.000190067 -0.00214933 -0.00112285 30
8834 76 C 22.818 35.2373 7.52677 -0.00122263 0.0004214 -0.00147068 30
8835 77 C 23.1387 35.1726 5.98994 0.00101528 0.00200066 0.000180155 30
8836 78 C 22.0111 34.5225 5.15821 -0.000586207 -0.00165444 0.000228937 30
8837 79 C 22.0934 35.0697 3.71397 0.00111086 -0.00142676 0.00192638 30
8838 80 C 21.1719 34.3775 2.71202 0.00504592 0.00124277 0.00200236 30
8839 81 C 21.2817 34.9846 1.29634 -0.00454231 -0.00219167 -0.00367051 30
8840 82 C 25.1977 40.2249 14.8394 -0.003229 -0.001568 0.00077592 30
8841 83 C 24.9028 40.1925 13.3635 0.00298846 0.000525833 0.00173952 30
8842 84 C 25.9588 40.7598 12.3864 -0.0019392 -0.00274257 -0.00200035 30
8843 85 C 25.3179 41.2038 11.0294 0.000863855 0.00258235 -0.00299229 30
8844 86 C 26.3233 41.4158 9.8807 -0.000698865 -0.00202041 -0.00279745 30
8845 87 C 25.5752 42.1822 8.75344 0.00464679 -0.00379494 -0.00197989 30
8846 88 C 26.2924 42.2348 7.39079 -0.000836665 -0.00122244 0.00138813 30
8847 89 C 26.0961 41.0016 6.45664 -0.00316903 -0.00252053 -0.000798443 30
8848 90 C 25.7888 41.3558 4.95518 -0.00168379 -0.000756032 0.00673395 30
8849 91 C 26.9291 41.9375 4.15409 0.000463732 0.0049008 -0.00183259 30
8850 92 C 26.6284 42.2908 2.68286 0.00364168 0.00347847 -0.00243259 30
8851 93 C 26.2245 41.1059 1.83216 0.00204258 -0.000466945 -0.00299842 30
8852 94 C 15.21 37.0991 33.6739 -0.00153022 0.0029242 0.000795919 30
8853 95 C 15.1326 37.0568 35.2275 0.000836563 0.00227316 -0.00393436 30
8854 96 C 13.7196 36.8422 35.7999 -0.00113452 -0.00129528 -0.00687293 30
8855 97 C 13.7938 36.4946 37.3482 0.000653526 -0.000292298 -0.00122574 30
8856 98 C 14.1535 37.6557 38.313 0.00444933 -0.00285755 0.0031603 30
8857 99 C 14.111 37.161 39.77 -0.00178025 0.00617881 -0.00169732 30
8858 100 C 13.966 38.3234 40.7647 -0.000991061 -0.0032892 -0.0011936 30
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9062 2 C 25.5789 33.623 29.7244 -0.000731388 -0.00480663 -0.00238908 31
9063 3 C 24.9311 32.5978 29.0524 0.000386138 0.0039817 -0.00036799 31
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9065 5 C 24.0109 31.7954 31.1509 -0.000897076 -0.00210213 0.0025221 31
9066 6 C 24.6521 32.7772 31.8388 0.000461662 0.000707744 -0.000799313 31
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9068 8 C 19.6843 30.5302 29.197 -0.00432194 -0.000133566 0.000478339 31
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9072 12 C 20.5947 30.5234 31.497 0.0016042 0.000972552 0.00193681 31
9073 13 C 25.3307 27.3473 31.4906 -0.000445705 0.00446699 -0.00231456 31
9074 14 C 25.4482 27.2581 30.1236 -0.00390102 -0.00308571 -0.000439803 31
9075 15 C 24.8904 28.1976 29.2655 -0.00249644 -0.000425629 0.00225 31
9076 16 C 24.1853 29.2467 29.8543 -0.00274125 -0.00219846 -0.000332961 31
9077 17 C 23.5618 30.4284 29.0887 -0.000863143 -0.00429302 -0.00526863 31
9078 18 O 24.3444 28.363 33.4334 -0.00255714 0.00451648 -0.000289125 31
9079 19 O 20.3565 30.58 32.8644 0.00073815 -0.00431614 0.00176355 31
9080 20 O 24.393 33.0306 33.186 0.00129908 0.000460706 0.00455874 31
9081 21 C 24.5879 28.3645 32.0698 0.00574479 0.00417443 -0.00685542 31
9082 22 C 23.836 30.3843 27.6731 -0.0011096 -0.000349032 -0.00106475 31
9083 23 C 24.3028 30.3773 26.5431 -0.00142646 -0.00111974 -0.00233715 31
9084 24 C 25.1842 30.4844 25.3981 0.00301419 -0.000655099 0.00393634 31
9085 25 C 25.1387 31.6708 24.6016 4.55292e-06 -0.00697083 0.00168053 31
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9087 27 C 27.0423 30.8761 23.3392 0.000113658 0.000742001 -0.00168135 31
9088 28 C 27.0651 29.6819 24.1069 0.00174256 0.000309858 -0.000954314 31
9089 29 C 26.1435 29.5028 25.1927 0.000435006 0.00199621 0.00346011 31
9090 30 C 27.848 30.9342 22.1824 -0.000728896 -0.00144967 -0.0015035 31
9091 31 C 28.3542 30.9072 21.0744 -0.00264492 -0.000714597 0.000826757 31
9092 32 C 27.5757 27.1584 19.1366 -0.00461045 -0.00355016 -0.00167975 31
9093 33 C 27.9252 27.0119 17.8172 0.00354316 0.000788671 0.00190447 31
9094 34 C 28.3737 28.0709 17.0037 -0.00326776 0.0016576 0.00104301 31
9095 35 C 28.4913 29.3466 17.6569 -0.000254534 -0.00161484 0.00284329 31
9096 36 C 28.2433 29.444 19.0416 -0.00277446 0.00128412 -0.00283856 31
9097 37 C 27.8252 28.35 19.8049 0.00160973 0.00342161 -0.00277646 31
9098 38 C 28.6782 30.8214 19.6469 0.00218618 0.00045308 -0.000145729 31
9099 39 C 32.5554 30.9592 19.4012 -0.00446602 -0.000850069 0.00103015 31
9100 40 C 32.6792 31.0985 17.993 -0.00145903 -0.000246793 0.00298204 31
9101 41 C 31.5635 31.061 17.1806 0.00029495 0.00114144 -0.000913431 31
9102 42 C 30.3135 30.89 17.775 0.000275029 0.00194743 0.000757726 31
9103 43 C 30.1656 30.9428 19.1818 0.00181227 -0.00158718 -0.00064839 31
9104 44 C 31.3048 30.9081 20.0082 0.00370459 0.00164658 0.00336035 31
9105 45 C 26.4621 33.8 18.4813 -0.000282222 0.00106042 -0.00244646 31
9106 46 C 26.5975 33.6772 17.0834 0.00241985 0.000601084 -0.00193847 31
9107 47 C 27.4164 32.682 16.5525 0.00099786 -0.00283891 -0.000295014 31
9108 48 C 28.0352 31.8089 17.4566 -0.00255837 0.00143194 0.000500123 31
9109 49 C 28.973 30.6422 17.0218 -0.00314844 -0.000580253 -0.00251012 31
9110 50 C 27.9118 31.9202 18.8319 0.00370426 0.000544033 -0.00191924 31
9111 51 C 27.151 32.9596 19.3455 0.000473097 -0.00261615 -0.000586416 31
9112 52 O 31.6804 31.375 15.861 0.000153225 0.000306785 -0.00090273 31
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9114 54 O 27.5338 32.5647 15.1965 -0.00166356 0.00104757 0.000776506 31
9115 55 C 23.2124 30.6037 31.7277 -0.002385 -0.00571921 -0.00134661 31
9116 56 C 24.0323 29.3681 31.2567 -0.00560406 -0.0001719 0.00637374 31
9117 57 C 31.3275 30.556 14.7474 -0.00107716 -0.00175126 -0.0031958 31
9118 58 C 30.6772 31.4939 13.7212 0.000999087 0.000780466 0.00156241 31
9119 59 C 30.4773 30.9666 12.239 0.00317725 0.00236588 0.00557931 31
9120 60 C 30.0055 29.5174 12.0327 -0.00207094 -0.00101102 -0.000890789 31
9121 61 C 29.5298 29.2829 10.5923 0.00133037 0.000672211 -9.84551e-05 31
9122 62 C 30.429 29.8301 9.44843 -0.00204945 -0.000596262 -0.000881529 31
9123 63 C 29.7605 29.6903 8.06395 0.00182756 0.00127589 -0.000911862 31
9124 64 C 30.5726 30.237 6.83946 -0.00099132 -0.000877464 -0.00380687 31
9125 65 C 29.7484 30.0615 5.52825 0.00186368 -0.000105617 0.000165323 31
9126 66 C 30.6092 30.2357 4.27903 0.00127697 -0.00129803 -0.00240349 31
9127 67 C 29.783 30.0838 3.01138 -0.000347953 0.00651495 0.000307473 31
9128 68 C 30.5969 30.4225 1.73078 -0.00169862 -0.000355275 -0.00105355 31
9129 69 F 26.0042 32.9257 22.7721 -0.00105783 0.000206946 -0.00215681 31
9130 70 C 29.0506 26.4478 15.2591 0.00104213 0.00168791 0.00159808 31
9131 71 C 29.5544 26.4341 13.8264 0.00343244 0.000798764 0.00424636 31
9132 72 C 30.2806 25.114 13.4785 -0.00207455 -0.000729197 -0.00189638 31
9133 73 C 30.3411 24.6737 11.9972 0.00246993 0.00176957 0.00480114 31
9134 74 C 30.2969 25.7047 10.8599 -0.00399143 -0.000858908 0.000471171 31
9135 75 C 30.3663 24.9616 9.50871 -0.0007719 0.000134897 0.00471847 31
9136 76 C 30.1397 25.953 8.32334 0.00298911 0.00435619 -0.00172889 31
9137 77 C 30.387 25.2087 7.01577 0.00025691 -0.00136337 -0.000922211 31
9138 78 C 30.0633 26.0876 5.7979 -0.00189069 -0.00281607 0.000590816 31
9139 79 C 30.5446 25.4122 4.50993 0.000350454 -0.00396879 0.00070952 31
9140 80 C 30.418 26.3031 3.23616 -0.0031102 -0.00132399 0.0013795 31
9141 81 C 31.0122 25.5712 2.01671 -0.00057464 -0.000546391 0.00330426 31
9142 82 C 26.4936 31.8055 14.5467 -0.000446023 -0.00462907 0.0010803 31
9143 83 C 26.8645 31.4165 13.1057 -0.000364442 -0.00126683 -0.000199876 31
9144 84 C 26.4539 32.4229 11.9962 -0.00021513 0.00196544 0.00450266 31
9145 85 C 26.9446 31.8955 10.6354 -9.61649e-05 -0.000969701 0.0025348 31
9146 86 C 26.2597 32.5881 9.46914 -0.00283227 0.000416173 0.00151677 31
9147 87 C 26.8162 32.1802 8.10897 -0.000801622 0.00031874 -0.00239449 31
9148 88 C 26.4238 33.2657 7.08115 0.00075556 -0.00657077 0.00328708 31
9149 89 C 26.674 32.9631 5.59043 0.00637332 -0.00539282 -0.000960695 31
9150 90 C 25.6931 31.9996 4.92241 -0.00107157 -0.00344707 -0.0013794 31
9151 91 C 25.8265 31.9875 3.39152 0.00073574 -0.00135948 -5.64403e-06 31
9152 92 C 24.9691 33.1258 2.80261 -0.00286554 -0.0024071 -0.00317346 31
9153 93 C 25.0989 33.2032 1.27314 0.0015723 0.00688462 0.00153213 31
9154 94 C 19.0934 30.9464 33.4039 0.000421728 -0.00447524 -0.000598792 31
9155 95 C 19.0299 30.7419 34.9312 0.00567691 -0.00223147 -0.000608661 31
9156 96 C 17.6637 30.674 35.6176 0.00153471 0.00531337 0.00177767 31
9157 97 C 17.6983 30.3635 37.1289 0.000913184 0.00399635 -0.003305 31
9158 98 C 18.0522 31.406 38.2262 0.0023139 -0.000690597 -0.000247442 31
9159 99 C 18.0445 30.6893 39.5955 0.00182779 -0.00103858 0.00120518 31
9160 100 C 18.0752 31.5582 40.8664 0.00577919 -0.00277085 -0.00256347 31
9161 101 C 17.9854 30.5535 42.0866 0.00184949 -0.00660573 0.000307076 31
9162 102 C 18.0004 31.1776 43.5135 -0.00151331 0.00129374 -0.00330998 31
9163 103 C 18.0963 30.0268 44.5602 0.000601241 -0.00293423 0.000721974 31
9164 104 C 18.1686 30.4682 46.0109 -0.000809621 -0.00216626 -0.00134532 31
9165 105 C 16.8465 30.899 46.7274 0.00122904 -0.00213763 -7.55306e-05 31
9166 106 C 24.3046 34.4114 33.5911 -0.00179693 -0.000458537 0.00486135 31
9167 107 C 25.471 34.7731 34.5139 -0.00341471 0.00332582 -0.0046432 31
9168 108 C 25.0829 34.6166 35.9719 -0.00435854 0.00193782 0.00127636 31
9169 109 C 25.9989 35.343 36.9918 -0.00265283 0.00112087 0.00290571 31
9170 110 C 25.658 34.9567 38.4409 -0.00142933 0.00288043 -9.92828e-05 31
9171 111 C 26.2277 36.0108 39.3861 -0.00109042 -0.00243773 0.00161721 31
9172 112 C 25.7066 35.8461 40.8077 -0.000715427 -0.000397936 0.00424051 31
9173 113 C 26.4004 34.6854 41.5722 -0.000137272 -0.00431016 -0.000835208 31
9174 114 C 25.8292 34.4428 42.9735 -0.00113566 0.0035647 0.00373544 31
9175 115 C 26.0716 35.5575 43.9955 0.000201937 0.000259194 0.00101012 31
9176 116 C 25.7765 35.0974 45.4357 -0.0062359 0.00141766 -0.00127692 31
9177 117 C 26.0206 36.1636 46.4667 0.0015298 -5.81424e-05 -0.00122069 31
9178 118 C 24.0444 27.092 34.063 -0.00323734 0.00167008 0.00148382 31
9179 119 C 25.1327 26.6759 35.0345 -0.00108638 -0.00238035 -0.0037061 31
9180 120 C 24.6549 26.7565 36.5232 0.0022889 0.00263342 -0.000682756 31
9181 121 C 25.4798 26.0575 37.6273 -0.00222148 0.000861761 -0.00181456 31
9182 122 C 24.8397 26.3073 38.9868 -0.00202563 0.00355924 -0.00294974 31
9183 123 C 25.7389 25.8266 40.1666 -0.00330941 0.00338968 0.000122736 31
9184 124 C 25.1311 26.1523 41.5391 -0.00373759 -0.0034134 -0.000629208 31
9185 125 C 26.075 25.8355 42.6979 -0.00234247 0.000157558 0.00130505 31
9186 126 C 25.4452 26.0634 44.084 -0.000206634 0.00187512 -0.00158796 31
9187 127 C 26.353 25.6518 45.2278 -0.00300612 0.00208447 -0.00309944 31
9188 128 C 25.7622 25.9505 46.6282 0.00504396 0.000724732 0.00325681 31
9189 129 C 25.7702 27.4082 47.1458 0.0016146 0.00256946 -0.000714333 31
9190 130 F 24.2103 32.6121 24.8562 -0.00662292 0.00134822 0.0015947 31
9191 131 H 25.9735 34.495 31.6031 -0.0015187 -0.00174641 0.00871334 31
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9195 135 H 18.8237 30.618 28.5404 -0.00950477 -0.00395516 0.00676596 31
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9197 137 H 25.7552 26.5456 32.0876 0.00712715 0.0114363 0.00164807 31
9198 138 H 25.936 26.415 29.6434 -0.00101818 -0.00597412 0.00759304 31
9199 139 H 24.9392 28.0844 28.1865 -0.00454256 -0.00893077 0.00305093 31
9200 140 H 27.7913 28.9095 23.8713 0.00269256 0.000467583 0.0014588 31
9201 141 H 26.2021 28.6585 25.8732 -0.000527672 -4.77676e-05 0.00100152 31
9202 142 H 27.2427 26.279 19.6799 -0.00117274 0.00102832 0.00782822 31
9203 143 H 27.876 26.0123 17.3953 0.0140069 -0.00258699 0.00869227 31
9204 144 H 27.7602 28.3958 20.888 -0.0120005 0.00194748 -0.00354966 31
9205 145 H 33.4675 30.9962 19.9895 -0.0110236 -0.00675481 0.011512 31
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9207 147 H 31.2413 30.8287 21.0895 -0.00575246 -0.0111373 0.00186504 31
9208 148 H 25.8068 34.5563 18.9031 0.0128697 0.00594287 0.0092014 31
9209 149 H 26.0742 34.3939 16.4574 -0.00132733 0.00832384 0.00999695 31
9210 150 H 28.9896 30.549 15.9289 0.0153842 -0.00537922 -0.00179816 31
9211 151 H 27.0853 33.1381 20.4148 -0.0034866 -0.000588716 -0.00116961 31
9212 152 H 22.9682 30.605 32.7971 0.00236611 0.00389331 -0.000300917 31
9213 153 H 32.2702 30.1376 14.3736 -5.59453e-05 -0.000466511 -0.00206048 31
9214 154 H 30.6216 29.7527 14.992 0.00604375 -0.00605417 0.00317766 31
9215 155 H 31.2776 32.4099 13.6586 0.00577415 -0.00374711 -0.0189477 31
9216 156 H 29.7057 31.817 14.1152 -0.00249952 0.00573653 -0.0110891 31
9217 157 H 31.458 31.0532 11.7551 0.00324712 -0.00589415 0.00425323 31
9218 158 H 29.8157 31.6758 11.7266 -0.0194117 -0.0142917 0.0117209 31
9219 159 H 29.1465 29.3214 12.6863 -0.00166247 0.000827933 0.000197868 31
9220 160 H 30.8292 28.8324 12.2686 0.00710723 0.0064399 -0.0112506 31
9221 161 H 28.5818 29.8291 10.5127 -0.00603917 -0.0118217 0.00225776 31
9222 162 H 29.3335 28.2185 10.4135 0.00553018 -0.000526432 0.00242196 31
9223 163 H 31.354 29.2405 9.45987 -0.00786867 -0.00963717 0.0071158 31
9224 164 H 30.578 30.8987 9.64686 0.000338805 -0.00257149 0.00799848 31
9225 165 H 28.78 30.1751 8.14828 0.0076515 0.0140725 -0.0070899 31
9226 166 H 29.4621 28.6507 7.88044 -0.00241681 0.00415755 -0.0103887 31
9227 167 H 31.5313 29.707 6.78072 0.00158345 0.00225797 0.0098294 31
9228 168 H 30.7979 31.3022 6.97306 0.00165624 -0.00270468 0.00630355 31
9229 169 H 28.9218 30.7826 5.53959 0.00489197 0.00331576 0.0033077 31
9230 170 H 29.2593 29.0797 5.50875 0.0195688 -0.00866742 -0.0115439 31
9231 171 H 31.3917 29.4675 4.31099 -0.00127612 -0.0034618 0.00852634 31
9232 172 H 31.1342 31.1955 4.3596 -0.00636487 0.00204001 0.00786691 31
9233 173 H 28.9386 30.7773 3.10896 0.00311065 0.0105208 0.00180194 31
9234 174 H 29.3524 29.0752 2.98265 0.0080851 0.00332489 -0.0133598 31
9235 175 H 30.8814 31.4814 1.76437 -0.00500974 0.00029199 0.00705908 31
9236 176 H 29.9954 30.3075 0.82064 0.00667833 -0.0124129 -0.00506863 31
9237 177 H 31.3843 29.6638 1.6419 -0.0147328 -0.0134557 -0.00550193 31
9238 178 H 29.7761 26.0105 15.9561 -0.00732952 -0.00720125 0.00472933 31
9239 179 H 28.1403 25.8357 15.2708 -0.000477629 0.00411284 0.0100467 31
9240 180 H 28.7276 26.5999 13.1247 0.000876671 0.00157191 0.00744572 31
9241 181 H 30.2485 27.2635 13.6426 0.00878663 -0.00709937 -0.0112867 31
9242 182 H 31.3084 25.188 13.8547 -0.00315702 -0.00297046 0.00150525 31
9243 183 H 29.8603 24.2796 14.0535 -0.0131955 0.00601085 -0.000260256 31
9244 184 H 31.2071 24.0128 11.8677 0.00313254 0.00156334 0.0102985 31
9245 185 H 29.5111 23.9842 11.7997 0.0203434 -0.0166219 -0.00622577 31
9246 186 H 29.3101 26.1783 10.9316 -0.00572753 -0.00492117 0.00351251 31
9247 187 H 31.0924 26.4494 10.9863 -0.00361316 -0.00231526 0.00673106 31
9248 188 H 31.3248 24.4308 9.45451 0.00389036 0.00827822 0.00743321 31
9249 189 H 29.5939 24.1831 9.48416 0.0107917 -0.0118209 0.0196994 31
9250 190 H 29.1219 26.362 8.30501 0.000381086 -0.00246759 -0.00911323 31
9251 191 H 30.7894 26.8271 8.45418 0.00817322 0.00089109 -0.00440936 31
9252 192 H 31.4472 24.9275 6.99878 -0.00392136 -0.0167765 -0.00589781 31
9253 193 H 29.8006 24.2883 6.90469 -0.0197801 0.0120393 -0.00623487 31
9254 194 H 28.991 26.2911 5.68699 -0.000727086 0.00651777 0.0065099 31
9255 195 H 30.5263 27.0775 5.89345 0.0110707 -0.00874943 -0.000854207 31
9256 196 H 31.5729 25.0468 4.62164 0.00106894 -0.00443208 -0.00738639 31
9257 197 H 29.9112 24.5299 4.35588 -0.00392729 -0.00224074 0.00839317 31
9258 198 H 29.3564 26.502 3.04398 -0.00442259 -0.00115847 0.00878454 31
9259 199 H 30.9454 27.2561 3.36642 -0.0147653 0.00333104 0.0144458 31
9260 200 H 31.9563 25.0701 2.26358 -0.000667112 0.00364749 0.0121593 31
9261 201 H 30.3462 24.8063 1.59865 -0.00628343 0.00300794 0.00591487 31
9262 202 H 31.2463 26.3179 1.2479 0.000985413 -0.011516 -0.00686036 31
9263 203 H 26.3928 30.8774 15.1227 0.00314186 -0.00184548 0.00620817 31
9264 204 H 25.5741 32.3988 14.6243 -0.00426668 -0.0120513 0.0126329 31
9265 205 H 27.9548 31.3135 13.1678 -7.62772e-05 0.00175609 -0.000178165 31
9266 206 H 26.4427 30.4338 12.8608 -0.0135842 0.00697628 -0.0105518 31
9267 207 H 25.3606 32.489 11.9354 -0.000259081 -0.00784961 -0.00555335 31
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9272 212 H 26.3207 33.6784 9.57352 -0.0101331 1.13874e-05 0.00998263 31
9273 213 H 27.9073 32.0672 8.12304 8.10964e-05 0.0066876 -0.0194986 31
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9275 215 H 25.3573 33.4822 7.21964 -0.00092464 -0.00791879 -0.00756953 31
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9277 217 H 26.6416 33.9275 5.06874 0.00330428 0.00429078 0.0171214 31
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9279 219 H 25.8395 30.9626 5.24915 -0.0136335 -0.00639878 -0.00504354 31
9280 220 H 24.6553 32.2564 5.16838 -0.00256827 -0.0160908 0.00552538 31
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9283 223 H 23.9081 32.9252 2.99631 -0.00356443 0.00954993 0.00525827 31
9284 224 H 25.267 34.103 3.20216 0.00314563 -0.00667691 0.00277408 31
9285 225 H 24.4108 33.9901 0.940609 0.0119147 0.01561 0.000744617 31
9286 226 H 26.1083 33.4899 0.95349 0.00420155 -0.00679563 -0.00247454 31
9287 227 H 24.8871 32.2257 0.822489 0.0106669 0.00427907 0.00286866 31
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9290 230 H 19.4491 29.7585 35.1777 0.00195032 -0.00330668 0.00145984 31
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9293 233 H 17.1207 29.8899 35.0756 0.00200862 0.0057927 0.000603498 31
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9295 235 H 18.4121 29.5392 37.2492 0.00886699 0.0104757 -0.00606775 31
9296 236 H 19.0213 31.874 38.0136 -0.00045746 -0.000665776 -0.0128865 31
9297 237 H 17.2714 32.1766 38.2218 0.00202339 -0.000916689 0.0139832 31
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9299 239 H 18.8741 29.9727 39.6363 -0.00189711 -0.00527688 0.00252257 31
9300 240 H 19.0124 32.1262 40.9163 0.00802544 -0.0067622 0.000731708 31
9301 241 H 17.2492 32.2799 40.885 -0.00253607 -0.0123885 0.00124722 31
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9303 243 H 18.8582 29.8967 41.9857 0.00790923 0.00273504 -0.00832393 31
9304 244 H 18.8573 31.84 43.6876 0.000200909 -0.00037373 -0.0054275 31
9305 245 H 17.1039 31.796 43.6457 -0.00334304 -0.000458323 -0.00750617 31
9306 246 H 17.301 29.2853 44.4146 0.00288674 -0.00718089 0.00986613 31
9307 247 H 19.0521 29.5088 44.4136 0.000902555 -0.00207124 -0.000353886 31
9308 248 H 18.6151 29.6765 46.625 -0.00213151 -0.00381922 -0.00251755 31
9309 249 H 18.8436 31.3312 46.0661 0.00152949 -0.00428661 0.00315889 31
9310 250 H 16.2975 31.6728 46.1765 0.00472321 -0.00775652 -0.0114412 31
9311 251 H 16.2139 30.0166 46.8841 -0.00725817 0.00555442 0.00890904 31
9312 252 H 17.0739 31.2945 47.725 -0.0130458 -0.00125139 0.00282784 31
9313 253 H 24.3484 35.1133 32.7492 0.0191846 0.0013513 0.00744041 31
9314 254 H 23.3297 34.6117 34.0525 0.00175442 0.00290782 0.0108945 31
9315 255 H 26.3275 34.1519 34.2243 -0.00779011 -0.0104459 0.012015 31
9316 256 H 25.7454 35.8269 34.3813 0.00614375 0.00335512 0.0152188 31
9317 257 H 24.0954 35.0836 36.0734 -0.0023716 0.00555543 0.0039951 31
9318 258 H 24.9856 33.5551 36.231 -0.0106058 0.00581755 0.0148644 31
9319 259 H 27.0668 35.1595 36.8208 -0.00273805 -0.00579228 0.00978189 31
9320 260 H 25.8681 36.4171 36.8111 -0.00111533 0.00183248 0.0060383 31
9321 261 H 24.5719 34.9878 38.5921 -0.000459058 -0.00105281 0.00767438 31
9322 262 H 26.0689 33.9734 38.7012 -0.00100713 0.00252983 -0.00209503 31
9323 263 H 27.3246 35.992 39.3787 -0.00121048 -0.0106185 0.0043641 31
9324 264 H 25.8501 36.9815 39.042 0.0219674 0.00660719 0.00195017 31
9325 265 H 25.8248 36.7596 41.4035 -0.00723857 0.00248945 0.00110238 31
9326 266 H 24.6306 35.6419 40.87 -0.00347428 0.0142294 0.00443022 31
9327 267 H 26.1943 33.761 41.0186 0.00150315 -0.012473 0.0121774 31
9328 268 H 27.4831 34.8281 41.6765 -0.00101449 -0.000486085 0.00300546 31
9329 269 H 24.7723 34.1583 42.9011 -0.00139483 0.00782239 -0.00903272 31
9330 270 H 26.3177 33.5414 43.3639 0.000694061 -0.00393946 -0.0159256 31
9331 271 H 27.1318 35.8203 43.8933 0.00336654 -0.00657071 0.0164819 31
9332 272 H 25.4992 36.4476 43.7063 -0.0199515 -0.0153544 -0.00711367 31
9333 273 H 24.725 34.7938 45.5106 -0.0014507 -0.017083 -0.00909398 31
9334 274 H 26.3731 34.2074 45.671 0.000518808 0.00304584 -0.0122404 31
9335 275 H 25.7296 35.8336 47.4716 0.00431102 -0.0056042 -0.0022442 31
9336 276 H 27.0703 36.4801 46.4285 0.00425878 -0.00866833 0.00256554 31
9337 277 H 25.3793 37.022 46.2314 0.00191617 0.00292411 0.00859235 31
9338 278 H 23.0926 27.0782 34.6083 -0.00526291 -0.0208052 -0.0025477 31
9339 279 H 23.9474 26.3093 33.3005 -0.00306925 -0.00815682 0.0115486 31
9340 280 H 25.9841 27.3519 34.8878 -0.000182802 -0.0041039 -0.00638725 31
9341 281 H 25.5268 25.668 34.855 -0.000276294 -0.00192715 -0.0044685 31
9342 282 H 23.644 26.3402 36.614 0.0138258 -0.0205817 0.0215908 31
9343 283 H 24.5592 27.8167 36.7881 0.0179545 0.00207058 0.0072171 31
9344 284 H 26.5216 26.3991 37.5895 0.00284407 -0.0150673 -0.00680824 31
9345 285 H 25.4859 24.9853 37.3957 0.0048418 -8.93155e-06 0.00243853 31
9346 286 H 23.8603 25.8201 39.0697 0.000118151 -0.00023211 0.0001248 31
9347 287 H 24.6985 27.3863 39.1256 -0.00368819 0.000556351 0.0189417 31
9348 288 H 26.704 26.3391 40.0704 0.00469469 -0.0110942 0.00337426 31
9349 289 H 25.9276 24.7483 40.0945 -0.00916516 0.00271337 -0.00510213 31
9350 290 H 24.2523 25.515 41.6974 -0.0168294 0.0138386 -0.00402545 31
9351 291 H 24.7983 27.1926 41.6421 -0.0133781 -0.00727997 0.00752804 31
9352 292 H 27.0043 26.4001 42.5532 -0.00726019 0.00904549 0.00448819 31
9353 293 H 26.3687 24.7793 42.6577 -0.0070324 -0.00122894 0.00345033 31
9354 294 H 24.5298 25.4698 44.1986 0.00614818 -0.00651607 0.00579488 31
9355 295 H 25.1094 27.1041 44.1711 -0.0101913 -0.00140445 -0.000684553 31
9356 296 H 27.321 26.158 45.1264 0.000295343 -0.00482441 -0.00612831 31
9357 297 H 26.5568 24.576 45.1608 -0.0175294 -0.00133907 0.0078371 31
9358 298 H 26.3762 25.3837 47.3391 -0.00640287 -0.00686014 0.00707488 31
9359 299 H 24.7382 25.5621 46.6904 0.00190246 0.00776606 -0.0044434 31
9360 300 H 26.7613 27.8707 47.0613 0.00516776 -0.00504839 -0.000718093 31
9361 301 H 25.5189 27.3971 48.2135 -0.00317698 0.00275064 -0.00184256 31
9362 302 H 25.0327 28.0071 46.5973 0.00382256 0.00372015 -0.00242663 31
9363 1 C 29.4082 40.7867 31.424 -0.000839604 0.00132022 0.00377222 32
9364 2 C 29.5252 40.7366 30.0456 -0.00283095 -0.00195484 -0.00157698 32
9365 3 C 28.9056 39.7149 29.3142 0.0018148 -0.000753529 0.0040668 32
9366 4 C 28.1361 38.7503 29.99 0.000759958 -0.00174673 0.000346104 32
9367 5 C 28.0092 38.7707 31.4101 -0.00200662 -0.00072538 -9.0728e-05 32
9368 6 C 28.6506 39.8289 32.1264 0.00161841 -0.00404185 -0.0011964 32
9369 7 C 23.5079 37.3507 30.7802 0.000894726 0.00219111 -0.00091882 32
9370 8 C 23.696 37.2016 29.4128 -0.000789775 0.00245478 0.00422563 32
9371 9 C 24.979 37.2369 28.8511 0.000804947 -0.00226351 -0.00046731 32
9372 10 C 26.0831 37.4499 29.7216 0.000804916 0.000127028 0.000992354 32
9373 11 C 25.9323 37.4187 31.15 -0.000568591 0.00464079 -0.00235693 32
9374 12 C 24.6099 37.4162 31.6677 0.00356395 0.000188505 0.00146396 32
9375 13 C 29.2764 34.1499 31.3334 -0.00226105 -0.00325704 0.00269904 32
9376 14 C 29.3585 34.1658 29.925 -0.00118444 0.00252833 -0.00260754 32
9377 15 C 28.8195 35.2546 29.2442 0.0016993 0.000897758 -0.00105075 32
9378 16 C 28.2163 36.3147 29.9469 0.00136199 0.00152656 0.00106361 32
9379 17 C 27.5435 37.5085 29.2791 0.00288302 0.00192167 0.0028361 32
9380 18 O 28.4961 34.999 33.4537 -0.00223582 0.00121191 -0.000978686 32
9381 19 O 24.3782 37.5325 33.0097 0.00155251 0.00218926 0.00289259 32
9382 20 O 28.6174 39.9869 33.5173 -0.000345095 0.00112606 -0.00149294 32
9383 21 C 28.5796 35.1394 32.0731 -0.000586415 -0.00092184 -0.000885835 32
9384 22 C 27.7739 37.4663 27.8363 0.00151559 0.00283655 0.0041861 32
9385 23 C 28.2025 37.3991 26.7047 -0.000512509 -0.00212898 -0.000987792 32
9386 24 C 28.9318 37.334 25.4918 -0.00250252 -0.000516779 0.00224967 32
9387 25 C 29.2684 38.5249 24.8362 0.00207047 -0.00246243 0.00179959 32
9388 26 C 30.1659 38.4715 23.8049 -0.000962209 -0.00347309 -0.000308057 32
9389 27 C 30.661 37.2445 23.3246 -0.000801576 -0.00409374 0.00132713 32
9390 28 C 30.2462 36.0539 23.9091 0.00029115 0.0027991 -0.00266692 32
9391 29 C 29.3937 36.1034 25.0376 0.00317829 0.00201505 -0.00580089 32
9392 30 C 31.4798 37.2435 22.1239 0.00169429 0.00620634 -0.00219015 32
9393 31 C 32.0471 37.2434 21.0499 0.00461613 0.00105456 0.000837674 32
9394 32 C 30.5443 34.2712 18.2562 0.00178877 -0.000379564 -0.00202833 32
9395 33 C 30.7215 34.4948 16.8658 0.000931029 -0.00118817 0.00587789 32
9396 34 C 31.4519 35.6056 16.3737 -0.000897341 0.001565 0.00186653 32
9397 35 C 32.0282 36.4392 17.3144 0.00369405 0.000994872 -0.0025113 32
9398 36 C 31.7908 36.3009 18.7006 -0.00263799 0.00229334 -0.00214401 32
9399 37 C 31.065 35.1655 19.1767 -0.00260507 -0.000562347 0.00343912 32
9400 38 C 32.469 37.3747 19.6152 -0.00416371 0.00303712 -1.41859e-05 32
9401 39 C 36.356 37.3006 19.6619 -0.00218115 1.0638e-05 3.35532e-05 32
9402 40 C 36.6129 37.3701 18.272 0.000893338 2.02507e-05 0.00172484 32
9403 41 C 35.5621 37.4124 17.3659 -0.00155804 -0.00220863 0.00358635 32
9404 42 C 34.2521 37.3599 17.875 0.00296727 -0.00033273 0.00126709 32
9405 43 C 33.9715 37.2706 19.2482 -0.00158385 0.00167447 -0.00361159 32
9406 44 C 35.0334 37.1804 20.1586 -0.00259451 -0.00209308 -0.00250743 32
9407 45 C 30.8992 40.8745 18.8592 -0.000204323 -0.00309649 -0.0015068 32
9408 46 C 31.0922 40.8641 17.4704 0.00547675 -0.00292039 0.00211931 32
9409 47 C 31.7988 39.8419 16.8293 -0.00263294 -0.00491444 -0.000766104 32
9410 48 C 32.3022 38.7924 17.5988 0.0041001 -0.000607862 0.000153791 32
9411 49 C 32.9915 37.5593 16.9808 0.000471105 -0.0021636 -0.000570881 32
9412 50 C 32.0459 38.7092 18.9737 -0.00118085 -0.00189579 -0.00610865 32
9413 51 C 31.3505 39.7837 19.5989 0.0033714 -0.00346999 0.000619959 32
9414 52 O 35.7963 37.4568 16.0093 0.00291126 -0.00214507 -0.00297574 32
9415 53 O 31.5814 35.9233 15.0247 0.00101744 -0.000280811 -0.000271138 32
9416 54 O 31.7304 39.6923 15.4877 -0.00115183 -9.45131e-06 0.000902381 32
9417 55 C 27.287 37.4896 31.9217 0.000458813 -0.00249286 -0.00132349 32
9418 56 C 28.0552 36.2744 31.3688 4.19352e-05 0.0025203 -0.000135557 32
9419 57 C 35.7053 36.2134 15.3104 -0.000651883 -0.000669319 0.00265217 32
9420 58 C 36.3911 36.2896 13.914 0.00300282 0.000291385 0.000549978 32
9421 59 C 35.4622 36.8378 12.7973 -0.00188995 -0.00193078 -0.000187824 32
9422 60 C 35.9053 36.3476 11.3969 -0.000447442 0.0043887 -0.00145062 32
9423 61 C 34.9293 36.8159 10.3244 0.00120964 -0.000459255 -0.00263732 32
9424 62 C 35.2949 36.378 8.88583 -0.00396006 0.000849424 0.00300332 32
9425 63 C 34.2386 36.8238 7.90802 -0.0014328 -0.000282945 0.00134893 32
9426 64 C 34.6698 36.6807 6.42064 0.000245244 0.000518709 0.00520783 32
9427 65 C 33.4806 36.5398 5.42287 0.00486091 -0.00310499 0.00143371 32
9428 66 C 33.6823 37.0604 3.9731 -0.0011174 -0.00173881 0.000712627 32
9429 67 C 34.2162 35.9629 3.06082 0.00493314 0.00308993 -0.00539193 32
9430 68 C 34.0612 36.2584 1.53043 -0.000454179 -0.000706829 -0.00148915 32
9431 69 F 30.6131 39.6035 23.2108 -0.000790124 -0.00342882 0.00122145 32
9432 70 C 31.358 35.0374 13.9284 0.00335073 0.00110527 -0.00336036 32
9433 71 C 31.3183 35.91 12.6682 0.00168696 0.00389186 -0.00158811 32
9434 72 C 31.3557 35.0938 11.3676 0.000552515 0.000796484 -0.00133756 32
9435 73 C 29.9547 34.7605 10.8363 -0.00483359 0.00243252 -0.00124297 32
9436 74 C 29.8773 34.3559 9.34159 0.00041459 0.00260256 -0.00568632 32
9437 75 C 30.0977 35.5814 8.39651 0.00430894 -0.00162165 0.00407544 32
9438 76 C 30.5691 35.2806 6.95674 -0.00336234 -0.00363981 -0.00370591 32
9439 77 C 29.6986 34.2865 6.17921 -0.000315441 0.00211264 0.00789846 32
9440 78 C 30.4488 33.7737 4.95067 -0.00272802 -0.000449308 0.00333821 32
9441 79 C 30.7575 34.7938 3.84287 -0.00276264 -0.00151256 0.00360132 32
9442 80 C 29.5329 35.0899 2.9991 -0.00353697 -0.00147942 -0.00060316 32
9443 81 C 29.161 33.9801 2.00587 0.00195679 -0.00224429 0.000438787 32
9444 82 C 32.6976 40.3759 14.7317 -0.00479239 0.00177823 0.00377537 32
9445 83 C 33.1824 39.3958 13.6697 0.00122731 0.000952091 0.00156711 32
9446 84 C 33.3563 40.0783 12.2765 -0.00164653 0.00269002 0.00201799 32
9447 85 C 34.3857 41.2376 12.2392 -0.000114609 0.00285072 0.0027845 32
9448 86 C 34.3769 41.9711 10.8877 0.00102853 -0.00107697 0.000344795 32
9449 87 C 34.7051 41.0482 9.71368 0.000232384 0.00175581 -0.00497686 32
9450 88 C 34.4568 41.7591 8.34534 -0.00222212 0.00131007 -0.00153744 32
9451 89 C 34.4863 40.7716 7.18896 0.000365057 -0.00327272 0.00482208 32
9452 90 C 34.2766 41.5176 5.85671 0.00399846 4.97502e-05 0.00406424 32
9453 91 C 34.1916 40.5556 4.63558 -0.00098296 0.00400584 0.0041403 32
9454 92 C 34.0279 41.3369 3.33157 0.00105302 0.00147949 -0.00192335 32
9455 93 C 33.8084 40.3946 2.13148 0.00449611 -0.001212 -0.00122045 32
9456 94 C 23.0524 37.58 33.5899 -0.000902982 -0.000996096 -0.000265353 32
9457 95 C 23.0648 37.6402 35.1162 -0.000898287 0.00375129 0.00192074 32
9458 96 C 21.8207 37.2895 35.948 -0.00126532 -0.00214399 -0.00257447 32
9459 97 C 22.121 37.0283 37.4459 -0.000406636 -0.0015976 -0.00142243 32
9460 98 C 22.0812 38.2933 38.3074 0.00137723 -0.00119373 0.00380675 32
9461 99 C 22.7153 38.1787 39.7213 0.00534546 -0.000528438 -0.00203253 32
9462 100 C 21.818 37.5897 40.813 0.0036225 0.00368765 -0.00211957 32
9463 101 C 22.5014 37.4686 42.1875 -0.00195536 0.00491227 -0.00242591 32
9464 102 C 21.575 37.2419 43.3971 0.00337256 -0.00202819 -0.0012748 32
9465 103 C 22.4514 36.832 44.6206 -0.000189277 -2.63135e-05 0.00491459 32
9466 104 C 21.7058 36.9683 45.9519 0.000223891 0.00221476 -0.003159 32
9467 105 C 22.5543 36.5105 47.1552 0.000632505 -0.00114225 0.00180285 32
9468 106 C 29.0899 41.2318 34.1385 0.00362385 0.00392709 -0.0025847 32
9469 107 C 28.8008 41.3373 35.6858 -0.00118978 0.000659615 0.000290488 32
9470 108 C 29.3643 42.6205 36.2758 0.00175548 -0.0058114 0.0010484 32
9471 109 C 28.9956 42.847 37.7669 0.00135153 4.19239e-05 0.00346503 32
9472 110 C 29.9038 42.0545 38.698 4.57972e-06 -0.00275579 0.000238034 32
9473 111 C 29.3744 41.8464 40.1417 -0.000300519 -0.000811713 0.00226603 32
9474 112 C 29.2954 43.1497 40.98 -0.0015526 -0.00518401 0.00154123 32
9475 113 C 28.9622 42.8903 42.4703 0.00341175 -0.00361142 0.00123001 32
9476 114 C 30.1897 42.2556 43.1905 0.00125919 0.00176454 -0.00160262 32
9477 115 C 30.1864 42.4198 44.7306 -0.000723879 0.00283449 -0.000804404 32
9478 116 C 28.9983 41.8107 45.4396 0.00131615 0.00131927 0.00185838 32
9479 117 C 29.1272 41.9879 46.9601 -0.00209624 0.00383931 0.0021057 32
9480 118 C 29.2073 33.9124 34.103 -0.00248593 -0.00246416 -0.00192814 32
9481 119 C 28.9284 33.7445 35.6035 -0.00411322 0.00317722 0.0051333 32
9482 120 C 29.7211 32.602 36.2245 -0.00472819 -0.00129855 0.00472133 32
9483 121 C 29.2433 32.2611 37.6074 0.00226098 0.00154817 -0.00147579 32
9484 122 C 29.3006 33.4991 38.5397 -0.00343461 -3.40115e-05 0.0028364 32
9485 123 C 29.1048 33.2594 40.0195 0.00392203 -0.00698842 -0.000192384 32
9486 124 C 30.3829 32.7996 40.7691 -0.00328813 -0.00369668 -0.00116098 32
9487 125 C 30.4284 33.2429 42.2531 -0.00108114 -0.000603293 0.00315857 32
9488 126 C 29.3775 32.5315 43.1497 -0.00533286 0.000762491 0.0037284 32
9489 127 C 29.134 33.1735 44.4895 -0.000183344 -0.000401657 0.000404168 32
9490 128 C 30.4099 33.5631 45.2204 0.000525071 0.00117127 -0.00265409 32
9491 129 C 30.0822 34.0864 46.6023 0.00101853 -0.00200246 0.000720645 32
9492 130 F 28.8569 39.7256 25.3151 -0.0054117 0.00488025 -0.000897753 32
9493 131 H 30.0145 41.5341 31.9272 -0.00546752 0.00913264 -0.00228717 32
9494 132 H 30.1006 41.4737 29.4932 0.0101622 -0.0123004 -0.00183215 32
9495 133 H 28.9917 39.6829 28.2321 0.00772919 -6.49553e-05 0.00452504 32
9496 134 H 22.4788 37.3936 31.1244 -0.00171702 -0.00619987 -0.00767514 32
9497 135 H 22.8145 37.0196 28.8052 0.00348521 0.00589122 -0.00297819 32
9498 136 H 25.1267 37.1429 27.7793 -0.00411378 -0.0284506 0.00116117 32
9499 137 H 29.7105 33.2679 31.7951 -0.00536692 -0.00492487 0.00243744 32
9500 138 H 29.8671 33.3582 29.4067 -0.00729499 0.000225803 -0.00500704 32
9501 139 H 28.9703 35.2963 28.1695 -0.00571408 0.00127452 -0.00207063 32
9502 140 H 30.5815 35.0858 23.549 0.00430675 0.00457996 -0.0036986 32
9503 141 H 29.0994 35.1998 25.5633 0.00607559 0.00288092 -0.00268977 32
9504 142 H 29.8706 33.4928 18.602 -0.004459 0.00411573 -0.00404092 32
9505 143 H 30.2768 33.8078 16.1519 -0.00680003 0.00241141 0.00723857 32
9506 144 H 30.8256 35.0141 20.2251 -0.00110167 0.0148043 0.00599758 32
9507 145 H 37.1706 37.3164 20.38 -0.00216182 -0.000933005 3.17491e-05 32
9508 146 H 37.6475 37.4272 17.947 -0.00517003 0.00539144 -0.0164822 32
9509 147 H 34.8688 37.055 21.2247 0.00502177 0.0101527 0.000105012 32
9510 148 H 30.382 41.6853 19.3636 -0.00210025 -0.00462294 -0.00099771 32
9511 149 H 30.678 41.681 16.8869 0.0158072 -0.00794005 -0.0122231 32
9512 150 H 33.2069 37.678 15.9118 0.00649502 0.00405598 0.00132955 32
9513 151 H 31.2599 39.8157 20.6806 -0.0116429 -0.0133708 -0.000377213 32
9514 152 H 27.1763 37.5286 33.0124 0.00088415 -0.00192267 -0.00129976 32
9515 153 H 36.2475 35.4508 15.883 -0.00750419 -0.00617399 0.00180158 32
9516 154 H 34.6639 35.9152 15.1368 -0.000326897 -0.00334153 0.00532919 32
9517 155 H 36.6743 35.2623 13.6535 0.00726641 0.0046187 -0.0118624 32
9518 156 H 37.3494 36.8074 14.0442 0.00642042 -0.00793026 0.00825807 32
9519 157 H 35.4213 37.9338 12.8186 0.00519151 -0.00179076 0.00671048 32
9520 158 H 34.4545 36.4341 12.9552 0.00186416 -0.00318566 0.0205005 32
9521 159 H 35.9163 35.2515 11.4392 0.010894 0.0044104 -0.00430757 32
9522 160 H 36.9092 36.7462 11.2051 0.00203148 -0.000345208 0.00170942 32
9523 161 H 34.9084 37.9126 10.3397 0.00134733 -0.000288698 -0.0144204 32
9524 162 H 33.922 36.4628 10.5774 0.00435629 0.00109461 0.0120547 32
9525 163 H 35.4088 35.2872 8.86057 0.0061118 0.00217033 -0.00873024 32
9526 164 H 36.2904 36.7803 8.66096 0.00203245 -0.00563998 0.0177184 32
9527 165 H 34.0522 37.8923 8.0724 -0.006926 0.000114168 -0.00745562 32
9528 166 H 33.3434 36.2253 8.1174 -0.00463895 0.00229765 -0.00501183 32
9529 167 H 35.2957 35.7878 6.29987 -0.00632257 -0.00584498 0.0181933 32
9530 168 H 35.2779 37.5563 6.16176 -0.000742902 0.000530458 0.00292947 32
9531 169 H 32.6234 37.0639 5.86317 0.00675466 0.00618715 -0.00597873 32
9532 170 H 33.1565 35.4926 5.3794 -0.0147164 0.00286161 0.00352683 32
9533 171 H 34.2521 37.996 3.91531 0.0049773 -0.00443724 0.0176083 32
9534 172 H 32.7248 37.3633 3.53166 0.0053269 0.0104564 -0.00495153 32
9535 173 H 33.6287 35.0598 3.2673 0.00875355 0.00401657 0.00954113 32
9536 174 H 35.2529 35.8005 3.38048 0.000934468 0.00451539 0.00839472 32
9537 175 H 34.6667 37.1233 1.23259 -0.00208109 0.00323114 0.00664951 32
9538 176 H 33.0263 36.4659 1.23134 0.000501726 0.0100224 0.00264496 32
9539 177 H 34.409 35.4015 0.94037 0.0104567 0.00163761 0.00153174 32
9540 178 H 32.1738 34.3077 13.8537 -0.00246013 -0.00666059 0.00899349 32
9541 179 H 30.4071 34.5061 14.0584 0.012756 -0.011171 0.0153948 32
9542 180 H 30.4817 36.6195 12.6618 -0.00762011 -0.0071579 -0.00744166 32
9543 181 H 32.1929 36.5673 12.7482 -0.00319621 0.00998164 0.00196192 32
9544 182 H 31.8777 35.7544 10.6644 0.000195552 0.00227305 -0.000216614 32
9545 183 H 32.0047 34.2094 11.3746 -0.00155691 -0.000632921 0.00923833 32
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9547 185 H 29.2746 35.6142 10.9467 -0.011275 -0.000915841 -0.014783 32
9548 186 H 30.5485 33.5279 9.08193 0.00120409 0.000787481 0.00218208 32
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9550 188 H 29.1579 36.1448 8.34451 0.00687627 0.00173618 -0.00582275 32
9551 189 H 30.8629 36.2463 8.81579 -0.00182162 0.00671322 0.00204205 32
9552 190 H 30.6807 36.2268 6.41302 -0.000640898 -0.000221006 0.00278967 32
9553 191 H 31.5911 34.8949 7.05715 -0.000228939 0.0046813 -0.00353966 32
9554 192 H 29.4095 33.4598 6.83977 0.00171396 -0.00631468 -0.00178818 32
9555 193 H 28.7605 34.7576 5.86061 -0.00554252 -0.00545258 0.0120866 32
9556 194 H 31.3931 33.3265 5.2851 -0.00334094 0.000104203 0.00580882 32
9557 195 H 29.8299 32.9496 4.57486 0.00287437 -0.00583414 0.00591236 32
9558 196 H 31.041 35.7734 4.24708 -7.7396e-05 -0.0116352 0.0261587 32
9559 197 H 31.5389 34.4149 3.17262 -0.0122825 0.00252872 -0.00980424 32
9560 198 H 28.6626 35.2798 3.63934 0.00251419 -0.00266779 0.0079678 32
9561 199 H 29.7433 36.0125 2.44413 -0.0109238 0.00884268 0.0137322 32
9562 200 H 28.3201 34.2916 1.374 3.70309e-05 -0.00266595 0.00278719 32
9563 201 H 30.0031 33.6974 1.36216 0.00487703 6.70106e-05 0.00324644 32
9564 202 H 28.8939 33.0591 2.53865 0.00620841 -0.00369949 6.48812e-05 32
9565 203 H 32.1416 41.1776 14.2302 -8.27515e-05 0.00249045 -0.000295327 32
9566 204 H 33.4847 40.8418 15.3372 -0.0127364 0.000418807 0.015163 32
9567 205 H 34.0936 38.9216 14.0547 -0.000316079 -0.000572342 0.00334143 32
9568 206 H 32.4049 38.6301 13.5572 -0.000376934 0.00326391 -0.00311782 32
9569 207 H 33.6329 39.3181 11.5356 -0.0165766 0.00850876 -0.00955117 32
9570 208 H 32.4051 40.4988 11.9274 -0.00135108 -0.00674363 -0.010188 32
9571 209 H 34.0802 41.9983 12.9682 0.00980027 -0.00247414 0.0124491 32
9572 210 H 35.3882 40.8624 12.4791 -0.0100817 -0.0130689 0.0195849 32
9573 211 H 33.4136 42.4513 10.676 -0.00341568 -0.00407395 0.0138665 32
9574 212 H 35.1853 42.7127 10.8874 -0.00827225 0.0090209 0.00694725 32
9575 213 H 35.7721 40.7939 9.72896 0.00113539 0.00552073 -0.00513076 32
9576 214 H 34.1473 40.1047 9.75997 -0.00959653 0.00830779 0.0103833 32
9577 215 H 33.4615 42.2202 8.35576 -0.00517037 -0.00517441 0.00556196 32
9578 216 H 35.2704 42.482 8.20769 -0.00338716 0.00137876 -0.00802285 32
9579 217 H 35.4675 40.2827 7.14941 0.00270822 0.00167416 0.00142703 32
9580 218 H 33.6938 40.0229 7.31055 0.00906902 -0.0128797 0.00227433 32
9581 219 H 33.3532 42.1041 5.9394 -0.005298 -0.0125365 -0.010517 32
9582 220 H 35.0817 42.2182 5.60288 0.00536813 0.000286164 0.00913117 32
9583 221 H 35.04 39.8602 4.632 -0.00451247 -0.000401873 0.0211691 32
9584 222 H 33.2881 39.9399 4.72469 -0.00320735 0.00623976 -0.00288615 32
9585 223 H 33.2514 42.1063 3.42375 -0.00341971 -0.00351451 0.00197955 32
9586 224 H 34.9608 41.8949 3.18372 0.0107251 -0.019535 -0.0200709 32
9587 225 H 34.6268 39.6659 2.07813 0.010013 0.00509405 -0.0026575 32
9588 226 H 32.8895 39.8154 2.28457 0.00908606 -0.0132376 -0.0192404 32
9589 227 H 33.7394 40.975 1.20319 0.00872255 0.00544829 0.00262385 32
9590 228 H 22.5499 38.4749 33.2025 0.00665319 0.000218448 -0.0072582 32
9591 229 H 22.5009 36.7107 33.211 0.000921743 -0.00193117 -0.000778429 32
9592 230 H 23.922 37.0153 35.396 -0.00689735 -0.00190978 0.00760627 32
9593 231 H 23.3447 38.6766 35.3416 0.00161628 0.000951877 0.011582 32
9594 232 H 21.0552 38.0682 35.8422 -0.00461357 -0.00365935 0.0105362 32
9595 233 H 21.2468 36.4672 35.5033 0.00298322 -0.000628521 -0.0108556 32
9596 234 H 21.3588 36.3875 37.9062 -0.01047 0.0235932 0.01717 32
9597 235 H 23.1047 36.5649 37.5913 0.00036407 0.00175888 0.0041442 32
9598 236 H 22.6147 39.0828 37.7637 -0.00623854 -0.00102743 -0.00343862 32
9599 237 H 21.0488 38.6442 38.4274 0.00567574 0.0159971 -0.00942073 32
9600 238 H 23.5826 37.5163 39.6103 -0.000588637 -0.00834741 -0.00183759 32
9601 239 H 23.0773 39.1485 40.0847 -0.00772699 0.00247213 0.00298777 32
9602 240 H 20.9997 38.3125 40.9192 -0.00103071 -0.0035579 0.011139 32
9603 241 H 21.4586 36.5936 40.5263 0.000401517 0.00572766 -0.00514167 32
9604 242 H 23.3037 36.7207 42.1642 -0.000657718 0.00593923 0.00916479 32
9605 243 H 23.0362 38.4129 42.3479 0.000501678 0.00273472 0.00218298 32
9606 244 H 21.0258 38.1634 43.6264 -0.0147801 -0.014623 0.00586925 32
9607 245 H 20.8467 36.449 43.1867 0.00334437 -0.000504155 -0.00691139 32
9608 246 H 22.7582 35.7819 44.5402 0.0032631 0.000170614 0.0153373 32
9609 247 H 23.3754 37.4212 44.671 0.00379223 -0.00617123 0.00380508 32
9610 248 H 21.4211 38.0017 46.185 -0.00158898 0.00251741 -0.00676535 32
9611 249 H 20.8403 36.2959 45.9048 -0.00436823 0.00787259 0.000793522 32
9612 250 H 23.3229 37.2654 47.3619 -0.00546341 0.00461298 0.00345907 32
9613 251 H 21.9337 36.3938 48.0522 -0.00503593 0.00733437 -0.00102265 32
9614 252 H 23.056 35.5475 46.9991 0.000134229 -0.00251905 0.00866059 32
9615 253 H 30.1766 41.2638 33.9915 0.00285714 -0.00292632 -0.00981461 32
9616 254 H 28.6593 42.0645 33.5686 -0.00322466 0.00513748 0.0043878 32
9617 255 H 27.7498 41.292 35.9967 -0.00256324 -0.0169742 -0.0069356 32
9618 256 H 29.2408 40.445 36.1478 -0.00510145 -0.00750644 -0.0116782 32
9619 257 H 30.4581 42.63 36.1928 0.00121279 -0.0031895 -0.00578425 32
9620 258 H 29.0943 43.478 35.6471 0.00280668 -0.0139972 -0.0105608 32
9621 259 H 29.0932 43.9149 37.9983 0.00552617 -0.00293042 0.0153897 32
9622 260 H 27.9392 42.607 37.9395 0.00298366 -0.00288847 0.00936657 32
9623 261 H 29.9763 41.0302 38.3119 -0.00804955 -0.00223625 -0.00265568 32
9624 262 H 30.9149 42.4794 38.6753 -0.00278654 0.00396856 0.00218199 32
9625 263 H 28.4146 41.3277 40.0268 -0.00275315 0.00774146 -0.016049 32
9626 264 H 30.0162 41.0933 40.6152 0.00124523 -0.00665206 -0.00907436 32
9627 265 H 30.2406 43.6987 40.8865 -0.0073648 0.00368772 -0.00535713 32
9628 266 H 28.5945 43.8888 40.5728 -0.000852917 -0.000822131 0.00821619 32
9629 267 H 28.7709 43.8533 42.9596 -0.0120338 0.00216638 -0.0162577 32
9630 268 H 28.1165 42.1991 42.5725 0.00655362 -0.00772525 -0.000461295 32
9631 269 H 30.3042 41.185 42.9805 0.0042984 -7.78798e-05 0.00934475 32
9632 270 H 31.0701 42.7855 42.8065 0.00580168 -0.000578841 0.00560724 32
9633 271 H 31.101 41.9575 45.122 -0.00191827 -0.00313456 -0.00505068 32
9634 272 H 30.2277 43.5009 44.9119 -0.00436609 0.0035376 -0.0041338 32
9635 273 H 28.1117 42.3727 45.1213 -0.0048678 -0.00102409 0.0149394 32
9636 274 H 28.8777 40.7601 45.1481 0.0101698 0.000150103 0.00240558 32
9637 275 H 29.212 43.0574 47.1888 0.00255179 0.00296487 0.00445592 32
9638 276 H 28.2111 41.5979 47.4207 0.00119443 -0.00543639 0.000801039 32
9639 277 H 29.9937 41.4546 47.3703 -0.00404546 -0.0033886 -0.00318004 32
9640 278 H 28.8528 32.9934 33.6202 0.0106818 -0.0139285 0.0102731 32
9641 279 H 30.2822 33.9576 33.8887 -0.000900512 0.000603622 0.00676782 32
9642 280 H 27.8572 33.588 35.7803 -0.00820151 0.0153183 -0.00884543 32
9643 281 H 29.1603 34.68 36.1273 0.00461624 0.00923903 -0.00957742 32
9644 282 H 30.7539 32.9553 36.3332 -0.00500632 -0.0021439 0.010171 32
9645 283 H 29.6668 31.7237 35.5696 -0.00794258 0.00556421 -0.00423536 32
9646 284 H 29.9138 31.5123 38.0467 -0.00998127 -0.0111754 -0.00452642 32
9647 285 H 28.2409 31.8193 37.5484 0.00648687 -0.0105423 0.0172604 32
9648 286 H 28.5076 34.2081 38.2719 -0.00747359 -0.00583564 -0.000527727 32
9649 287 H 30.2305 34.0516 38.3566 -0.00418357 -0.00365917 -0.0119936 32
9650 288 H 28.2391 32.6239 40.2435 0.000661807 -0.00104061 0.00409759 32
9651 289 H 28.8843 34.2712 40.3814 0.00226758 -0.00258934 -0.0134909 32
9652 290 H 31.2483 33.2803 40.2965 0.00508234 -0.00759058 0.0102032 32
9653 291 H 30.5103 31.7226 40.6045 0.00282624 -0.0047389 0.0105315 32
9654 292 H 30.3502 34.3359 42.3031 -0.00572369 -0.000862385 0.00141233 32
9655 293 H 31.415 33.0416 42.6886 0.00250687 -0.000587703 -0.00498936 32
9656 294 H 29.7062 31.4921 43.2728 0.00143222 0.00251038 0.000390066 32
9657 295 H 28.4142 32.3815 42.6467 -0.00400375 0.000632488 0.00122218 32
9658 296 H 28.5187 32.5122 45.112 0.000865119 -0.0013399 0.000441098 32
9659 297 H 28.4932 34.0488 44.3262 -0.000146304 0.000312525 0.00409819 32
9660 298 H 30.936 34.412 44.7666 0.00568406 0.00250177 0.00573593 32
9661 299 H 31.1953 32.7994 45.2781 0.00953866 0.0098119 -0.010402 32
9662 300 H 29.9104 33.278 47.3237 0.00319279 0.00260568 0.00641758 32
9663 301 H 29.1704 34.6949 46.6457 -0.00262646 -0.00646143 -0.0137666 32
9664 302 H 30.9411 34.6594 46.9728 -0.00056712 0.00846796 -0.0118178 32
9665 1 C 33.1709 34.1039 31.0313 0.000225411 -0.00191804 -0.00472972 33
9666 2 C 33.3422 34.0244 29.6654 -0.00459984 -0.00152315 0.00181835 33
9667 3 C 32.7988 32.9333 28.985 -0.000172019 0.00272679 -0.00134934 33
9668 4 C 32.0796 31.9557 29.6913 0.00226688 0.00526717 -0.000887607 33
9669 5 C 31.9322 32.0175 31.0934 0.00368132 0.000721149 -0.00120745 33
9670 6 C 32.4276 33.164 31.766 -0.00462728 -0.000197947 -7.27978e-05 33
9671 7 C 27.4257 30.5714 30.4835 0.000626631 0.00501076 0.00501129 33
9672 8 C 27.6764 30.4434 29.0894 -0.00179675 -0.000571466 0.00166844 33
9673 9 C 28.9738 30.4978 28.5554 0.00129429 -0.000337553 -0.000946877 33
9674 10 C 30.0175 30.6953 29.4392 -0.000490466 0.00355338 -0.00135924 33
9675 11 C 29.833 30.8067 30.8356 0.00325066 -0.000798188 0.00140411 33
9676 12 C 28.5105 30.6663 31.3748 -0.00144663 -0.00140024 -0.00358091 33
9677 13 C 32.8833 27.2764 31.1778 -0.00158673 0.0043741 -0.00414855 33
9678 14 C 33.1764 27.3475 29.814 -0.000934988 -0.000803018 0.000171704 33
9679 15 C 32.7555 28.5023 29.0985 -0.000825518 0.00165485 0.000973914 33
9680 16 C 32.0672 29.5252 29.7593 0.00290193 -0.00408399 0.00543646 33
9681 17 C 31.4805 30.7372 29.0166 0.00116649 0.00286489 0.00034078 33
9682 18 O 32.172 28.2397 33.2325 -0.00213989 0.000806093 2.18374e-05 33
9683 19 O 28.3534 30.7422 32.7478 0.00222189 -0.00167726 0.000379879 33
9684 20 O 32.3346 33.3993 33.1347 -0.000739973 0.00104667 -0.00298614 33
9685 21 C 32.2745 28.3457 31.8733 0.00220833 0.00508427 -0.00644016 33
9686 22 C 31.7717 30.683 27.5903 -0.00220848 0.00493567 0.00144006 33
9687 23 C 32.3428 30.6819 26.5191 -0.00171377 0.0031034 -0.00180802 33
9688 24 C 33.2 30.7776 25.3861 0.00107097 -0.00300402 0.00261565 33
9689 25 C 33.54 32.0009 24.7837 0.000359732 -0.00306391 0.00268158 33
9690 26 C 34.4152 32.0577 23.6687 0.00150219 0.00216007 0.00080432 33
9691 27 C 35.041 30.8578 23.2611 -0.00136051 -0.00493861 0.00428291 33
9692 28 C 34.7254 29.6502 23.8941 -0.00248933 0.00129701 0.00727996 33
9693 29 C 33.7726 29.5987 24.942 -0.000353748 0.000228282 -0.00166435 33
9694 30 C 35.8299 30.8154 22.1343 -0.000407884 -0.000393395 0.000728284 33
9695 31 C 36.3433 30.7662 21.0347 0.000197441 0.00304897 0.00171238 33
9696 32 C 35.0458 27.3153 18.8436 -0.000522015 -0.00126718 0.00245606 33
9697 33 C 35.2894 27.3481 17.4587 -0.00114915 -0.00166956 -0.0018386 33
9698 34 C 35.8642 28.4339 16.7637 0.00107694 -0.00168341 -0.00284139 33
9699 35 C 36.1846 29.561 17.5234 0.00350138 -0.00134485 -0.00352344 33
9700 36 C 36.0724 29.5189 18.9435 -0.00205913 0.00217694 -0.00042432 33
9701 37 C 35.4586 28.4177 19.6053 0.001406 -0.000320484 -0.00150952 33
9702 38 C 36.5938 30.818 19.6016 0.000594055 0.00342841 0.00323697 33
9703 39 C 40.4366 30.5377 19.3109 -0.00519256 -0.00504493 -0.00234827 33
9704 40 C 40.5746 30.5595 17.8967 0.00359218 -0.00049921 -0.000260218 33
9705 41 C 39.4429 30.7811 17.1031 -0.00255532 -0.00201692 -0.000106522 33
9706 42 C 38.1858 30.9019 17.7035 -0.000165812 0.000795282 -0.000416529 33
9707 43 C 38.0578 30.8573 19.1076 0.000147848 0.00143614 0.00336625 33
9708 44 C 39.1842 30.7028 19.9219 -0.00132724 -0.00554973 -0.00158337 33
9709 45 C 34.474 33.8987 18.7101 -0.00168296 -0.0021753 0.000314937 33
9710 46 C 34.6116 33.8998 17.3178 0.000948757 -0.00115088 0.00118331 33
9711 47 C 35.4717 33.0116 16.695 0.00159881 -0.000507691 0.0033625 33
9712 48 C 36.0757 32.0099 17.4968 0.00245755 -0.00182429 0.000814153 33
9713 49 C 36.8861 30.8281 16.9573 -0.0019572 -0.00255867 -0.00171244 33
9714 50 C 35.9026 32 18.9086 -0.00312829 -0.00310098 0.00299074 33
9715 51 C 35.1006 32.9759 19.5277 0.000122848 -0.00405277 0.00158149 33
9716 52 O 39.5387 30.9937 15.733 -1.69723e-05 0.00359398 -4.39919e-05 33
9717 53 O 36.2129 28.3491 15.4184 -0.00387133 0.00158061 0.000411511 33
9718 54 O 35.6788 33.0103 15.3305 0.000233891 -0.00163509 0.000694122 33
9719 55 C 31.1883 30.7991 31.649 0.00232246 -0.000993998 7.22188e-05 33
9720 56 C 31.9027 29.515 31.1479 -0.00202738 -0.00395963 -0.00244964 33
9721 57 C 39.5998 29.8305 14.8427 -0.00182334 -0.00279568 -1.97827e-05 33
9722 58 C 39.3167 30.2984 13.4295 0.00174336 -0.00113074 -0.00177167 33
9723 59 C 37.8118 30.5668 13.2354 0.00237647 -0.00278031 -0.00113838 33
9724 60 C 37.193 30.5159 11.8007 -0.0024667 -0.000764341 -0.0018269 33
9725 61 C 38.0983 30.0313 10.6526 -0.000162935 0.000430219 -0.000909206 33
9726 62 C 37.5299 30.4902 9.30359 0.00118777 0.00059721 0.00063771 33
9727 63 C 38.4784 30.1438 8.15797 -0.000107129 -0.00171185 0.000552306 33
9728 64 C 37.846 30.4173 6.77486 -0.00528023 -0.00266761 0.00521278 33
9729 65 C 38.7343 29.912 5.62009 -0.000542311 0.00121859 -0.000452908 33
9730 66 C 38.0034 30.1161 4.27293 0.00286536 -0.000433527 -0.000224221 33
9731 67 C 38.7756 29.6455 3.03223 0.000891637 -0.00107082 -0.00037783 33
9732 68 C 38.1689 29.9479 1.63536 0.00407027 -0.00435595 0.00316487 33
9733 69 F 34.701 33.2686 23.0673 -0.000470889 0.000762419 -0.00331177 33
9734 70 C 36.4718 27.0475 14.8479 0.000421161 0.00369799 0.00512243 33
9735 71 C 37.029 27.1843 13.4024 -0.00218677 -0.00244593 -0.000488164 33
9736 72 C 37.442 25.7942 12.8387 0.00269003 -0.00320652 0.000659907 33
9737 73 C 37.7849 25.8119 11.3509 0.00185632 -0.00351634 -0.00249054 33
9738 74 C 38.3077 24.4524 10.8639 -0.00161431 0.00265601 0.0012105 33
9739 75 C 39.1412 24.5278 9.58252 0.00469273 -0.000659041 0.00193879 33
9740 76 C 38.3816 24.7623 8.30872 0.00531608 -3.49443e-05 0.00261573 33
9741 77 C 38.1962 26.2501 7.94151 0.00158665 -0.000417648 -3.80418e-06 33
9742 78 C 37.6107 26.3788 6.52018 -0.000898502 0.00177395 -0.00288638 33
9743 79 C 38.5951 26.0487 5.35975 0.00143816 0.00320121 -0.00199226 33
9744 80 C 37.8992 26.05 3.98995 -0.00105321 -0.00255316 -0.00337847 33
9745 81 C 38.8599 25.6022 2.8147 -0.000576435 0.00189196 -0.00228328 33
9746 82 C 34.5661 32.6722 14.4708 -0.00110833 -0.00460523 0.000578019 33
9747 83 C 34.8725 33.1434 13.0366 -0.000700764 2.65144e-05 -0.00185227 33
9748 84 C 34.1766 32.3056 11.9244 0.000447188 -0.000716928 -0.00194563 33
9749 85 C 34.3862 32.8229 10.5105 -0.00221151 3.25926e-05 -0.00317618 33
9750 86 C 33.7408 31.977 9.39335 -0.000279464 0.00137902 -0.0029282 33
9751 87 C 33.326 32.8229 8.17805 0.00130943 -0.000311784 -0.00375458 33
9752 88 C 34.31 32.8 6.99651 0.00251519 0.000540145 0.00252514 33
9753 89 C 34.1849 31.4992 6.14461 0.00073795 -0.000748285 0.00448328 33
9754 90 C 34.9179 31.5721 4.78345 -0.00263004 0.00147852 0.000859091 33
9755 91 C 34.3446 32.5911 3.79326 -0.00291807 0.000604096 -0.00163866 33
9756 92 C 33.8434 32.0804 2.42023 0.00219659 0.00225803 -0.00373606 33
9757 93 C 34.9825 31.9049 1.43089 -0.000189465 -0.00147108 -0.0017129 33
9758 94 C 27.01 30.4673 33.3277 0.00145825 -0.000477754 0.00272685 33
9759 95 C 26.9467 30.9525 34.8157 0.000912985 0.000761908 0.00022802 33
9760 96 C 25.5726 30.5275 35.4598 0.0011354 0.00231397 0.00209912 33
9761 97 C 25.418 31.0838 36.8992 -0.00354921 -0.0045609 -0.00207913 33
9762 98 C 25.5906 30.0306 38 -0.00446034 -0.00330335 0.00098617 33
9763 99 C 26.0408 30.787 39.2899 0.00311894 -0.000911344 0.0022837 33
9764 100 C 25.5917 30.0793 40.5667 1.21239e-05 -0.00125868 -0.00179499 33
9765 101 C 26.2491 30.595 41.8696 0.00310054 0.00480313 0.00224295 33
9766 102 C 25.8286 29.7151 43.0798 0.00220958 0.000514932 0.000264689 33
9767 103 C 26.5082 30.0485 44.4301 -0.00168279 -0.000877369 -0.00022611 33
9768 104 C 25.6738 31.1216 45.1934 0.00101727 -0.000788331 -0.000997997 33
9769 105 C 26.0034 31.2209 46.6995 -0.00423889 0.0042415 0.00220882 33
9770 106 C 33.1979 34.3385 33.847 0.00204185 -0.00238394 0.00228793 33
9771 107 C 32.7831 34.7363 35.2907 -0.00270585 0.00139208 0.000207071 33
9772 108 C 33.7708 35.7261 35.9109 -0.00131861 -0.0017929 -8.15283e-05 33
9773 109 C 33.4973 36.2728 37.3603 -0.000713793 -0.00113603 -0.00114468 33
9774 110 C 33.3806 35.242 38.5361 -0.00276024 0.00169612 -0.00101217 33
9775 111 C 33.7357 35.8758 39.8871 0.00126345 0.000362684 -0.00449633 33
9776 112 C 33.3023 35.1193 41.1409 0.00104357 -0.00156492 -0.00422967 33
9777 113 C 34.0986 35.6443 42.3623 -0.00281417 0.00260449 -0.00179174 33
9778 114 C 33.4515 35.2371 43.7098 -0.000671678 0.00305029 -0.000585473 33
9779 115 C 34.2784 35.7852 44.9028 -0.0030463 0.00290718 -0.00225724 33
9780 116 C 33.6238 35.7653 46.3246 -0.00137979 0.000733001 0.00229658 33
9781 117 C 33.6683 34.4284 47.0463 0.00249628 -0.00195665 0.00573738 33
9782 118 C 32.4392 27.0654 34.0063 -0.00386349 0.00263454 -0.0049417 33
9783 119 C 32.7096 27.5035 35.4519 0.00365871 -0.00611284 0.000966714 33
9784 120 C 32.9313 26.2728 36.355 0.00107553 0.00144351 -0.00345146 33
9785 121 C 33.6675 26.6554 37.6665 -0.00347867 0.000766483 0.000326487 33
9786 122 C 33.3447 25.685 38.8177 -0.00123197 -0.00251356 -0.00183294 33
9787 123 C 33.8843 26.2528 40.1614 0.00389611 -0.00578331 0.00153812 33
9788 124 C 33.2876 25.5246 41.4036 0.00275952 -0.0043083 0.00199291 33
9789 125 C 33.8533 26.0884 42.721 -0.00313359 -0.000558736 -0.000395475 33
9790 126 C 33.3441 25.2468 43.9176 -0.00256213 0.00245387 -0.000699395 33
9791 127 C 33.9874 25.5483 45.2891 0.00255701 -0.00121481 0.00230292 33
9792 128 C 33.509 26.8451 46.0112 0.00085068 0.00129836 -0.00196995 33
9793 129 C 34.4781 27.2474 47.1126 0.00313422 -0.00453769 0.000255868 33
9794 130 F 32.9566 33.1168 25.2526 0.00119956 0.000412039 -0.00147248 33
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9800 136 H 29.1419 30.3089 27.4992 0.0091277 -0.0065273 0.00140014 33
9801 137 H 33.1807 26.3669 31.6913 -0.00545261 0.00529579 -0.000275517 33
9802 138 H 33.5972 26.5124 29.2618 -0.00090999 0.00234893 -0.0045932 33
9803 139 H 32.9633 28.5 28.0326 0.00968814 0.0192751 0.00299947 33
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9805 141 H 33.4628 28.6364 25.3389 0.0155729 -0.00141087 0.00675237 33
9806 142 H 34.6347 26.4276 19.3153 -0.0037547 0.0013119 0.0044886 33
9807 143 H 35.0706 26.4215 16.9363 0.000922861 -0.00372143 0.000921681 33
9808 144 H 35.3942 28.3511 20.6873 0.00169356 -0.0115811 -0.0021766 33
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9810 146 H 41.5317 30.4979 17.3872 -0.00270924 -0.000969425 -0.0120784 33
9811 147 H 39.1126 30.661 21.0047 -0.0184666 -0.00363927 -0.0026565 33
9812 148 H 33.855 34.6565 19.1813 -0.00866986 -0.0023029 -0.00865899 33
9813 149 H 34.0813 34.6811 16.7814 -0.0107266 -0.0016483 0.0119663 33
9814 150 H 36.9263 30.8268 15.8611 -0.00294853 -0.00117601 -0.00175235 33
9815 151 H 34.9917 33.0984 20.6013 -0.00107665 0.0111211 -0.000240657 33
9816 152 H 31.0212 30.839 32.7325 -0.00326602 0.026921 -0.0018075 33
9817 153 H 40.599 29.3889 14.9429 0.00296152 0.0089655 0.0042015 33
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9819 155 H 39.5778 29.5171 12.705 -0.0138513 -0.0109177 0.00312093 33
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9821 157 H 37.5733 31.5367 13.6891 -0.00260537 -0.00155446 -0.00637412 33
9822 158 H 37.223 29.8406 13.8092 0.0138274 -0.00237967 0.0110901 33
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9824 160 H 36.2809 29.9096 11.8638 0.0017049 -0.00862252 -0.0176024 33
9825 161 H 38.0848 28.9344 10.6569 -0.000413462 0.000471866 0.0082359 33
9826 162 H 39.1274 30.3837 10.7947 0.000881842 0.00161449 -0.0115337 33
9827 163 H 37.2895 31.5605 9.28951 -0.00554057 -0.00105815 -0.0109959 33
9828 164 H 36.5944 29.9448 9.12873 0.00539919 -0.00386571 -0.00802164 33
9829 165 H 38.7262 29.0758 8.19591 0.00286591 -0.00159736 -0.0153214 33
9830 166 H 39.4065 30.7063 8.31774 -0.00570083 0.00888355 -0.00423796 33
9831 167 H 37.6489 31.4897 6.65468 0.0011826 -0.00354119 -0.0131595 33
9832 168 H 36.8618 29.9334 6.74738 -0.00760818 0.00230369 0.00105551 33
9833 169 H 39.0279 28.8594 5.71663 -0.00781711 -0.0017516 -0.0107479 33
9834 170 H 39.6852 30.4589 5.62504 -0.00152343 0.00288475 0.00385894 33
9835 171 H 37.8199 31.1933 4.17657 -0.0149852 -0.00385636 -0.00445909 33
9836 172 H 37.0258 29.6223 4.33607 -0.00338716 0.012053 0.000760777 33
9837 173 H 38.9555 28.5635 3.0465 0.005625 -0.000213759 0.00432816 33
9838 174 H 39.7721 30.1025 3.07356 0.00163958 -0.00315356 0.00469374 33
9839 175 H 37.8538 30.9975 1.58613 0.00238855 -0.00553687 -0.0110905 33
9840 176 H 37.3069 29.3341 1.346 0.0110472 -0.0086705 -0.00860177 33
9841 177 H 38.9341 29.7464 0.875568 0.000515106 -0.00217986 -0.000988486 33
9842 178 H 37.1696 26.5383 15.5241 -0.009332 -0.00725629 0.00694473 33
9843 179 H 35.5652 26.4302 14.831 0.000891708 0.00355556 -0.0148585 33
9844 180 H 36.2047 27.5664 12.7877 0.00332851 0.0119196 0.00110788 33
9845 181 H 37.9139 27.8319 13.3713 0.00188391 -0.00775682 0.00417784 33
9846 182 H 38.2743 25.3693 13.4134 -0.00662173 -0.0203266 0.00150934 33
9847 183 H 36.6049 25.1051 13.0056 0.00016502 -0.00222465 -0.00796631 33
9848 184 H 36.9262 26.0372 10.7064 0.00290526 -0.00556313 -0.00461314 33
9849 185 H 38.5024 26.6231 11.1761 -0.01094 0.00583791 -0.0117181 33
9850 186 H 39.0393 24.1105 11.6064 -0.0011246 0.00301721 0.000896303 33
9851 187 H 37.5005 23.7146 10.7776 -0.00243718 0.00343973 0.00220291 33
9852 188 H 39.8409 25.3561 9.74933 -0.00723024 0.00908152 0.00375729 33
9853 189 H 39.721 23.6022 9.47983 -0.0120389 -0.0120122 0.00971522 33
9854 190 H 38.9987 24.3258 7.51367 0.00802354 0.00575056 0.00152508 33
9855 191 H 37.4086 24.2613 8.38357 0.00313887 0.00390452 0.000729265 33
9856 192 H 37.5506 26.7843 8.64951 -0.000828381 0.0090741 -0.00935159 33
9857 193 H 39.1628 26.7652 8.00265 0.00856811 -0.014065 0.00464087 33
9858 194 H 36.7151 25.748 6.46219 -0.00837411 0.0113624 0.00803885 33
9859 195 H 37.2306 27.4025 6.41493 0.00895527 0.00601688 0.00287112 33
9860 196 H 39.4536 26.7306 5.39691 0.00146413 0.00289208 0.0032527 33
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9862 198 H 37.0579 25.347 4.02558 -0.0122301 0.0110916 0.00144544 33
9863 199 H 37.5131 27.0496 3.75525 -0.0138006 -0.0095768 -0.0122857 33
9864 200 H 38.3042 25.2432 1.93969 -0.011883 0.00405367 0.00401915 33
9865 201 H 39.4357 26.4617 2.44971 0.00531006 -0.000599317 0.00114543 33
9866 202 H 39.5613 24.8165 3.12151 -0.00640535 -0.00877174 -0.0162701 33
9867 203 H 34.3964 31.5894 14.5163 0.0159162 -0.00714646 0.00376833 33
9868 204 H 33.6942 33.1993 14.8775 0.000643057 0.00256899 -0.00496728 33
9869 205 H 34.5414 34.1855 12.9485 -0.0151678 -0.00389904 0.00620266 33
9870 206 H 35.9484 33.1553 12.823 0.0021649 -0.00922926 0.0121982 33
9871 207 H 34.4694 31.2504 11.9892 -0.00389469 -0.0014969 0.00500047 33
9872 208 H 33.0959 32.354 12.1066 0.000867791 0.0028583 -0.000396799 33
9873 209 H 33.9265 33.8189 10.5022 0.00160996 0.00187096 0.00590652 33
9874 210 H 35.4477 32.998 10.2961 -0.00448211 0.00736295 -0.00847221 33
9875 211 H 34.4534 31.2212 9.04055 -0.00759056 -0.00388759 -0.00639273 33
9876 212 H 32.8383 31.49 9.7829 0.00119258 0.0113619 0.0129646 33
9877 213 H 32.3654 32.4042 7.85353 0.000643456 0.000620672 -0.00298235 33
9878 214 H 33.1476 33.857 8.49772 -0.014362 -0.00453863 0.00116653 33
9879 215 H 34.1286 33.6895 6.38057 0.0136756 0.000482915 -0.000835496 33
9880 216 H 35.3479 32.7944 7.35186 0.00332257 0.00636049 0.00022153 33
9881 217 H 34.4542 30.6059 6.72163 0.00235038 -0.00334708 -0.000300425 33
9882 218 H 33.1066 31.3527 6.00595 0.00365563 0.00200401 -0.0205921 33
9883 219 H 35.9585 31.8472 4.995 -0.00207593 -0.00610603 0.00800199 33
9884 220 H 34.933 30.5898 4.29543 -0.0133792 0.00575042 -0.00808651 33
9885 221 H 33.5092 33.1034 4.28622 -0.003468 0.00172756 -0.00374064 33
9886 222 H 35.1347 33.336 3.63805 -0.0128416 0.0115974 0.000710456 33
9887 223 H 33.2951 31.1317 2.47258 0.0143384 -0.00494157 -0.00690092 33
9888 224 H 33.1192 32.8116 2.04048 -0.000283205 0.000259824 -0.00286046 33
9889 225 H 34.605 31.394 0.536504 -0.00444582 0.004591 -0.00337954 33
9890 226 H 35.4114 32.883 1.18032 -0.00560415 0.00156866 0.000874841 33
9891 227 H 35.7445 31.2895 1.92503 -0.0096756 -0.0125897 -0.000923845 33
9892 228 H 26.1971 30.988 32.8067 -0.00366998 -0.00507997 0.00611526 33
9893 229 H 26.7723 29.397 33.2892 -0.00385055 0.000976385 -0.00486979 33
9894 230 H 27.8066 30.5912 35.3932 0.000575017 0.0104241 0.00678392 33
9895 231 H 27.007 32.0476 34.794 0.00318799 0.00062641 -0.000345862 33
9896 232 H 24.7322 30.8805 34.8495 -0.00841795 0.000906323 0.0144298 33
9897 233 H 25.4729 29.4357 35.4211 -0.00481274 0.00304861 -0.00356408 33
9898 234 H 26.0794 31.9541 36.9909 -0.00987077 -0.000385249 0.00384832 33
9899 235 H 24.3975 31.4807 36.9653 -0.00215874 -0.00150804 0.00104409 33
9900 236 H 24.5997 29.5953 38.1792 -0.00977365 0.0101092 0.00434332 33
9901 237 H 26.2962 29.2438 37.7061 -0.0101173 -0.00847773 0.00126417 33
9902 238 H 27.1374 30.771 39.2639 0.0026981 -0.0192598 -0.00600676 33
9903 239 H 25.6479 31.8102 39.2456 -0.00627612 -0.00401853 0.0142142 33
9904 240 H 24.5185 30.3032 40.6048 -0.000134573 -0.000594647 -0.00947699 33
9905 241 H 25.7674 29.0123 40.3819 -0.00243763 -0.00273524 0.00449814 33
9906 242 H 27.3343 30.6047 41.71 0.00164185 0.00683849 -0.0076556 33
9907 243 H 25.8731 31.6196 41.9805 -0.00446417 0.0012248 0.00965751 33
9908 244 H 24.7458 29.7251 43.2551 0.0028456 -0.00773708 0.00479206 33
9909 245 H 26.011 28.6664 42.8144 0.00620525 -0.000271503 0.0061513 33
9910 246 H 26.529 29.1371 45.0403 0.00196031 -0.00686427 -0.00929246 33
9911 247 H 27.576 30.265 44.3024 -0.00210942 0.00428642 0.00505906 33
9912 248 H 25.8375 32.1322 44.7994 -0.000973923 -0.00134359 -0.00323541 33
9913 249 H 24.6069 30.8892 45.0877 -0.00119593 0.00640989 0.00557114 33
9914 250 H 27.0393 31.5613 46.8197 -0.0071488 0.00962136 0.0119723 33
9915 251 H 25.3234 31.9308 47.1864 -0.00324914 0.00564797 0.00153868 33
9916 252 H 25.882 30.2504 47.1964 -0.00708542 0.00745945 0.00779716 33
9917 253 H 34.211 33.9229 33.913 0.000868791 -0.00526682 0.00212618 33
9918 254 H 33.2628 35.3172 33.3559 0.0260778 -0.00632152 -0.00239859 33
9919 255 H 31.7963 35.2155 35.2958 -0.00121677 0.00433679 0.0122713 33
9920 256 H 32.8083 33.819 35.8919 -0.00356372 -0.00284633 -0.00620588 33
9921 257 H 34.728 35.1983 36.004 0.00546992 0.00988807 -0.00383155 33
9922 258 H 33.926 36.5675 35.2243 -0.00914184 0.00273806 0.00370494 33
9923 259 H 34.3114 36.9834 37.5491 0.00156387 -0.00473494 0.00251426 33
9924 260 H 32.6399 36.9551 37.3071 0.00218231 0.00204792 -0.00730117 33
9925 261 H 32.3636 34.831 38.552 -0.00256596 0.00141586 0.0039861 33
9926 262 H 33.9893 34.3442 38.3724 0.00307126 0.00482141 0.00361233 33
9927 263 H 34.8263 35.9936 39.8967 0.000163856 0.0099237 0.003432 33
9928 264 H 33.3669 36.9087 39.911 -0.0066093 -0.0023936 -0.00737538 33
9929 265 H 32.2259 35.2812 41.2773 0.000533671 -0.00833905 -0.000169477 33
9930 266 H 33.3844 34.0356 40.9918 0.00516152 -0.00134983 -0.0034579 33
9931 267 H 35.136 35.2912 42.3118 0.00128361 0.0130283 0.00943056 33
9932 268 H 34.1611 36.7375 42.2963 0.0107809 0.00234976 0.00697665 33
9933 269 H 32.4337 35.6452 43.7433 -0.00165884 -0.000715305 0.0151595 33
9934 270 H 33.3596 34.1474 43.7957 -0.0246377 0.00586383 0.00959771 33
9935 271 H 35.2579 35.2922 44.8708 0.00193568 0.0129098 -0.00384658 33
9936 272 H 34.4798 36.8377 44.6681 -0.00604017 0.00467037 0.00309395 33
9937 273 H 34.1374 36.5017 46.9549 0.0109593 -0.0044836 -0.00167394 33
9938 274 H 32.5867 36.1179 46.2654 -0.00268523 -0.00209085 0.00835509 33
9939 275 H 33.3857 33.634 46.3445 0.00323371 0.0074877 -0.00525955 33
9940 276 H 34.7162 34.22 47.2951 0.000334391 -0.0110049 0.0072381 33
9941 277 H 33.0132 34.3713 47.9243 -0.00234087 -0.00588627 0.00188468 33
9942 278 H 31.6191 26.3377 33.9717 0.00394028 -0.00601935 -0.00847812 33
9943 279 H 33.3347 26.5115 33.6985 -0.00776383 -0.00719389 0.00133741 33
9944 280 H 31.8622 28.1165 35.7828 0.00895035 -0.00110447 0.00523655 33
9945 281 H 33.6004 28.1401 35.5196 0.00146078 -0.00134873 -0.0151538 33
9946 282 H 33.5434 25.5213 35.8412 -0.00269741 -0.00346535 -0.000753593 33
9947 283 H 31.9376 25.8673 36.582 0.00813685 -0.00963921 0.00756976 33
9948 284 H 33.3639 27.6693 37.9551 0.0161561 0.00805463 -0.00467666 33
9949 285 H 34.7566 26.6494 37.5354 -0.00440111 -0.0115253 -0.00680502 33
9950 286 H 33.7685 24.6889 38.64 -0.00343642 -0.000795772 -0.0166818 33
9951 287 H 32.2596 25.5373 38.883 -0.000308428 -0.00925203 -0.00166718 33
9952 288 H 33.6608 27.3247 40.2298 0.00238045 -0.0053532 -0.0101742 33
9953 289 H 34.9797 26.1987 40.1855 0.0043855 0.00134642 -0.00454121 33
9954 290 H 33.4607 24.4453 41.3111 -0.00465154 -0.00514044 -0.00222872 33
9955 291 H 32.2057 25.7009 41.4472 0.00245688 -0.00665765 0.00395665 33
9956 292 H 33.554 27.1391 42.8208 0.00375997 0.00104146 0.00341258 33
9957 293 H 34.9494 26.0428 42.72 -0.00327864 -0.00429819 0.00768049 33
9958 294 H 33.5025 24.2083 43.6016 -0.00269524 -0.000751444 0.00985043 33
9959 295 H 32.2651 25.4286 43.9947 -0.00540653 -0.0141563 -0.00163457 33
9960 296 H 35.08 25.6009 45.2062 0.00354552 0.00974401 0.0219429 33
9961 297 H 33.7777 24.7104 45.9653 -0.000670589 -0.00718863 -0.00610063 33
9962 298 H 32.5736 26.6334 46.5438 -0.00549994 -0.000942656 -0.0140606 33
9963 299 H 33.3266 27.6557 45.2949 0.0164208 0.0130673 0.00741606 33
9964 300 H 34.1318 28.0961 47.7152 0.00209837 -0.00347793 -0.00183335 33
9965 301 H 35.3923 27.5627 46.5946 -0.00445849 0.0185524 0.000884046 33
9966 302 H 34.6872 26.4222 47.8045 0.0135195 -0.0011098 0.00121026 33
9967 1 C 37.2228 40.7965 30.4752 0.00290819 -0.00281108 0.000661347 34
9968 2 C 37.3555 40.7422 29.0891 0.00108764 -0.00114977 -0.00414897 34
9969 3 C 36.804 39.6698 28.4208 -0.000253625 0.0023087 0.00263081 34
9970 4 C 36.1866 38.6083 29.1317 0.0047505 0.000954076 0.000285512 34
9971 5 C 35.9942 38.7195 30.5264 -0.000924421 -0.00227346 0.00133639 34
9972 6 C 36.5368 39.8066 31.2364 -0.0034323 -0.00285118 0.00291796 34
9973 7 C 31.5134 37.5684 30.0551 0.00105282 -0.00340616 0.00139939 34
9974 8 C 31.7056 37.5051 28.6878 -0.00236493 0.000672872 0.000446095 34
9975 9 C 32.9842 37.418 28.1239 0.00178831 0.00508581 0.00174281 34
9976 10 C 34.0958 37.3942 28.9641 -0.00139841 -0.00355833 -0.00171722 34
9977 11 C 33.9227 37.4501 30.3726 -0.0034605 0.00248204 0.00130042 34
9978 12 C 32.6132 37.524 30.9347 -0.000834818 0.00199312 0.000869572 34
9979 13 C 37.166 34.1208 30.8099 -0.00315777 0.00248238 -0.00186153 34
9980 14 C 37.2875 34.1138 29.4295 -0.000262564 0.00121039 0.000387652 34
9981 15 C 36.7415 35.1295 28.6736 0.000394725 -0.00208762 -0.000886532 34
9982 16 C 36.1477 36.2275 29.2953 -0.00110715 0.000622099 -0.000814683 34
9983 17 C 35.5419 37.3725 28.5022 0.00175024 -0.00199536 -0.00131468 34
9984 18 O 36.2981 34.9918 32.9198 -0.000401971 -0.0018218 -0.000646494 34
9985 19 O 32.4212 37.6292 32.3162 -0.00141588 -0.000522044 0.00108766 34
9986 20 O 36.4385 39.9279 32.6397 -0.00186964 0.0018857 -0.000269724 34
9987 21 C 36.4557 35.1441 31.5147 -0.00322226 -0.00204954 -0.00222086 34
9988 22 C 35.8912 37.3335 27.0502 -0.00498143 -0.00244348 0.00118943 34
9989 23 C 36.4533 37.2604 25.9594 0.00111132 0.00297103 0.000122627 34
9990 24 C 37.2439 37.2611 24.7777 0.00104465 -0.0031559 -0.00133436 34
9991 25 C 38.09 36.1714 24.4481 -0.000985732 0.000632343 0.000269431 34
9992 26 C 38.9238 36.2646 23.3431 0.00154436 0.00109868 -0.000631149 34
9993 27 C 39.0034 37.4508 22.6265 0.000324683 -0.000825961 0.000934216 34
9994 28 C 38.203 38.5452 22.9393 0.0034191 -1.52444e-05 0.00459865 34
9995 29 C 37.3049 38.4424 24.0233 0.000199464 0.0037434 -0.00538014 34
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10225 259 H 36.4392 43.5298 37.1569 -0.00652338 -0.00268605 0.00014736 34
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10229 263 H 37.1745 43.5169 39.4806 -0.0029543 -4.64792e-05 0.0074203 34
10230 264 H 36.2218 42.0391 39.7529 -0.00225852 0.005527 0.0132292 34
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10232 266 H 39.2357 42.2481 40.0747 0.00247416 0.00524534 0.0124641 34
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10250 284 H 38.649 33.9604 37.4624 -0.0039217 0.000181319 0.00280152 34
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10252 286 H 36.0972 32.3984 37.9889 0.00765062 -0.0095676 -0.00286009 34
10253 287 H 36.1388 34.1521 37.8774 -0.0184008 -0.0212024 -0.0167191 34
10254 288 H 36.0909 34.0691 40.0852 0.00806376 0.00140399 0.00108483 34
10255 289 H 37.8167 34.0956 39.9428 -0.00257389 0.00452161 0.00309873 34
10256 290 H 37.5507 31.4127 39.9544 0.0101721 0.00149465 0.011152 34
10257 291 H 35.9602 31.7348 40.6478 0.00261931 -0.0108849 -0.00720936 34
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10259 293 H 37.8332 31.1813 42.2485 -0.00036092 0.00552851 0.014834 34
10260 294 H 35.8772 32.7884 43.1689 0.00395544 0.00365322 0.0145867 34
10261 295 H 37.0713 34.0424 42.7618 0.00984975 -0.00477542 -0.0187204 34
10262 296 H 38.7594 32.9452 44.307 -0.00145313 -0.00468394 0.00421292 34
10263 297 H 37.6336 31.6559 44.556 0.0075712 0.00159009 -0.00620828 34
10264 298 H 36.0141 33.3532 45.5932 0.0013938 -0.00434302 0.010385 34
10265 299 H 37.3027 34.577 45.3998 0.00246533 0.00150201 0.0116839 34
10266 300 H 37.1462 33.5291 47.6716 -0.00230148 -0.000999739 0.0015685 34
10267 301 H 38.7588 33.4615 46.9304 -0.00277853 0.0180245 -0.0128991 34
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10269 1 C 40.9548 33.9708 31.0588 0.00278959 0.0023479 0.00184978 35
10270 2 C 41.0161 33.9243 29.6729 -0.00196795 0.00385868 -0.00405313 35
10271 3 C 40.5143 32.8074 29.0225 0.000661242 -0.000930412 0.00266337 35
10272 4 C 39.9855 31.7459 29.7863 0.00169923 0.00344016 -0.00406117 35
10273 5 C 39.801 31.8236 31.1855 -0.00106507 0.00202928 0.0027926 35
10274 6 C 40.3282 32.9643 31.8427 -0.00489887 0.000509123 -0.000794118 35
10275 7 C 35.2487 30.7935 30.4246 0.00281616 0.00196314 -0.000718079 35
10276 8 C 35.5035 30.7361 29.0491 -0.00300217 0.00519508 0.000513705 35
10277 9 C 36.8102 30.5977 28.5826 0.000593802 -0.00235354 -0.00259906 35
10278 10 C 37.8713 30.632 29.5146 -0.00537362 -0.00216151 -0.00157751 35
10279 11 C 37.6558 30.6596 30.9236 0.00364649 -0.000140817 0.000738274 35
10280 12 C 36.3072 30.7646 31.4006 -0.000874245 0.00337637 0.000218368 35
10281 13 C 40.7516 27.1714 31.4036 0.00211341 -0.001491 -0.00199907 35
10282 14 C 40.9379 27.1417 30.0343 -0.00301669 -0.000408148 0.00539543 35
10283 15 C 40.4474 28.183 29.2734 0.000544419 0.00214172 -0.00105912 35
10284 16 C 39.8692 29.2782 29.8945 -0.00122189 0.00337706 0.00120123 35
10285 17 C 39.3617 30.5285 29.1118 -6.11893e-05 0.000106542 0.00106968 35
10286 18 O 40.02 28.2476 33.4934 -0.000455474 0.00301308 -0.00309819 35
10287 19 O 35.9859 30.73 32.7613 0.00226494 0.00399857 -0.000462727 35
10288 20 O 40.2205 33.1629 33.2035 -0.00244775 -0.00178025 0.00135792 35
10289 21 C 40.1163 28.2675 32.094 -0.00128196 0.00161791 0.00263897 35
10290 22 C 39.6617 30.5172 27.6518 0.000232505 -0.00371477 0.00297594 35
10291 23 C 40.1751 30.4901 26.56 0.00184786 -0.000159216 0.00170845 35
10292 24 C 40.9586 30.466 25.3573 0.000957139 0.00466575 0.00458334 35
10293 25 C 41.3474 31.7363 24.8476 0.000770264 6.87787e-05 0.00234998 35
10294 26 C 42.231 31.8023 23.7296 -2.44718e-05 -0.00339726 0.000738579 35
10295 27 C 42.7893 30.6021 23.217 -0.000573809 3.14856e-05 -0.00218294 35
10296 28 C 42.4647 29.3438 23.8028 0.000354137 -0.00405682 0.0030194 35
10297 29 C 41.5243 29.2912 24.8334 -0.000252058 -0.000334841 0.000378774 35
10298 30 C 43.6184 30.6251 22.0393 -0.00409963 -0.00498404 -0.00308931 35
10299 31 C 44.128 30.6016 20.9392 -0.00159187 -0.000610579 0.00626676 35
10300 32 C 42.7282 27.1395 18.769 -0.00188284 0.00403641 -0.00473768 35
10301 33 C 42.9383 27.0884 17.3612 -0.00522901 -0.00192629 -0.00298561 35
10302 34 C 43.5229 28.1546 16.6735 -0.00106468 0.00107934 -0.000998116 35
10303 35 C 43.9316 29.2938 17.3986 0.000325371 0.000300629 -0.000405293 35
10304 36 C 43.7632 29.309 18.8039 0.000323165 0.000706065 0.00266842 35
10305 37 C 43.1982 28.2389 19.4893 -0.000860838 -0.0032528 -0.000401381 35
10306 38 C 44.3526 30.5618 19.4627 -0.0042048 -0.000528047 -0.000318228 35
10307 39 C 48.1714 30.7714 19.133 0.00333162 0.00397511 0.00269537 35
10308 40 C 48.2839 30.8279 17.7298 -0.000794613 0.00143375 0.00560681 35
10309 41 C 47.1363 30.9298 16.9462 -0.00129905 -0.00278482 -0.00596821 35
10310 42 C 45.8971 30.6916 17.5412 0.00286288 0.000917411 0.00456503 35
10311 43 C 45.7932 30.6154 18.9743 -0.0034993 -0.00198746 0.00133819 35
10312 44 C 46.9389 30.7036 19.7859 0.00145069 0.00262201 0.0032473 35
10313 45 C 42.1993 33.6356 18.5497 0.000770113 -2.94318e-05 -0.00257251 35
10314 46 C 42.3613 33.6615 17.1473 0.00137856 -0.00324725 0.00280141 35
10315 47 C 43.2314 32.7222 16.5585 0.00132409 -0.00116362 -0.00130554 35
10316 48 C 43.7792 31.7012 17.3659 -0.000830774 0.00331642 -0.000340898 35
10317 49 C 44.5599 30.5645 16.8187 -0.00349493 -0.00408744 0.00711028 35
10318 50 C 43.62 31.7144 18.7421 0.00153099 -0.00353362 -0.000591545 35
10319 51 C 42.8557 32.7321 19.3687 -0.000780069 0.00166883 -0.00173411 35
10320 52 O 47.2677 31.2765 15.5965 -0.000535256 0.000908775 0.00025574 35
10321 53 O 43.6983 28.0958 15.2891 -0.000152148 -0.00263841 -0.000773118 35
10322 54 O 43.4165 32.7405 15.2257 0.000193138 0.00203287 0.0034287 35
10323 55 C 38.9608 30.6421 31.7735 0.00568314 0.00408887 0.00052199 35
10324 56 C 39.6747 29.3304 31.3189 -0.00393307 -0.00220854 -0.000326354 35
10325 57 C 47.1133 30.3689 14.4853 -0.00342517 0.000186833 -0.000346835 35
10326 58 C 46.843 31.2325 13.1895 0.00124497 -0.00435616 0.00510012 35
10327 59 C 46.647 30.3861 11.9016 0.00414969 0.00101836 -0.00203534 35
10328 60 C 46.3905 31.1392 10.6008 -0.00449117 0.00329137 0.00204921 35
10329 61 C 46.2341 30.1718 9.42094 -0.000574047 -0.00128216 0.000638373 35
10330 62 C 46.1236 30.8791 8.0609 0.00202826 0.00288644 -0.00421408 35
10331 63 C 46.234 29.9507 6.85461 -0.000114145 -0.000185604 -0.00243325 35
10332 64 C 46.0411 30.6339 5.50249 -0.000890355 0.00148825 0.00141246 35
10333 65 C 46.0508 29.5905 4.38908 -0.00137261 -0.00207226 -0.00356077 35
10334 66 C 45.6096 30.0758 2.99386 -0.00287201 -0.000793349 -0.000488535 35
10335 67 C 46.5603 31.0026 2.24104 -0.000169251 0.000267008 0.00156097 35
10336 68 C 46.2133 31.2872 0.786532 0.00427335 -0.00025789 -0.00230715 35
10337 69 F 42.6318 32.9264 23.1793 -0.00196304 -0.000202595 0.00184945 35
10338 70 C 44.1988 26.9981 14.5234 0.00105776 -0.00112302 -0.000999915 35
10339 71 C 45.0711 27.659 13.4505 0.00132192 -0.000423359 -0.00115051 35
10340 72 C 45.2284 27.081 12.032 0.00187841 0.00236489 -0.00076492 35
10341 73 C 45.4202 25.569 11.9314 0.00145621 -0.000649872 -0.00245265 35
10342 74 C 46.2614 25.1393 10.6981 -0.000783563 -0.00212808 2.98008e-05 35
10343 75 C 45.9751 25.9087 9.37955 -0.00536894 -0.00174062 0.00165538 35
10344 76 C 46.4764 25.1217 8.17002 0.000939449 0.000473092 0.00401908 35
10345 77 C 46.1675 25.8404 6.83768 0.00156193 -0.000896537 0.00227253 35
10346 78 C 46.6077 25.1011 5.56848 0.0020815 0.000735305 -0.000156247 35
10347 79 C 46.4061 26.0154 4.34442 -0.00119994 -0.000125413 -0.00317264 35
10348 80 C 47.1609 25.5061 3.06048 -0.000400996 -0.00196957 0.000559303 35
10349 81 C 46.7683 26.3894 1.88968 0.00180138 0.00302649 0.00389798 35
10350 82 C 42.3823 32.3206 14.2935 -0.00166928 0.00112044 -0.00538145 35
10351 83 C 42.9344 31.0929 13.5549 -0.00354412 0.00482393 -0.00259554 35
10352 84 C 42.6134 30.9745 12.0622 0.0025106 -0.00267663 0.00189514 35
10353 85 C 42.7051 32.2939 11.2072 -0.00218859 0.000153545 -0.00151116 35
10354 86 C 42.475 32.046 9.70569 0.000652535 -0.00171641 0.00297974 35
10355 87 C 42.8908 33.2166 8.77787 -0.00135887 -0.00243963 0.00118756 35
10356 88 C 41.9953 33.6706 7.58769 0.002203 -0.000323386 0.00221728 35
10357 89 C 41.3126 32.5828 6.71986 -0.000396848 0.00527251 0.00184247 35
10358 90 C 42.3645 31.8227 5.87966 -0.00397491 -0.00168901 -0.000602647 35
10359 91 C 42.6364 32.4707 4.49866 -0.00098503 -0.00157002 -0.00345899 35
10360 92 C 41.6274 32.1069 3.41235 -0.00266161 7.08661e-06 0.00333533 35
10361 93 C 41.9247 32.6844 2.02647 0.00259891 -0.00271824 -0.00384045 35
10362 94 C 34.6436 31.0549 33.2422 0.000628097 -0.000730583 -0.00275957 35
10363 95 C 34.4777 30.7734 34.7323 0.0010528 -0.00126486 -0.003637 35
10364 96 C 33.0182 30.9142 35.1535 0.00286615 -0.00174207 -0.00071095 35
10365 97 C 32.761 30.653 36.6566 -0.00374659 -0.00513679 -0.00232652 35
10366 98 C 33.7442 31.3865 37.5881 -0.00289046 -0.00194292 -0.00352096 35
10367 99 C 33.3093 31.4809 39.08 -6.54676e-05 -0.000478851 0.0013793 35
10368 100 C 33.5675 30.166 39.8235 -0.00279312 0.00226018 0.00349591 35
10369 101 C 33.0391 30.0824 41.2874 -0.00201056 -0.000964521 0.000752514 35
10370 102 C 33.7444 30.9078 42.3644 0.00189942 -0.00372425 -0.000723792 35
10371 103 C 33.2975 30.5445 43.7762 -0.000910478 -0.00163738 -0.00215104 35
10372 104 C 34.188 31.1435 44.8895 0.00025009 0.00112422 -0.00417188 35
10373 105 C 33.7459 30.8376 46.2819 0.00441828 -0.000650116 -0.00234188 35
10374 106 C 40.9116 34.2814 33.7502 0.00300894 0.00383064 0.00110949 35
10375 107 C 40.7755 34.5129 35.2918 -0.00210479 0.000403259 0.00243068 35
10376 108 C 41.475 35.8422 35.6827 0.00030973 0.00309498 0.00478261 35
10377 109 C 41.385 36.2732 37.1559 0.00368204 0.00202454 0.00378835 35
10378 110 C 42.239 35.3927 38.0696 0.00154792 -0.00310836 -0.000707611 35
10379 111 C 42.0259 35.5865 39.5792 0.00183773 -0.00113099 -0.00568557 35
10380 112 C 40.5802 35.2399 40.0869 0.000534866 0.000871 0.00192613 35
10381 113 C 40.4603 34.6673 41.5315 -0.000216634 0.00178773 0.00278261 35
10382 114 C 41.126 35.5413 42.6299 0.00574405 -0.00164822 -0.0012153 35
10383 115 C 40.7814 34.9616 44.0373 -0.00123319 -0.00269123 -0.00169097 35
10384 116 C 41.3963 35.7647 45.1645 0.000935508 -0.00566229 5.91496e-05 35
10385 117 C 40.9377 35.2932 46.5139 -0.000228799 -0.000378203 0.00254081 35
10386 118 C 40.3649 27.0088 34.2102 0.000283948 -0.00293458 0.00108549 35
10387 119 C 40.1238 27.0248 35.7374 -0.00037206 0.00168849 -0.00384076 35
10388 120 C 41.2841 26.4666 36.5963 -0.00125426 0.00139962 0.00138644 35
10389 121 C 40.9992 26.4223 38.0998 -0.000587295 0.00271347 -7.43228e-05 35
10390 122 C 42.268 25.9321 38.8363 -0.0036233 0.0042453 0.00171231 35
10391 123 C 42.2747 26.0951 40.3577 0.000181243 0.00309902 0.00403076 35
10392 124 C 41.2193 25.2734 41.1148 -0.00122487 -0.00215838 0.00163094 35
10393 125 C 41.4637 25.1446 42.625 -0.00101079 0.00021048 0.00398515 35
10394 126 C 41.5849 26.4877 43.3472 -0.00133517 0.00256426 0.00312575 35
10395 127 C 41.2962 26.454 44.8565 -0.00262128 0.0044918 0.00187697 35
10396 128 C 42.3234 25.6053 45.6299 0.00356646 0.0037837 -0.00438243 35
10397 129 C 42.1855 25.8024 47.1279 -0.00273307 0.000414535 0.000219464 35
10398 130 F 40.8558 32.9162 25.3713 -0.00210738 -0.00143817 -0.00156687 35
10399 131 H 41.2587 34.9281 31.4719 -0.00596668 0.00411254 0.00424519 35
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10401 133 H 40.6356 32.7838 27.9435 -0.00659197 0.00416859 0.00174694 35
10402 134 H 34.2114 30.8679 30.7377 0.00478731 0.00668924 0.0047065 35
10403 135 H 34.6798 30.6721 28.3442 0.00560928 0.0136579 -0.0103021 35
10404 136 H 37.0036 30.5449 27.5153 0.00908415 0.00684639 -0.00152472 35
10405 137 H 41.0639 26.2997 31.971 0.0105154 0.00399989 0.00181176 35
10406 138 H 41.3183 26.2443 29.5555 -0.00515983 -0.00505109 0.0123747 35
10407 139 H 40.4775 28.1699 28.1879 0.00243311 -0.0130606 -0.000786403 35
10408 140 H 42.8812 28.4097 23.4376 -0.00849786 -0.00170412 -0.0130731 35
10409 141 H 41.3142 28.313 25.2558 0.00258 0.00198461 0.00714678 35
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10412 144 H 43.0715 28.2563 20.5678 0.0071334 -0.000806956 0.000495521 35
10413 145 H 49.0703 30.6959 19.7377 -0.00268215 -0.00516817 0.0105201 35
10414 146 H 49.2647 30.8868 17.2673 -0.00106015 0.0111829 0.00628207 35
10415 147 H 46.8733 30.6965 20.8699 -0.0124079 0.00474383 0.00242934 35
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10417 149 H 41.8873 34.4255 16.5381 0.00037131 -0.00214823 0.00496692 35
10418 150 H 44.6601 30.5936 15.7267 -0.0174299 0.00308319 0.00602967 35
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10420 152 H 38.7611 30.7029 32.8504 0.00525325 -0.00128458 0.000747487 35
10421 153 H 48.0121 29.7469 14.3921 -0.00201357 0.00511203 -0.0194668 35
10422 154 H 46.2707 29.6971 14.6905 -0.0128167 0.011168 -0.00300375 35
10423 155 H 47.6399 31.9793 13.0857 -0.00942933 0.00781745 0.0104372 35
10424 156 H 45.9666 31.8702 13.3594 0.00340389 0.00465681 -0.017564 35
10425 157 H 45.739 29.7805 12.012 0.00796599 -0.00619913 -0.010209 35
10426 158 H 47.4829 29.7083 11.6889 0.0156067 0.0113265 0.0103108 35
10427 159 H 47.1841 31.8639 10.3806 0.000791766 -0.0024888 0.00206615 35
10428 160 H 45.4379 31.6705 10.717 -0.0144427 -0.0143764 0.00143803 35
10429 161 H 45.3239 29.5859 9.59906 0.00661829 -0.010151 0.0082191 35
10430 162 H 47.0711 29.4634 9.44986 -0.0121503 -0.0149437 0.00127576 35
10431 163 H 46.8828 31.6693 8.00949 -0.000200958 0.00532898 0.000282177 35
10432 164 H 45.17 31.4133 7.96755 -0.00018068 -0.000262563 0.000441719 35
10433 165 H 45.5389 29.1115 6.98109 0.0069009 -0.00500932 0.00419459 35
10434 166 H 47.2358 29.5042 6.87773 -0.00605492 -0.0130068 0.0075669 35
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10438 170 H 47.063 29.1716 4.33135 0.00238695 0.00383174 0.0194207 35
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10440 172 H 45.4539 29.1839 2.37443 0.0181952 -0.00906779 0.0061107 35
10441 173 H 47.5454 30.52 2.25281 -0.00251435 -0.00454938 0.000877159 35
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10443 175 H 45.1971 31.6994 0.75727 0.00419663 -0.00100754 -0.00971275 35
10444 176 H 46.3109 30.3871 0.167139 -0.0195487 -0.0134833 0.0131443 35
10445 177 H 46.865 32.0966 0.434971 -0.0163961 0.00758492 -0.0225707 35
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10447 179 H 43.3798 26.4217 14.0756 0.00610595 -0.0156405 0.00843262 35
10448 180 H 44.6179 28.6426 13.2755 -0.00286728 -0.00142897 0.0040616 35
10449 181 H 46.0445 27.8289 13.927 0.00389791 -0.0261804 0.00275454 35
10450 182 H 44.382 27.4314 11.4285 -0.00558601 -0.000489225 0.00805921 35
10451 183 H 46.0806 27.5685 11.5427 -0.0056466 0.01648 0.000206434 35
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10458 190 H 47.5493 24.9203 8.27791 -0.00247313 -0.0178027 0.00381546 35
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10464 196 H 45.3317 26.1545 4.17196 -0.00420587 -0.00705093 0.00993257 35
10465 197 H 46.82 27.0082 4.55965 -0.00669853 -0.00139032 0.0131273 35
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10470 202 H 47.0668 27.4264 2.08682 3.8523e-05 0.00329549 0.00514459 35
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10473 205 H 44.0236 31.0603 13.6814 -0.00355984 -0.00828586 -0.00581466 35
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10475 207 H 43.2846 30.2016 11.6679 0.00250894 -0.00275125 0.0020381 35
10476 208 H 41.6056 30.5592 11.9396 0.000544129 0.0055883 -0.0099412 35
10477 209 H 41.9441 33.0318 11.4898 0.000797019 0.00220774 0.00115016 35
10478 210 H 43.6786 32.7814 11.3423 -0.00535032 0.00479404 0.0045029 35
10479 211 H 43.1073 31.1936 9.42809 -0.00116931 0.00248463 -0.014037 35
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10482 214 H 43.8333 32.938 8.29047 -0.00235573 0.000371126 -0.00235516 35
10483 215 H 41.2091 34.3346 7.96772 0.00295266 0.006083 -0.00742671 35
10484 216 H 42.6214 34.3033 6.94652 -0.00459445 0.00369183 -0.000466741 35
10485 217 H 40.7221 31.8707 7.30943 -0.000166805 -0.000291376 -0.00463409 35
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10487 219 H 43.3324 31.8005 6.3954 -0.00744876 -0.00399696 0.00578767 35
10488 220 H 42.0651 30.7724 5.77694 0.00299516 -0.00449161 0.00766535 35
10489 221 H 42.6429 33.5639 4.58935 0.000199328 -0.00130313 -0.00674231 35
10490 222 H 43.6219 32.1438 4.14468 0.00259722 0.00921277 -0.00341941 35
10491 223 H 41.6716 31.0222 3.25452 0.00409864 0.000286063 0.00330134 35
10492 224 H 40.6218 32.363 3.76821 -0.000785644 0.00281415 0.00662238 35
10493 225 H 42.0636 33.7635 2.16684 -0.00555008 -0.00235563 0.00146166 35
10494 226 H 42.8341 32.2647 1.57907 0.0136094 0.0140564 0.00284277 35
10495 227 H 41.1528 32.4188 1.29367 0.000576807 -0.0169961 0.00344323 35
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10497 229 H 33.9315 30.4021 32.7223 0.00241941 0.00100239 -0.00739764 35
10498 230 H 34.8079 29.7636 35.0054 -0.00234236 -0.00134428 0.00018603 35
10499 231 H 35.1138 31.5259 35.2145 -0.00948312 0.00853217 -0.00500996 35
10500 232 H 32.6414 31.9239 34.9489 0.00789455 -4.16457e-05 -0.00154899 35
10501 233 H 32.3758 30.2902 34.5201 -0.0140456 0.0138321 0.0010656 35
10502 234 H 31.734 30.8749 36.9721 -0.00349545 -0.000546248 -0.00477165 35
10503 235 H 32.8545 29.5881 36.9029 0.00273842 -0.00371092 0.00136076 35
10504 236 H 34.6941 30.8438 37.507 0.00242497 0.00756543 -0.00480594 35
10505 237 H 33.9128 32.4104 37.2322 0.00329811 -0.000940889 0.00227492 35
10506 238 H 33.9344 32.1994 39.6245 -0.00739695 0.00662672 0.000364635 35
10507 239 H 32.2441 31.7335 39.1496 -0.000998939 -0.00176991 -0.00823661 35
10508 240 H 33.0688 29.3652 39.2637 0.00661748 0.00194027 -0.0044257 35
10509 241 H 34.6422 29.9478 39.7935 -0.00340308 -0.00046901 0.00141236 35
10510 242 H 31.9562 30.2479 41.3456 -0.00182659 -0.00336234 0.0111176 35
10511 243 H 33.1814 29.0257 41.5454 -0.00582175 -0.00318071 -0.00617972 35
10512 244 H 34.8355 30.8142 42.3003 0.00102689 -0.0139948 -0.000292759 35
10513 245 H 33.5547 31.9753 42.1969 -0.00899227 -0.00507729 0.00303173 35
10514 246 H 32.2544 30.8612 43.8988 -0.00340995 -0.0109293 0.00058784 35
10515 247 H 33.333 29.4574 43.9187 0.00921694 -9.25892e-05 0.00722847 35
10516 248 H 35.2405 30.8576 44.7711 -0.000922528 -0.0066492 0.00425614 35
10517 249 H 34.1638 32.234 44.7726 -0.0061566 0.00238751 0.00897244 35
10518 250 H 32.7533 31.2516 46.498 0.000406345 -0.0118734 0.000721804 35
10519 251 H 33.7286 29.7479 46.4071 -0.00335574 0.000273278 0.00461747 35
10520 252 H 34.3933 31.2416 47.07 -0.00716829 0.00634545 0.00360594 35
10521 253 H 41.982 34.2122 33.5203 0.00193146 0.00120566 -0.00308305 35
10522 254 H 40.5268 35.2104 33.3117 0.0180711 0.0120679 0.00529496 35
10523 255 H 39.7068 34.5743 35.5315 -0.00133352 0.00427331 0.00487085 35
10524 256 H 41.2531 33.6653 35.7987 -0.00375337 0.00765632 0.0160438 35
10525 257 H 42.5326 35.9216 35.4026 -0.00100305 -0.00814409 -0.00322498 35
10526 258 H 40.9953 36.641 35.1037 0.00500644 0.0005881 -0.00255875 35
10527 259 H 41.7311 37.3007 37.3224 -0.00491129 0.00697283 -0.0091128 35
10528 260 H 40.3518 36.1612 37.5072 0.000637699 0.00355791 -0.00471675 35
10529 261 H 42.0777 34.3427 37.796 0.0227415 -0.00503706 -0.00578999 35
10530 262 H 43.2783 35.6611 37.843 0.00483056 -0.0162752 -0.00115603 35
10531 263 H 42.7513 34.9822 40.1378 0.00412269 -0.00262018 -0.0102661 35
10532 264 H 42.2294 36.6477 39.7684 0.00865581 -0.00547296 0.0112251 35
10533 265 H 40.0633 36.2065 40.132 0.00660829 0.00406698 0.00321783 35
10534 266 H 40.0243 34.5977 39.3927 -0.00420637 -0.00352049 0.00977631 35
10535 267 H 39.3907 34.5869 41.7612 -0.00165029 0.00787778 -0.00174586 35
10536 268 H 40.909 33.6663 41.5438 0.00233082 0.00280922 -0.00626224 35
10537 269 H 42.2154 35.5764 42.5055 0.0036005 -0.00122943 -0.0197826 35
10538 270 H 40.8266 36.5957 42.5864 0.00655765 -0.00147262 -0.00255846 35
10539 271 H 39.6999 35.035 44.2056 0.0014196 -0.00802216 0.0178267 35
10540 272 H 41.0209 33.894 44.1163 -0.00946565 -0.00550415 -0.0146293 35
10541 273 H 42.4902 35.6839 45.146 0.00167021 0.002277 0.00875178 35
10542 274 H 41.1005 36.81 45.0123 0.00825185 -0.0030676 0.00369037 35
10543 275 H 39.8468 35.3341 46.6221 -0.0012965 -0.00319377 -0.00726389 35
10544 276 H 41.3113 34.2909 46.7572 -0.000450603 -0.00197906 -0.00371739 35
10545 277 H 41.3296 36.0298 47.2261 0.00919826 0.000353913 -0.00339502 35
10546 278 H 39.7391 26.1842 33.8472 -0.00552416 0.00379685 -0.00416332 35
10547 279 H 41.3927 26.6968 33.9871 0.0004616 -0.00184685 0.000384054 35
10548 280 H 39.2253 26.4395 35.9686 0.00250631 0.000545941 0.00447243 35
10549 281 H 39.9533 28.0426 36.1096 0.0110123 -0.0059568 0.022317 35
10550 282 H 42.2196 27.0243 36.4653 0.00573111 -0.00735001 0.0137178 35
10551 283 H 41.5235 25.4726 36.1988 -0.00178651 0.00692956 -0.0128126 35
10552 284 H 40.196 25.7189 38.3517 -0.00196075 0.00171004 -0.00730954 35
10553 285 H 40.6847 27.3932 38.5023 -0.0107019 0.00211106 -0.00653209 35
10554 286 H 43.1401 26.5007 38.4907 0.000709406 -0.0116061 -0.0133773 35
10555 287 H 42.4774 24.8789 38.6118 -0.00615148 0.00694099 -0.013182 35
10556 288 H 42.1658 27.1665 40.5669 -0.0208391 0.00164406 0.000610829 35
10557 289 H 43.2503 25.7053 40.6734 0.000358353 -0.00503027 -0.00644853 35
10558 290 H 41.1737 24.2518 40.7178 0.00805745 0.00389336 -0.0149777 35
10559 291 H 40.2303 25.6982 40.9032 -0.00943967 -0.0187358 0.00671635 35
10560 292 H 42.3989 24.6186 42.8534 8.91376e-05 -0.00562248 -0.0141347 35
10561 293 H 40.6611 24.5779 43.1128 0.0126087 -0.0183352 0.00485676 35
10562 294 H 40.8161 27.138 42.9118 0.00212254 0.00430584 -0.000367924 35
10563 295 H 42.5788 26.9234 43.1869 -0.00254567 0.00434749 0.000484002 35
10564 296 H 40.276 26.1521 45.1236 -0.00313242 -0.00130574 -0.00669521 35
10565 297 H 41.409 27.4826 45.2208 0.000827061 0.00562963 -0.00239883 35
10566 298 H 43.332 25.897 45.312 0.0073726 0.0213507 0.023805 35
10567 299 H 42.1776 24.5466 45.3823 0.00419318 0.00489698 -0.009512 35
10568 300 H 42.8561 25.0983 47.6358 0.00412353 0.010942 0.00574643 35
10569 301 H 41.1796 25.6581 47.5412 -0.00673499 0.0116959 -0.00557062 35
10570 302 H 42.4219 26.8291 47.4337 -0.0128655 0.0038068 -0.00327929 35
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10572 2 C 45.3353 40.6328 30.0502 -0.00159536 0.00270964 0.00241291 36
10573 3 C 44.8339 39.5826 29.2618 -0.00420684 0.0015762 -0.000120688 36
10574 4 C 44.0923 38.549 29.8674 0.00158195 -0.000628231 -0.00294511 36
10575 5 C 43.8336 38.5883 31.2691 -0.000448992 0.00432745 -0.00030124 36
10576 6 C 44.2629 39.6582 32.0419 -0.00144693 0.0016111 -0.00307988 36
10577 7 C 39.3232 37.5849 30.3353 -0.000297412 0.00110833 -0.0030801 36
10578 8 C 39.5735 37.5435 28.991 -0.000526089 -0.00243796 0.00594713 36
10579 9 C 40.889 37.5293 28.5565 0.00272255 -0.00335391 -0.000274534 36
10580 10 C 41.92 37.4112 29.4903 -0.000946124 0.00334433 0.000561453 36
10581 11 C 41.6922 37.4537 30.8885 -0.00525625 0.00050447 0.0051217 36
10582 12 C 40.3679 37.5227 31.3082 -0.00101907 0.000543422 0.00121951 36
10583 13 C 44.8252 33.9931 31.4514 -0.000108905 -0.000411993 -0.00329947 36
10584 14 C 45.0124 33.9867 30.0574 0.00376911 -0.000864958 -0.00121639 36
10585 15 C 44.533 35.068 29.2947 0.00177206 -0.000365343 0.00299205 36
10586 16 C 43.9083 36.1248 29.9452 -0.00248819 0.0015459 -0.00116382 36
10587 17 C 43.4155 37.3503 29.1544 0.0019645 -0.00281687 0.0010274 36
10588 18 O 44.2167 35.0873 33.516 -0.00222486 0.000613074 -0.00130802 36
10589 19 O 40.0945 37.5065 32.651 0.00162112 -0.00198124 -0.00160381 36
10590 20 O 43.8473 39.7374 33.3408 -0.00115477 0.00180678 -0.00185778 36
10591 21 C 44.2902 35.1169 32.1192 0.00258499 0.00157615 0.00167003 36
10592 22 C 43.7426 37.2934 27.755 0.00112051 -0.00209209 -0.00107086 36
10593 23 C 44.2529 37.2877 26.6427 -0.00276458 -0.000777745 -0.000575835 36
10594 24 C 45.0638 37.292 25.4859 0.000712043 -0.00361869 0.000664691 36
10595 25 C 45.5052 38.4928 24.9037 -0.00209119 0.00105284 5.4804e-05 36
10596 26 C 46.3661 38.4793 23.8125 0.00175039 0.00114243 4.30193e-05 36
10597 27 C 46.8162 37.2675 23.3023 -0.00421896 -0.00151576 0.00531322 36
10598 28 C 46.3685 36.0604 23.8804 -0.000629203 -0.000901968 -0.000830525 36
10599 29 C 45.4911 36.0561 24.9809 -0.00224859 0.00057255 0.000182764 36
10600 30 C 47.5212 37.1582 22.0914 0.000730678 -0.00078012 0.000316946 36
10601 31 C 48.0106 37.2181 20.9974 0.000738514 0.0022628 0.00319858 36
10602 32 C 46.2617 34.0744 18.7147 0.000435303 0.00117362 -0.00187151 36
10603 33 C 46.4194 34.0796 17.3223 0.00237654 -0.00202409 -0.000116176 36
10604 34 C 47.1963 35.0499 16.7119 0.0013019 -0.00055482 0.00661538 36
10605 35 C 47.737 36.0857 17.4681 0.00196562 0.000824955 -0.00422678 36
10606 36 C 47.5544 36.0918 18.8475 0.00283673 0.000379805 0.0027988 36
10607 37 C 46.8325 35.075 19.4924 -0.0037468 -0.00200777 0.00161209 36
10608 38 C 48.2631 37.2677 19.5467 -0.000219081 -0.0011597 -0.00102118 36
10609 39 C 52.1271 37.4716 19.3021 -0.00214908 0.00178554 0.00309474 36
10610 40 C 52.225 37.5101 17.9051 -0.00204843 0.00139655 0.000101628 36
10611 41 C 51.086 37.4086 17.078 -0.000443814 -0.00402926 2.07442e-05 36
10612 42 C 49.8356 37.265 17.6892 -0.000939885 0.0002753 -0.00158418 36
10613 43 C 49.7258 37.2766 19.0931 0.00152083 -0.00283938 0.00197153 36
10614 44 C 50.8511 37.4045 19.8817 -0.00261927 -0.00253566 5.976e-05 36
10615 45 C 46.611 40.6943 18.6907 -0.000146899 0.00820519 -0.00165051 36
10616 46 C 46.8252 40.6542 17.2989 0.00127674 -0.000990428 -0.00256773 36
10617 47 C 47.4181 39.5729 16.6755 0.00253545 0.000201593 -0.000729813 36
10618 48 C 47.7912 38.4508 17.423 0.00117379 0.00129113 -0.000567078 36
10619 49 C 48.5135 37.2598 16.9009 -0.00202356 0.0020129 0.000233238 36
10620 50 C 47.6387 38.4931 18.8503 -0.00115241 0.00037416 0.00692777 36
10621 51 C 47.0205 39.6121 19.4705 0.00146407 0.00246621 0.0018961 36
10622 52 O 51.1748 37.4904 15.734 -0.00378031 -0.000274004 0.00154256 36
10623 53 O 47.4192 35.0123 15.3552 -0.00484213 0.000259307 0.000661253 36
10624 54 O 47.6457 39.5995 15.3478 -0.00227153 0.000240942 0.000155328 36
10625 55 C 42.9647 37.4069 31.7806 0.00352281 0.000541561 0.00146088 36
10626 56 C 43.7743 36.1546 31.3588 -0.0043006 -0.000291446 -0.00127135 36
10627 57 C 51.8419 36.4324 15.0287 2.15381e-05 0.00407373 0.000628366 36
10628 58 C 51.0136 35.789 13.9378 -0.00130021 -0.00203995 -0.000947916 36
10629 59 C 50.5332 36.7271 12.8151 -0.000785137 0.001021 0.00651141 36
10630 60 C 50.3569 36.0051 11.4343 0.0012974 0.000831899 -0.0020239 36
10631 61 C 49.935 36.8706 10.2316 -0.00332803 -0.000883339 0.00171042 36
10632 62 C 50.0065 36.1244 8.91376 0.00138934 -0.00181659 -0.00319416 36
10633 63 C 49.6712 36.9676 7.62169 -0.00320992 0.0019607 -0.00399653 36
10634 64 C 49.8498 36.1301 6.35504 0.00272211 0.0044447 -0.00343055 36
10635 65 C 49.6567 36.9234 5.0198 0.00460118 -0.00167674 0.00354843 36
10636 66 C 49.7614 35.9532 3.82938 -0.00244599 0.000530921 -0.000959257 36
10637 67 C 50.3267 36.6077 2.53741 0.0012801 -0.00192327 -0.000285384 36
10638 68 C 49.4537 37.7053 1.98722 -0.0039528 -0.000839979 0.00171495 36
10639 69 F 46.7206 39.6339 23.1885 0.00333751 -0.000761726 -0.00122589 36
10640 70 C 46.3558 34.8408 14.4371 -0.00114747 0.00356576 -0.000170399 36
10641 71 C 46.9756 34.9685 13.0213 0.00324913 0.000895927 -0.00136733 36
10642 72 C 46.0509 34.6274 11.8382 0.00159462 -0.00053847 0.000312254 36
10643 73 C 46.8115 34.8611 10.5025 -0.000573381 0.000265073 -0.0034041 36
10644 74 C 45.8789 34.6466 9.279 0.00368982 0.000960022 -0.00213956 36
10645 75 C 46.5642 35.008 7.96085 -0.000867504 9.59715e-05 -0.00454838 36
10646 76 C 45.6627 34.7173 6.76535 0.00329617 -0.000762106 0.00324781 36
10647 77 C 46.3489 34.9004 5.41457 0.00119233 0.00519806 -0.00183541 36
10648 78 C 45.5142 34.3264 4.26678 0.00328153 0.00201327 0.00113168 36
10649 79 C 46.0062 34.8084 2.85628 -0.00147605 0.00055175 -0.000630157 36
10650 80 C 44.8996 34.5308 1.82899 -6.07857e-06 0.00394587 0.00273494 36
10651 81 C 45.3069 34.8464 0.379378 -0.00132146 0.00139781 -0.00197257 36
10652 82 C 48.8669 40.1482 14.8189 0.00360903 0.00336315 -0.00184739 36
10653 83 C 48.7533 40.0963 13.2987 0.000274343 -0.0013996 -0.00495279 36
10654 84 C 49.7361 40.9491 12.4564 0.00511479 -0.00415249 0.000892104 36
10655 85 C 49.5146 40.7261 10.9497 -0.00208489 0.00478306 0.00305141 36
10656 86 C 50.432 41.6798 10.1622 -0.00731239 0.0034652 -0.00226455 36
10657 87 C 50.6768 41.412 8.63588 -0.000165543 0.00344923 0.00409572 36
10658 88 C 49.6199 40.5285 7.94593 0.00229889 0.00306699 0.00525755 36
10659 89 C 49.9685 40.2564 6.45451 0.0037793 0.00123123 0.00263773 36
10660 90 C 49.9546 41.4376 5.46307 0.00100423 -0.000694397 0.000477813 36
10661 91 C 49.7588 40.956 4.01118 0.000879742 0.000725025 -0.000311689 36
10662 92 C 49.7624 42.1139 3.03839 -0.00143464 -2.51428e-06 -0.000201113 36
10663 93 C 49.7641 41.6537 1.56179 -0.0012153 -0.0025641 -0.00566262 36
10664 94 C 38.6588 37.4151 33.0411 -6.73689e-05 0.00380541 -0.00104276 36
10665 95 C 38.4549 37.3283 34.5473 0.000557022 0.00294474 0.00184471 36
10666 96 C 37.0124 37.5743 35.0397 -0.0019418 -0.00148566 -0.000893639 36
10667 97 C 37.0217 37.977 36.5454 0.00299729 -0.00102182 0.00185367 36
10668 98 C 37.3959 36.7989 37.5327 0.00299318 -0.00174011 0.000513692 36
10669 99 C 37.7923 37.1798 38.9508 -0.000696503 0.000303253 0.00221696 36
10670 100 C 36.8839 38.1753 39.6908 0.00700197 0.00086991 -0.00169316 36
10671 101 C 36.9751 38.0893 41.2346 0.0033361 -0.00121681 -0.00496534 36
10672 102 C 38.3959 37.9823 41.8341 -0.00120418 0.00439121 0.00159624 36
10673 103 C 38.4641 38.2514 43.321 0.00270243 0.00245284 0.0010995 36
10674 104 C 37.505 37.3938 44.175 -0.000513036 -0.00265111 0.00270209 36
10675 105 C 37.794 37.6417 45.676 -0.00309462 -0.0051275 -0.00170712 36
10676 106 C 43.5783 41.0006 33.9205 -0.000514818 0.00110266 -0.00026852 36
10677 107 C 44.7538 41.3771 34.8316 0.00250607 0.0048069 0.00200283 36
10678 108 C 44.283 42.1321 36.1264 -0.000343671 -0.000217543 0.00596043 36
10679 109 C 45.2942 42.0335 37.2797 -0.000896677 -0.00181813 -0.00627878 36
10680 110 C 44.6128 41.99 38.6198 0.00344785 3.45661e-05 0.00258779 36
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10683 113 C 45.782 42.1469 42.3305 -0.00133784 -0.000240098 0.00075993 36
10684 114 C 45.0072 41.9642 43.6529 -0.00293235 -0.00536873 0.00230287 36
10685 115 C 45.9203 42.1223 44.8645 0.00343471 -0.000169815 0.000348622 36
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10877 5 C 3.12121 6.2426 79.9691 -0.00291376 0.00316878 -0.000183704 37
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10889 17 C 2.59096 4.92422 77.9098 -0.00217501 0.000845451 0.00348824 37
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10894 22 C 2.65673 4.84212 76.4231 0.00381799 0.00218422 -0.000195093 37
10895 23 C 2.49986 4.57802 75.2387 0.000789813 -0.000148468 0.00295605 37
10896 24 C 2.16095 4.15979 73.9121 -0.000402737 0.0049004 0.00212605 37
10897 25 C 1.32157 4.97123 73.0897 0.000391543 0.00141349 0.00110259 37
10898 26 C 0.866918 4.44011 71.8656 0.00633315 0.000571046 -0.00162401 37
10899 27 C 1.18322 3.1571 71.4688 0.00157418 -0.000319359 0.00203247 37
10900 28 C 2.00709 2.37189 72.2677 8.01603e-05 0.00218371 0.0021219 37
10901 29 C 2.49956 2.84624 73.4982 -0.000376146 0.00140132 0.00160325 37
10902 30 C 0.788053 2.76804 70.1211 -0.000409677 -2.25897e-05 0.00148131 37
10903 31 C 0.499358 2.50756 68.9765 0.00118931 0.00495928 0.000125386 37
10904 32 C -1.35767 -1.10261 67.125 -0.00249385 0.00100338 -0.000844863 37
10905 33 C -1.40607 -1.14236 65.6907 -0.00145146 -0.00143269 0.00435061 37
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11906 128 C 17.3628 8.70892 95.3256 0.00698756 -0.00404771 -0.00237766 40
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11951 173 H 11.6455 7.55661 50.5159 0.00428428 -0.00269821 -0.00344992 40
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11953 175 H 11.3698 9.93421 49.9273 -0.00606023 -0.00981125 0.00715126 40
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11956 178 H 9.74409 7.68053 63.1002 5.16618e-05 0.00159615 -0.00183994 40
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11959 181 H 9.08974 5.5435 62.1298 0.0117374 -0.00914434 0.00786574 40
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11962 184 H 9.92778 4.63031 59.1982 -0.0196889 -0.0110874 0.00950954 40
11963 185 H 8.3061 5.09513 59.6659 0.00555242 0.0003623 0.0176685 40
11964 186 H 8.39466 7.05715 57.9815 -0.00713686 -0.00446727 0.0116869 40
11965 187 H 10.0313 6.57526 57.5764 0.00651329 -0.00774085 -0.00161066 40
11966 188 H 9.31866 4.40774 56.7726 0.000147654 0.0039465 4.29477e-05 40
11967 189 H 7.59716 4.81722 56.9838 -0.0024401 0.0103363 0.00531728 40
11968 190 H 7.84042 6.80915 55.4785 -0.000156355 -0.00356911 0.00233169 40
11969 191 H 9.58364 6.43806 55.3832 -0.00377838 0.0149406 0.00132575 40
11970 192 H 9.26258 4.38199 54.2353 0.000227884 -0.00574491 0.0111064 40
11971 193 H 7.4931 4.48753 54.3714 -0.00237385 0.00440905 0.00407722 40
11972 194 H 7.66793 6.74257 53.0909 0.00577177 0.00120763 0.012791 40
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11988 210 H 13.9587 14.2089 58.9394 -0.000620017 -0.00717089 -0.00621183 40
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11990 212 H 12.601 11.533 58.3419 0.00869688 0.00515881 0.0134725 40
11991 213 H 11.4809 13.4158 56.9764 0.00477728 0.00699608 0.0013357 40
11992 214 H 13.0533 14.0282 56.6321 -0.00550675 0.00526469 0.00357839 40
11993 215 H 12.3696 11.098 55.8682 -0.000181959 0.000497399 0.00802059 40
11994 216 H 11.7311 12.4579 54.9387 0.00130224 -0.00108492 -0.00137514 40
11995 217 H 14.719 12.6016 55.4341 0.0137941 -0.00553271 -0.00884083 40
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11998 220 H 14.7374 13.2816 53.1174 -0.00151688 -0.000383079 -0.00391024 40
11999 221 H 13.5898 11.27 52.2186 0.00526809 -0.00247801 0.00648018 40
12000 222 H 12.0764 11.9143 52.8127 0.00423768 -0.00621642 0.00613558 40
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12007 229 H 9.27955 11.6587 81.5127 0.00666848 -0.00292273 -0.00271064 40
12008 230 H 10.0039 11.1916 83.6365 0.0193848 0.00658003 0.00726742 40
12009 231 H 10.4025 12.8736 84.1277 -0.00981694 -0.000651313 0.00645587 40
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12013 235 H 8.23246 10.8953 85.3603 -0.0115105 0.0011009 0.00675412 40
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12015 237 H 8.38038 13.7926 86.4918 -0.012694 0.00135072 0.0116549 40
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12017 239 H 8.76827 11.0418 87.8018 0.0125604 0.00750672 -0.00128127 40
12018 240 H 9.85036 12.7814 89.254 0.00163581 0.0120061 0.000583067 40
12019 241 H 8.37566 13.7826 89.217 -0.00730477 -0.0067947 0.000575456 40
12020 242 H 7.07841 11.9668 90.2277 0.000366802 -0.00902731 0.0136351 40
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12395 13 C 24.1509 8.80352 80.7466 -0.00514864 -0.00199071 0.00452906 42
12396 14 C 24.1581 8.6521 79.3596 0.00316313 0.000500408 0.00268228 42
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12410 28 C 20.1152 9.32362 72.9323 -0.00174856 0.00229974 -0.000120407 42
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12412 30 C 20.5391 9.53375 70.535 -0.00463119 0.000344375 -0.0002713 42
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12430 48 C 19.4404 10.2779 65.8851 0.00109337 0.00379132 0.00206194 42
12431 49 C 19.938 8.95678 65.3052 0.00161879 0.00290902 0.0020277 42
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12433 51 C 18.9204 11.4143 67.9502 -0.00221546 -0.00277695 -0.00229787 42
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12445 63 C 20.8502 7.22998 55.0216 0.000220294 0.00481519 0.00340939 42
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12456 74 C 16.6985 5.79943 58.3496 0.00214062 -0.0030296 0.000736116 42
12457 75 C 17.3806 5.78103 56.9447 -0.00104108 0.000372669 -3.47636e-05 42
12458 76 C 16.3582 6.03308 55.8381 2.48731e-05 -0.00264804 -0.00231699 42
12459 77 C 17.0653 6.20259 54.4983 0.00488146 -1.51458e-05 -0.000607566 42
12460 78 C 16.1094 6.33266 53.3111 -0.000993119 0.00103163 -0.0020559 42
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12463 81 C 16.828 6.16318 49.4812 -0.000353462 -0.00386898 -0.000909219 42
12464 82 C 19.927 12.505 63.1723 -0.00339157 0.000677285 -0.000798394 42
12465 83 C 20.3669 12.1985 61.7303 0.003334 -0.0014972 0.00348407 42
12466 84 C 20.7772 13.517 61.021 0.00248741 -0.000601613 0.000338336 42
12467 85 C 21.34 13.4929 59.5936 0.00271224 -0.00202321 -0.00309412 42
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12469 87 C 21.2423 12.8641 57.1401 0.00406594 0.00214512 0.00206187 42
12470 88 C 20.6456 11.9934 56.044 -0.00189609 -0.0026714 -0.00266019 42
12471 89 C 21.1213 12.5021 54.642 -0.00625983 -0.00242363 0.00371274 42
12472 90 C 20.3019 12.004 53.444 -0.00170015 -0.00137447 -0.00440498 42
12473 91 C 20.8529 12.4762 52.0689 0.00288364 -0.00428482 -0.00164863 42
12474 92 C 20.0193 11.9628 50.9071 -0.00188481 0.00195766 -0.00103256 42
12475 93 C 20.6076 12.2957 49.543 0.00318703 -0.00280706 0.00362669 42
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12477 95 C 18.075 12.4517 84.6625 0.00420108 0.00114898 0.000643098 42
12478 96 C 16.8835 11.83 85.3868 0.00182685 0.0012366 0.00261877 42
12479 97 C 16.5183 12.3847 86.7526 -0.00179686 0.000341264 -0.00111202 42
12480 98 C 17.4777 12.2446 87.9441 -0.0054658 0.000342358 0.000184852 42
12481 99 C 16.7309 12.5037 89.2373 -0.00317928 0.00189235 -0.00278878 42
12482 100 C 17.6029 12.4419 90.4939 0.00184288 0.00230045 -0.0021374 42
12483 101 C 16.7851 12.3441 91.786 0.000756031 0.00278953 0.00187869 42
12484 102 C 17.6289 12.3341 93.0308 0.00353572 -0.00131176 0.00177563 42
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12487 105 C 16.5887 12.0104 96.8069 -0.00202747 -0.00486842 0.000430658 42
12488 106 C 23.9001 15.9652 82.4945 -0.000921476 -0.00317246 -0.000678336 42
12489 107 C 24.214 15.9193 83.9823 0.000798213 -0.00308104 -0.000556671 42
12490 108 C 24.7626 17.2215 84.6288 -0.00204999 -0.000613243 0.00461017 42
12491 109 C 25.1566 17.2051 86.1353 0.000122349 -0.00104853 0.000383914 42
12492 110 C 24.0131 16.7379 87.0649 0.00330673 0.00143425 3.32493e-05 42
12493 111 C 24.1279 17.09 88.5507 0.00294384 0.00128021 -0.00146489 42
12494 112 C 25.401 16.5139 89.1656 -0.000551203 -0.00250803 -0.000646068 42
12495 113 C 25.5938 16.9294 90.6207 0.000283639 0.000818316 -0.00396611 42
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12497 115 C 25.1816 16.5606 93.0967 0.00124975 8.01927e-05 -0.00133976 42
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12502 120 C 24.771 7.1396 85.1034 -0.00229795 -0.00168659 -0.00025582 42
12503 121 C 24.3551 7.71573 86.441 0.00299731 0.0037694 -0.00178666 42
12504 122 C 25.2288 7.29777 87.6105 -0.00420072 -0.00366831 0.00171688 42
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12506 124 C 25.5604 7.4797 90.1075 -0.00349583 -0.00253294 0.00215084 42
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12508 126 C 25.8217 7.57689 92.6154 0.00110888 -0.00235419 6.32641e-06 42
12509 127 C 25.0811 7.82472 93.9322 0.0032881 -0.00222245 0.00151008 42
12510 128 C 26.0115 7.54049 95.1124 0.00181686 -0.00248479 0.00357006 42
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12555 173 H 20.0092 6.5764 49.9095 0.00451164 -0.000113927 0.00323636 42
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12575 193 H 17.6833 5.31076 54.3366 -0.00985816 -0.00596607 -0.024149 42
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12578 196 H 17.6168 7.0081 51.8384 0.011101 -0.0132971 0.000863586 42
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12581 199 H 15.3087 7.03329 50.7101 0.000520943 0.000406459 0.00128684 42
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12584 202 H 17.4357 7.0738 49.4113 -0.00545989 -0.00012858 0.00345359 42
12585 203 H 19.2592 13.3748 63.1426 -0.00946566 -0.00332947 0.019811 42
12586 204 H 20.7907 12.8266 63.7673 -0.00127669 -0.00981644 0.00179546 42
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12589 207 H 19.9129 14.1881 60.9438 0.0034535 0.00148422 0.00792411 42
12590 208 H 21.482 14.0131 61.6996 0.000701135 0.00140744 0.000724152 42
12591 209 H 21.3442 14.5286 59.2321 7.94487e-05 0.000129993 0.00303599 42
12592 210 H 22.3966 13.2204 59.7067 0.00580511 0.0123898 0.00281025 42
12593 211 H 21.0793 11.5643 58.7942 0.00242055 0.00209589 -0.00967481 42
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12598 216 H 19.5629 12.1631 56.0927 -0.00313458 -0.016604 0.0177902 42
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12601 219 H 20.2915 10.9071 53.4351 -0.00314166 -0.00127141 -0.0164985 42
12602 220 H 19.2854 12.4072 53.5305 -0.00077298 0.000192419 -0.000811226 42
12603 221 H 20.7706 13.5696 52.0385 -0.00257755 -0.00451993 0.00419408 42
12604 222 H 21.8875 12.1403 51.9261 0.00172457 -0.00999357 0.00334999 42
12605 223 H 19.912 10.8783 51.0325 0.00898125 0.00274333 0.0152291 42
12606 224 H 19.0007 12.3614 50.9898 -0.0055833 -0.00812545 0.00209196 42
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12610 228 H 17.4038 12.8266 82.6856 -0.00453321 0.00264127 0.00695039 42
12611 229 H 17.5769 11.1223 82.9915 0.00762721 -0.00490906 0.000926081 42
12612 230 H 18.9809 12.032 85.1172 -0.000772796 -0.00806145 0.00207071 42
12613 231 H 18.0398 13.5448 84.7469 0.0030763 0.000841594 0.00412107 42
12614 232 H 16.021 11.9575 84.7209 0.0136736 -0.00154846 -0.0132944 42
12615 233 H 17.1444 10.768 85.4734 -0.00443137 -0.000556107 -0.000621833 42
12616 234 H 16.3097 13.4574 86.657 -0.00957117 -0.00170959 -0.0069888 42
12617 235 H 15.6011 11.8343 86.9958 0.00056171 -0.00300272 0.000230171 42
12618 236 H 17.9668 11.2642 87.8904 -0.0110053 -0.00246773 0.00118784 42
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12620 238 H 16.2693 13.4961 89.1635 -0.00457345 0.00134668 -0.00139764 42
12621 239 H 15.9143 11.7808 89.3559 0.00908556 -0.0100937 0.00869787 42
12622 240 H 18.2761 11.5758 90.4785 0.00720401 0.00624231 0.00929867 42
12623 241 H 18.2366 13.3373 90.5025 0.0128601 -0.00564325 0.0123853 42
12624 242 H 16.0689 13.1744 91.8211 -0.00575802 -0.00269709 -0.000881342 42
12625 243 H 16.1945 11.4199 91.7633 0.00392602 0.000879326 -0.00274937 42
12626 244 H 18.4131 11.5703 92.9596 -0.00402601 -0.0099379 0.0108773 42
12627 245 H 18.1111 13.2999 93.2261 -0.00737008 0.00332352 0.00582445 42
12628 246 H 15.8873 12.7349 94.3324 -0.00791257 -0.00907214 -0.00426462 42
12629 247 H 16.3051 11.0284 94.2185 0.0102009 -0.00313858 -0.0017978 42
12630 248 H 18.3179 11.45 95.6081 0.00497788 0.000910876 0.00632187 42
12631 249 H 17.9254 13.2144 95.6548 0.00319561 -0.00260098 0.00191137 42
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12633 251 H 15.7449 12.6989 96.6753 0.00582623 0.00556272 0.00471792 42
12634 252 H 16.1821 10.9916 96.8126 0.0155448 -0.0120155 -0.018064 42
12635 253 H 24.7136 16.4907 81.9792 -0.0114788 0.013166 -0.000694314 42
12636 254 H 22.9484 16.5049 82.4144 0.000775757 0.000735049 0.00546355 42
12637 255 H 23.3299 15.5744 84.5325 -0.00406498 -0.00214674 -0.00779863 42
12638 256 H 24.9934 15.1653 84.1478 0.00237448 -0.00192157 -0.0027366 42
12639 257 H 25.6687 17.515 84.0845 -0.00104502 -0.00147787 0.00581146 42
12640 258 H 24 17.987 84.4396 -0.0138958 -0.011369 0.00873472 42
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12644 262 H 23.8889 15.6511 86.9809 0.00666275 -0.00012361 0.015223 42
12645 263 H 24.1481 18.1831 88.6407 -0.00185142 0.00122606 0.000257381 42
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12647 265 H 25.4304 15.4252 89.0343 -0.0168148 -0.00440278 0.0115812 42
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12650 268 H 25.6121 18.025 90.6723 -0.0133122 0.000761699 0.00192172 42
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12652 270 H 24.3794 15.3059 91.5959 -0.00913727 0.00291699 0.00111294 42
12653 271 H 26.1541 16.0584 93.1703 0.00915434 0.0158311 0.00191974 42
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12660 278 H 25.2935 9.46446 83.2981 0.000351898 -0.00661675 0.00248647 42
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12668 286 H 26.2423 7.69645 87.4794 -0.00905952 0.0110639 0.00893138 42
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12670 288 H 23.688 7.27333 89.0832 -0.00787528 0.0137533 0.00297447 42
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12680 298 H 26.9793 8.03957 94.9791 4.62086e-05 0.00141127 0.00525594 42
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12685 1 C 27.8607 8.40305 80.7391 0.00126507 -0.000296195 0.00158093 43
12686 2 C 27.9108 8.2706 79.3526 0.00073842 -0.00506359 -0.00597285 43
12687 3 C 27.3224 7.21573 78.7079 0.00216382 -0.000509573 -0.00163806 43
12688 4 C 26.6985 6.23365 79.4918 0.00154942 0.000284361 -0.00407832 43
12689 5 C 26.6103 6.36704 80.9154 5.20305e-05 -0.00555353 0.00126512 43
12690 6 C 27.1943 7.50022 81.5572 0.00157142 -0.00208833 -0.000967455 43
12691 7 C 22.0432 5.19438 80.5837 -0.000976384 0.00255914 -0.00103878 43
12692 8 C 22.1496 5.07643 79.1865 0.00112595 0.00267822 0.00222367 43
12693 9 C 23.3992 5.05982 78.5538 0.00379417 -0.00103492 0.0031303 43
12694 10 C 24.5584 5.10793 79.3559 -0.00135765 2.87258e-05 0.00149608 43
12695 11 C 24.4545 5.16169 80.7789 0.0018821 0.00121579 0.00288381 43
12696 12 C 23.1941 5.19107 81.4056 0.00386536 0.00231334 0.000525444 43
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12698 14 C 27.8307 1.70317 79.802 -0.00196174 0.00131718 0.00305707 43
12699 15 C 27.2873 2.70132 78.9992 -0.00100032 0.00270194 -0.000975126 43
12700 16 C 26.6553 3.79967 79.6075 0.000990117 0.0039454 0.00257109 43
12701 17 C 26.0193 5.01769 78.8757 -0.00151035 -0.00314364 0.00267509 43
12702 18 O 27.1169 2.98418 83.188 -0.00306592 0.000521878 0.000583951 43
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12704 20 O 27.0758 7.78649 82.907 0.00142828 -0.00417907 0.00207976 43
12705 21 C 27.0659 2.83923 81.8053 -0.000566519 0.00361135 0.00185826 43
12706 22 C 26.0758 4.86381 77.4159 0.00109055 0.00117579 -0.000679784 43
12707 23 C 25.933 4.63843 76.2184 0.00203779 -0.000643123 0.00376859 43
12708 24 C 25.641 4.27337 74.8528 0.00117691 -0.00391416 0.00281211 43
12709 25 C 26.4221 3.37203 74.0997 -0.000602249 -0.00304536 0.000338826 43
12710 26 C 26.0715 2.97078 72.7993 -0.00219672 -0.000812877 0.000580303 43
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12931 247 H 20.4539 5.17851 94.7795 -0.00477886 0.00720133 0.0122927 43
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12933 249 H 20.9184 6.8122 96.6524 0.00707231 0.00132379 0.0032958 43
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13025 39 C 31.6505 9.02173 66.5153 0.000240553 0.00135002 -0.000940014 44
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13028 42 C 29.0465 8.91321 65.5057 0.000964477 -0.000837522 -0.00164363 44
13029 43 C 29.2524 8.99396 66.8981 -0.000132513 -0.00107958 -0.00444699 44
13030 44 C 30.5735 9.12639 67.394 -0.00112885 0.00034965 0.00603399 44
13031 45 C 26.1021 12.4571 67.1712 0.00268305 0.00189313 0.00219719 44
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13035 49 C 27.5812 9.00678 65.0496 0.00348036 -0.00195676 0.00126317 44
13036 50 C 27.2225 10.333 67.1322 0.00133514 -0.00486129 0.00242472 44
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13045 59 C 28.9478 8.42891 60.3529 -0.000295855 -0.00301836 -0.0022995 44
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13049 63 C 28.2839 8.81891 55.1724 -0.000569101 -0.000503052 -0.00105559 44
13050 64 C 28.2813 7.8397 53.9949 -0.000789448 -0.00452971 -0.00173051 44
13051 65 C 28.0826 8.44593 52.5932 -0.00217073 -0.000196347 0.00352172 44
13052 66 C 28.0644 7.28812 51.5808 -0.000438126 -0.00170344 0.00130879 44
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13060 74 C 25.7225 6.06895 58.3942 -0.00414806 0.000546347 0.00217787 44
13061 75 C 25.2318 5.29652 57.1709 0.00590878 -0.00035719 -7.15208e-05 44
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13063 77 C 24.3679 5.27261 54.7537 0.000230178 0.00179964 0.00182761 44
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13069 83 C 28.3157 11.8855 61.8324 0.001406 0.000160606 0.00264876 44
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13071 85 C 28.6572 13.4066 59.8266 0.00330404 0.00195746 0.00159644 44
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13074 88 C 27.8367 12.7107 56.0333 0.00405397 0.00202591 -0.00170424 44
13075 89 C 28.7382 13.1642 54.8487 0.00206078 0.00144299 0.00301438 44
13076 90 C 28.0564 13.1396 53.4517 -0.00113332 -0.00530219 -0.00524037 44
13077 91 C 28.0407 11.7414 52.7586 0.00146544 -0.0018674 -0.00211996 44
13078 92 C 27.569 11.7191 51.2594 0.0016007 -0.000335677 0.000501193 44
13079 93 C 28.6097 12.4328 50.3128 -1.63076e-05 -0.00243926 0.0015333 44
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13081 95 C 25.8661 12.0941 84.1574 -0.00368177 0.00210688 2.19984e-05 44
13082 96 C 24.6418 12.4872 84.9696 0.00176421 -0.000685023 0.000754331 44
13083 97 C 24.5563 11.7833 86.3512 -0.00234986 0.000128984 -0.00463604 44
13084 98 C 25.0017 12.6332 87.5678 -0.00155982 0.0025778 -0.00312394 44
13085 99 C 24.5665 11.8704 88.8548 0.00210118 0.000711835 0.00167234 44
13086 100 C 24.7125 12.6219 90.1845 0.000510699 0.00158432 9.31489e-05 44
13087 101 C 26.1761 12.7409 90.7103 0.00221274 -0.00212731 -0.00239798 44
13088 102 C 26.2736 12.8875 92.244 -0.00157798 -0.0018728 -0.00381275 44
13089 103 C 25.7264 11.6485 93.0122 -0.00246775 0.00103126 0.000153457 44
13090 104 C 26.1614 11.6293 94.4943 -0.00060756 0.000214667 -0.00578356 44
13091 105 C 25.4143 12.6786 95.3193 -0.0011807 -0.0027755 0.00187728 44
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13093 107 C 32.105 16.2631 82.9349 0.00214494 -0.00238607 0.00106397 44
13094 108 C 32.6179 16.8518 84.2839 0.00465446 -0.00401027 0.000962251 44
13095 109 C 32.2413 16.0129 85.5601 -0.00231242 -0.00136889 -0.00299423 44
13096 110 C 32.5694 16.6554 86.9438 0.00217534 0.0013676 0.00199508 44
13097 111 C 33.9246 16.2334 87.5396 0.00219696 0.000549848 0.00163684 44
13098 112 C 34.2417 16.9119 88.8943 -0.000966495 0.00254739 -0.00571419 44
13099 113 C 33.4571 16.4362 90.0944 0.000549591 -0.00194694 -0.00203537 44
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13101 115 C 33.3631 16.6155 92.651 4.39005e-05 0.0028233 -0.000581437 44
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13105 119 C 31.0954 8.32285 84.4963 0.00357635 0.000616291 0.00382347 44
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13111 125 C 32.495 7.45079 91.0485 0.00135261 -0.00317805 0.00138882 44
13112 126 C 32.1778 7.88903 92.5079 -0.00469231 0.00530884 0.00213965 44
13113 127 C 33.1639 7.27181 93.4911 0.00172183 0.002435 0.000826116 44
13114 128 C 32.9571 7.75853 94.9183 0.00031896 -0.00274787 0.00259502 44
13115 129 C 33.6934 6.90536 95.9704 0.00448719 0.000956082 0.00396084 44
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13230 244 H 27.3143 13.0863 92.5281 -0.00506213 0.0145559 -0.00252995 44
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13254 268 H 33.4057 15.3406 90.1142 -0.00715088 -0.00158649 -0.00216611 44
13255 269 H 35.1632 16.4364 91.3891 -0.000978825 -0.00416485 -0.00315154 44
13256 270 H 34.4236 17.9946 91.3175 0.000138172 -0.00255106 0.00102431 44
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13271 285 H 30.5442 7.31789 86.9076 -0.000174651 -0.0112729 0.0055904 44
13272 286 H 33.4589 6.63695 87.5852 -0.000315477 0.00840107 0.00573144 44
13273 287 H 32.0416 6.10491 88.5164 0.00614887 -0.00584344 -0.00200069 44
13274 288 H 31.6934 8.96987 88.0152 0.00305566 -0.00163757 0.000651556 44
13275 289 H 33.2981 8.75537 88.6111 0.0107608 -0.0168539 -0.00922747 44
13276 290 H 30.6532 7.76302 89.8752 0.00166961 -0.00303192 0.0261679 44
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13290 2 C 35.9038 8.11913 78.4006 -0.000521541 -0.00521433 0.00196213 45
13291 3 C 35.3654 7.0242 77.7824 0.000542948 0.000706329 0.00192343 45
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13299 11 C 32.3711 5.08919 79.9243 -0.00100834 -0.000986841 -0.00377865 45
13300 12 C 31.0775 5.17833 80.5121 -0.000696039 0.00299519 0.000840097 45
13301 13 C 35.5105 1.4856 80.1467 -0.00113548 0.00478482 3.71047e-05 45
13302 14 C 35.5024 1.44114 78.7477 -0.00130171 -0.00135626 -0.00146754 45
13303 15 C 35.0167 2.52894 78.0488 -0.00482954 -0.00368264 0.00105517 45
13304 16 C 34.4487 3.64423 78.7202 -0.00296097 -0.000317541 0.00141357 45
13305 17 C 33.8863 4.86123 77.9548 0.000436159 -0.00444552 0.000770372 45
13306 18 O 35.1128 2.62711 82.2557 -0.000389124 -0.00382291 0.00149248 45
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13310 22 C 33.9042 4.68163 76.4791 -0.00151843 -0.000534995 0.00199721 45
13311 23 C 33.6756 4.39898 75.3018 -0.00214188 -0.00214768 -0.00369972 45
13312 24 C 33.2573 3.97574 73.9911 -0.00103533 -0.000114547 0.0019453 45
13313 25 C 32.7903 4.90602 73.0653 -0.00299097 0.000429557 -0.000970404 45
13314 26 C 32.3557 4.48078 71.8016 0.00147398 -0.00109438 0.00062985 45
13315 27 C 32.2771 3.08093 71.5051 -0.000935315 -0.00267276 0.000380182 45
13316 28 C 32.7515 2.14353 72.4334 -0.00155376 -0.00176439 0.00289297 45
13317 29 C 33.2838 2.60425 73.6422 0.00199431 0.00166939 0.00302427 45
13318 30 C 31.9417 2.65165 70.1791 0.00290471 0.00160525 0.00232661 45
13319 31 C 31.8134 2.42948 68.9998 -0.000432847 0.00354221 0.00441768 45
13320 32 C 30.1372 -1.18325 67.1703 -0.0053872 0.000589566 -0.00218807 45
13321 33 C 30.1126 -1.2656 65.7573 -0.00177314 0.000323516 -0.00193119 45
13322 34 C 30.6686 -0.235328 64.949 -0.00114604 0.0043684 0.000175713 45
13323 35 C 31.1625 0.917949 65.5884 0.00219883 0.00526483 0.00122682 45
13324 36 C 31.2145 0.982566 67.0372 -0.00123073 -0.00539327 0.0018171 45
13325 37 C 30.6524 -0.05288 67.8174 -0.00155953 -0.00106863 -0.00177004 45
13326 38 C 31.8126 2.27548 67.5372 -0.000838288 -0.00326047 -0.00314919 45
13327 39 C 35.655 2.24755 66.9571 -0.00186895 -0.000721281 -0.00137693 45
13328 40 C 35.6533 2.15646 65.5454 -0.0044852 -0.00489315 -0.000580456 45
13329 41 C 34.4607 2.12523 64.8366 -0.00502057 0.00137013 -0.00236448 45
13330 42 C 33.2423 2.16371 65.5354 0.0031591 -0.001026 -0.00164623 45
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13332 44 C 34.428 2.3487 67.6619 0.000289438 0.000966353 0.000836621 45
13333 45 C 29.5433 5.30882 66.7668 0.00334815 -0.00113685 0.00117798 45
13334 46 C 29.4533 5.131 65.3822 0.00835743 -0.000766114 0.00374799 45
13335 47 C 30.2362 4.1744 64.7056 0.000998095 0.000785884 -0.00150804 45
13336 48 C 31.0281 3.29445 65.4719 -0.00426468 0.000652019 0.000205954 45
13337 49 C 31.8418 2.11545 64.8903 -0.00191242 0.00251086 -0.00232015 45
13338 50 C 31.0739 3.41371 66.8628 0.00273977 0.0026763 0.000899704 45
13339 51 C 30.33 4.43338 67.5138 0.000781766 0.00193084 0.00136129 45
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13344 56 C 34.3882 3.67476 80.1303 -0.00594371 -0.00385821 0.00138437 45
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13347 59 C 33.8614 1.39561 60.4795 -0.0024351 -0.000260285 0.00194201 45
13348 60 C 34.1601 1.9351 59.0425 0.000496186 0.00572958 -0.00274638 45
13349 61 C 33.1717 1.39346 58.003 2.4967e-05 0.000352715 0.00294404 45
13350 62 C 33.4433 2.03315 56.6114 0.000510393 -0.000264189 -0.00529136 45
13351 63 C 32.6439 1.30307 55.5381 -0.00246307 0.000762763 -0.00353608 45
13352 64 C 32.77 1.88472 54.128 -0.00351781 0.00301303 -0.0014478 45
13353 65 C 31.6415 1.22012 53.2874 0.00222851 0.00302047 -0.00148809 45
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13362 74 C 31.3896 -1.97952 57.7272 -0.00428646 -0.000189549 0.00134821 45
13363 75 C 32.1062 -2.80151 56.6226 0.00130035 0.00389071 0.000549624 45
13364 76 C 31.5937 -2.49393 55.1494 -0.00509735 -0.00413807 -0.00649484 45
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13368 80 C 32.6049 -3.23557 50.1103 0.00146564 -0.00107778 0.000484981 45
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13371 83 C 29.9016 2.5987 61.4441 0.000345172 -0.000307312 6.23713e-06 45
13372 84 C 30.2747 3.45618 60.2225 -0.00259454 -0.000520199 0.00258277 45
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13374 86 C 29.3945 4.4158 58.0684 0.00112615 -0.00222033 0.000724412 45
13375 87 C 29.8735 3.34676 57.0028 0.00330015 -0.00181613 -0.000387272 45
13376 88 C 28.8113 3.05335 55.8978 0.0029853 -0.0006167 0.000651771 45
13377 89 C 28.5019 4.34557 55.0966 0.000323977 -3.1667e-05 -0.00171735 45
13378 90 C 27.6992 4.07525 53.8204 0.000533804 0.00131662 -0.000704075 45
13379 91 C 28.542 3.50466 52.6667 0.00149627 -0.00212559 -0.0046403 45
13380 92 C 27.8625 3.56234 51.2594 0.00438399 -0.0040361 -0.00581156 45
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13388 100 C 28.5942 5.60556 89.5491 0.00273531 0.000692917 -0.00229523 45
13389 101 C 28.2258 4.96034 90.8734 -0.000188233 7.42373e-05 8.97064e-05 45
13390 102 C 29.0604 5.58968 91.9893 0.00152682 0.00382814 -0.00554468 45
13391 103 C 28.7509 4.98721 93.3949 0.0032774 0.000239424 0.000751071 45
13392 104 C 29.5286 5.74818 94.4908 -0.00318049 -0.00530463 0.00365579 45
13393 105 C 29.1638 5.16562 95.8763 -0.00430544 -0.000444083 0.00166867 45
13394 106 C 35.4512 8.70295 82.6027 0.00239338 0.000261926 0.00025151 45
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13397 109 C 35.8192 9.51129 86.5272 0.00417498 0.00038744 0.00546295 45
13398 110 C 36.9384 9.35802 87.5599 0.00495238 0.00401186 0.00298762 45
13399 111 C 36.3685 9.75738 88.9366 -0.00185563 0.00231136 0.00255819 45
13400 112 C 37.2029 9.48634 90.1735 0.00237664 0.000627215 0.000466741 45
13401 113 C 36.3461 9.75545 91.4313 -0.000362047 0.000759687 0.00103745 45
13402 114 C 37.0773 9.43527 92.7591 -0.00563246 -0.0043174 -5.62779e-06 45
13403 115 C 36.1459 9.78739 93.9239 0.0031671 0.00256599 0.00396378 45
13404 116 C 36.7502 9.41926 95.3006 0.000112854 -0.00247408 -0.00291396 45
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13407 119 C 35.9034 1.70227 84.4147 -0.000671138 -0.00150669 0.00254649 45
13408 120 C 36.5897 0.517963 85.1417 8.73328e-05 0.00198554 -0.00436283 45
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13410 122 C 36.1442 0.621378 87.6467 -0.00461929 0.00218634 -0.00434505 45
13411 123 C 36.7951 0.737182 89.0201 0.00245197 0.000486841 0.00467507 45
13412 124 C 35.9109 0.336372 90.201 -0.00137946 4.00235e-05 -0.00242255 45
13413 125 C 36.7 0.503845 91.4972 0.0038646 -0.000139849 0.000123011 45
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13415 127 C 36.7506 0.290007 94.0154 0.000208556 -0.00487841 4.53371e-05 45
13416 128 C 36.0642 -0.279398 95.2835 0.00392389 -0.00230656 -0.000873948 45
13417 129 C 36.6915 0.29485 96.5914 -0.000339731 0.00185527 0.00648544 45
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13484 196 H 33.9327 -3.5423 51.8152 -0.000438073 0.000434986 0.00156436 45
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13494 206 H 29.2192 1.81002 61.1039 0.000424138 -0.00414435 0.00877305 45
13495 207 H 30.7611 4.38196 60.5538 -0.0026514 -0.00232786 0.0077265 45
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13498 210 H 28.4585 4.63043 60.0007 0.00154301 -0.00457098 0.00764589 45
13499 211 H 28.4734 4.90259 57.7248 -0.00199804 -0.000796551 0.0110952 45
13500 212 H 30.1407 5.2129 58.174 0.00896771 -0.0103067 0.00629963 45
13501 213 H 30.8125 3.66182 56.531 0.00198232 -0.00517008 -0.00525855 45
13502 214 H 30.1809 2.37796 57.4156 -0.00311645 -0.00712252 -0.0080287 45
13503 215 H 29.1762 2.23737 55.2619 0.00335224 0.00962564 -0.0122491 45
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13505 217 H 27.8182 4.97831 55.676 -0.00541254 -0.0166732 0.00971883 45
13506 218 H 29.4406 4.88968 54.9349 -0.0024729 0.00865737 0.0112494 45
13507 219 H 26.9073 3.35465 54.0595 0.00228973 0.00318954 0.0107814 45
13508 220 H 27.2244 5.03154 53.5685 0.00415316 0.00421975 0.00344604 45
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13510 222 H 28.7699 2.46344 52.9262 0.00500239 0.00183686 0.00823941 45
13511 223 H 27.0149 2.86596 51.2697 -0.0159116 0.0207927 -0.000288331 45
13512 224 H 27.4678 4.5662 51.0596 -0.00686848 -0.00653114 0.00389034 45
13513 225 H 28.2834 3.38734 49.1407 0.0224698 0.00784166 -0.00780961 45
13514 226 H 29.7387 3.72244 50.1347 0.00405067 -0.00389499 0.0125473 45
13515 227 H 29.0183 2.10023 50.0793 0.0104395 0.00150623 0.000204567 45
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13517 229 H 28.8787 4.80917 82.0451 0.00313662 0.00348573 -0.00154078 45
13518 230 H 29.773 3.96489 83.9804 0.0104295 0.00377392 -0.0229065 45
13519 231 H 30.4966 5.50866 84.4894 -0.00296192 -0.00166633 0.00859708 45
13520 232 H 28.2404 6.51286 84.6476 0.003953 0.00147458 -0.00682807 45
13521 233 H 27.4727 5.24608 83.7783 -0.00614575 0.0121199 -0.000837531 45
13522 234 H 26.7822 4.68283 85.9725 0.00491193 -0.00156528 -0.0049031 45
13523 235 H 28.2228 3.73315 85.8614 -0.00586684 0.00240566 -0.0134172 45
13524 236 H 29.5101 5.44539 87.1273 0.00177108 0.00207546 -0.00521776 45
13525 237 H 28.0844 6.5591 87.0524 0.000295853 0.000241052 -0.0139929 45
13526 238 H 26.7946 4.95785 88.4643 0.000220794 0.00154128 0.00411398 45
13527 239 H 28.1064 3.81226 88.3231 0.000221873 -0.00160973 0.00123875 45
13528 240 H 29.6828 5.57812 89.4162 0.00516324 -0.0016826 0.018017 45
13529 241 H 28.2969 6.66128 89.5706 0.00721564 0.00167897 0.011498 45
13530 242 H 27.1702 5.13322 91.1168 -0.00164347 0.0084229 -0.0122175 45
13531 243 H 28.3885 3.87629 90.9157 -0.014574 -0.00194705 0.0038426 45
13532 244 H 30.1224 5.44241 91.7572 0.000842582 0.00429938 -0.00898292 45
13533 245 H 28.8683 6.66767 91.9226 0.0325243 0.00971777 0.000734542 45
13534 246 H 27.6667 4.95149 93.5581 0.00463838 0.0051059 0.0107012 45
13535 247 H 29.0617 3.93763 93.3229 0.00305172 -9.33042e-05 0.00476305 45
13536 248 H 30.5903 5.52015 94.335 -0.00152126 0.00884248 -0.00545585 45
13537 249 H 29.35 6.83029 94.4676 0.00103173 -0.00478013 -0.00417084 45
13538 250 H 29.4792 5.74547 96.7525 0.0057539 0.010944 -0.00953947 45
13539 251 H 28.0703 5.10591 95.9392 -0.00437255 -0.0095208 -0.00787712 45
13540 252 H 29.4062 4.1049 96.0161 -0.0150491 -0.00214507 0.0076709 45
13541 253 H 36.5381 8.73902 82.4587 0.00349943 0.00241022 0.00913365 45
13542 254 H 35.041 9.57417 82.0772 0.00629948 0.00732345 0.00892623 45
13543 255 H 34.2601 9.47983 84.1668 -0.00329325 -0.00626107 -0.000239964 45
13544 256 H 34.7481 7.80744 84.483 0.0101912 -0.00251599 -0.0140187 45
13545 257 H 36.9365 8.35134 85.0741 -0.00419311 -0.00526025 0.00684876 45
13546 258 H 36.7716 10.1006 84.6857 -0.00664289 -0.00643154 -0.0138144 45
13547 259 H 35.3773 10.5151 86.5491 -0.00227238 -0.00249676 0.0081641 45
13548 260 H 34.9843 8.84853 86.7862 0.00778447 -0.00312631 0.00807674 45
13549 261 H 37.3343 8.33607 87.5122 -0.00111774 0.00202823 -0.00509741 45
13550 262 H 37.7438 10.0586 87.3071 0.000974398 0.00251882 -0.0138247 45
13551 263 H 36.1254 10.8268 88.9633 -0.00761262 0.00129256 -0.00967336 45
13552 264 H 35.4194 9.21442 89.0257 -0.000863905 0.00203348 0.0112824 45
13553 265 H 37.5808 8.45686 90.2007 0.00350946 0.00115191 0.0047895 45
13554 266 H 38.0679 10.161 90.1697 -0.00328141 0.00790887 0.00391423 45
13555 267 H 36.0611 10.814 91.4714 0.00422506 0.00207417 -0.00111806 45
13556 268 H 35.4127 9.18899 91.3245 0.00120829 -0.000493769 -0.0061574 45
13557 269 H 37.3767 8.38067 92.799 -0.00461743 -0.00404062 -0.000322559 45
13558 270 H 37.9899 10.0358 92.8582 -0.00723514 -0.00120153 -0.00414657 45
13559 271 H 36.0534 10.8801 93.9528 -0.00521679 0.0021541 -0.00809357 45
13560 272 H 35.1134 9.43564 93.8074 0.0062694 -0.00451925 -0.0019581 45
13561 273 H 36.8692 8.34365 95.4803 -0.00335099 -0.00514233 -0.0168116 45
13562 274 H 37.7565 9.83753 95.4262 0.00324132 -0.0136542 0.00945396 45
13563 275 H 36.3663 9.92077 97.4119 -0.00523144 0.00912304 0.00274051 45
13564 276 H 35.6836 11.0592 96.2239 0.0124874 0.00204579 -0.00181072 45
13565 277 H 34.8653 9.52076 96.5295 0.000285874 0.00114866 -0.00235464 45
13566 278 H 35.1691 0.545576 82.683 -0.00174399 -0.000375158 -0.00376463 45
13567 279 H 36.7013 1.32969 82.4814 -0.00777511 0.00484225 -0.0206472 45
13568 280 H 34.9429 1.83646 84.9274 -0.00882448 -0.0242807 -0.00670874 45
13569 281 H 36.5441 2.58145 84.5562 -0.00214548 0.000399871 -0.0026511 45
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13575 287 H 35.2846 1.29405 87.5374 -0.0144243 -0.00975206 -0.000643249 45
13576 288 H 37.0983 1.77496 89.2058 0.00292665 -0.000567678 0.00983375 45
13577 289 H 37.6905 0.103947 89.0455 0.00461371 0.00363922 0.00706739 45
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13579 291 H 35.0345 0.995935 90.2164 -0.00708927 -0.00791939 0.0125613 45
13580 292 H 37.0155 1.5488 91.6066 -0.0106089 0.00383348 0.00388082 45
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13585 297 H 37.7684 -0.112057 93.9397 0.00347099 0.00667072 -0.017383 45
13586 298 H 36.0585 -1.376 95.2546 0.0131234 -0.00223693 -0.00478953 45
13587 299 H 34.9914 -0.0656223 95.2013 0.00660097 0.0117625 0.00111915 45
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13589 301 H 37.751 0.0142822 96.6388 -0.00115616 -0.0017647 0.00340334 45
13590 302 H 36.1751 -0.0983065 97.4758 -0.0122688 0.0140384 0.00493406 45
13591 1 C 39.6194 15.1405 79.48 -0.000995435 -0.00148908 0.000254169 46
13592 2 C 39.6893 14.9413 78.0947 0.00056072 -0.00386192 0.00113962 46
13593 3 C 39.1316 13.8133 77.5048 0.00139544 -0.00267908 0.000916083 46
13594 4 C 38.4871 12.8962 78.3697 -0.0019813 0.00685855 -0.000291431 46
13595 5 C 38.4091 13.0538 79.7754 0.000373278 -0.00323525 8.34209e-05 46
13596 6 C 38.9998 14.2076 80.3297 0.00311087 0.000786918 -0.00418315 46
13597 7 C 33.9346 11.8441 79.6755 -0.000761629 0.00457252 -0.000281109 46
13598 8 C 33.9793 11.6833 78.2872 0.00327863 -0.000814714 0.00126068 46
13599 9 C 35.2091 11.7017 77.6451 -0.000927381 -0.0010372 0.000124814 46
13600 10 C 36.3833 11.7049 78.4014 0.0010932 0.00153312 -0.000204204 46
13601 11 C 36.3551 11.767 79.8301 0.00157976 0.0034197 0.0015809 46
13602 12 C 35.1052 11.8864 80.4778 -0.00256525 -0.00241455 0.000854029 46
13603 13 C 39.5233 8.40505 80.0984 0.00358275 0.00212807 -0.00225968 46
13604 14 C 39.6058 8.34855 78.6985 -0.000732111 -0.00458025 -0.00310283 46
13605 15 C 39.0901 9.36953 77.9 -0.00210699 -5.08524e-05 0.0029919 46
13606 16 C 38.5239 10.4765 78.5545 -0.00744359 -0.00148065 -0.000724204 46
13607 17 C 37.8219 11.6354 77.8565 0.00388371 -0.00109539 -0.000803698 46
13608 18 O 38.9039 9.60144 82.1172 -0.000167195 -0.000404979 0.00143603 46
13609 19 O 35.0291 11.9859 81.8588 0.0010218 0.00448564 -0.00312012 46
13610 20 O 39.0173 14.4094 81.7239 -0.00130327 0.0027578 0.000231535 46
13611 21 C 38.9643 9.52596 80.7401 -0.001163 -0.00056768 -0.000665094 46
13612 22 C 37.7887 11.4484 76.4092 0.000809122 0.00608311 0.00265509 46
13613 23 C 37.6817 11.2257 75.2176 0.00112682 0.00512361 0.00136997 46
13614 24 C 37.331 10.8157 73.8874 0.00194323 -0.00505892 -0.00170649 46
13615 25 C 38.0025 9.71812 73.3365 -0.00435677 0.00118521 0.00109376 46
13616 26 C 37.6089 9.25906 72.0424 -0.000912058 0.000110245 -0.00160927 46
13617 27 C 36.5216 9.86507 71.3688 0.00181835 -0.00164595 0.00278966 46
13618 28 C 35.8759 10.9571 71.9754 0.00135941 -0.000142315 -0.00162891 46
13619 29 C 36.2859 11.4567 73.2249 0.000690823 0.0020638 0.00338002 46
13620 30 C 36.1508 9.48364 70.0516 0.00169567 -0.000863038 0.000152049 46
13621 31 C 35.8978 9.23897 68.9051 0.00360282 -0.00284604 0.00478741 46
13622 32 C 33.7078 5.80106 67.0078 0.00326083 -0.000335865 0.00432924 46
13623 33 C 33.7989 5.68339 65.6062 -0.0015683 -0.000924107 -0.00285773 46
13624 34 C 34.408 6.69218 64.8719 -0.00134561 0.0036737 0.00377169 46
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13626 36 C 34.9317 7.86756 66.9458 -0.00181278 0.000194727 -0.000330091 46
13627 37 C 34.3012 6.86332 67.6965 0.00706492 0.000817984 0.00108253 46
13628 38 C 35.7461 9.09854 67.4783 0.00268871 0.000621969 0.00138475 46
13629 39 C 39.5167 9.04569 66.6116 -0.00712913 0.000701857 0.00353154 46
13630 40 C 39.4325 9.07335 65.2011 -0.000831337 0.000883692 0.000668358 46
13631 41 C 38.184 8.97775 64.5622 -0.000779315 0.00238336 0.00145282 46
13632 42 C 36.9845 8.97846 65.3207 0.00223195 0.00395519 9.66133e-05 46
13633 43 C 37.0971 8.98456 66.7422 0.00547348 0.00396747 0.00213587 46
13634 44 C 38.3716 8.97766 67.3824 0.00096463 0.00410483 -4.46255e-05 46
13635 45 C 34.2342 12.5696 66.708 0.00353085 0.00504152 -0.00209907 46
13636 46 C 34.3313 12.6029 65.3109 0.000453376 0.00212923 0.00248576 46
13637 47 C 34.7048 11.4359 64.614 0.00262671 0.00216568 0.00258599 46
13638 48 C 35.056 10.2894 65.3523 0.001412 -0.000486035 -0.00242036 46
13639 49 C 35.5783 9.00137 64.7903 0.00371177 -0.00202053 0.000929033 46
13640 50 C 35.148 10.3367 66.7633 -0.00193194 0.000140932 -0.00207223 46
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13650 60 C 35.6557 8.44784 59.0212 -0.00120972 0.00320845 0.00293429 46
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13658 68 C 36.6201 8.83441 49.8243 0.000968152 -0.00133123 0.00293423 46
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13660 70 C 33.219 6.77659 62.7648 0.000477888 -0.000397226 -0.00264056 46
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13663 73 C 32.9003 6.21763 59.6273 -0.00170526 -0.00521047 -0.000448265 46
13664 74 C 33.1443 5.81279 58.1869 -0.00495996 -0.00561361 -0.000256437 46
13665 75 C 32.882 7.00789 57.2119 -0.0042757 0.000545792 0.00216419 46
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13667 77 C 32.8102 5.95616 54.8287 0.000482011 0.00530227 0.00076754 46
13668 78 C 31.9676 6.00614 53.5213 0.00164535 -0.00159795 0.000866238 46
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13675 85 C 35.9319 13.0307 58.7315 0.00163013 -0.00347688 0.00352975 46
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13677 87 C 36.1106 13.0264 56.2128 0.00353148 0.00223435 -0.00072425 46
13678 88 C 36.8901 13.1779 54.8628 -0.00208427 0.00319663 0.000252392 46
13679 89 C 35.9405 13.0553 53.644 -0.000647377 -0.000370475 -0.0044993 46
13680 90 C 36.6794 13.0303 52.2967 0.00086386 -0.000250873 -4.43244e-05 46
13681 91 C 35.7054 13.0203 51.1061 0.00461102 -0.000727046 -0.0013738 46
13682 92 C 36.3846 13.0539 49.7474 5.29238e-05 -0.00183653 0.00428668 46
13683 93 C 35.3541 12.6939 48.6637 0.00382115 0.00558117 0.000906528 46
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13685 95 C 33.8386 12.0343 83.9792 0.00183717 -0.00284839 0.000171035 46
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13687 97 C 32.5359 11.4309 86.1353 0.0025326 0.000125024 -0.00117077 46
13688 98 C 32.5725 12.7345 86.9401 -0.00115781 0.00126299 0.00144384 46
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13690 100 C 33.4314 11.805 89.2379 0.0010372 0.00099068 0.0026718 46
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13694 104 C 33.6053 12.8292 94.3441 -0.000388502 0.000604409 0.000218173 46
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13699 109 C 40.7739 17.2867 85.6815 0.00547321 0.00503053 -0.00350417 46
13700 110 C 40.0872 16.7224 86.9403 7.22259e-05 -0.00265321 -0.00130362 46
13701 111 C 40.9406 17.1155 88.1456 0.00167071 0.007104 0.0015173 46
13702 112 C 40.311 16.5758 89.4788 -0.000451253 0.000332517 0.00249592 46
13703 113 C 41.057 17.0759 90.7617 0.00181678 -0.000881567 -0.000522192 46
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13705 115 C 41.2036 17.2213 93.2611 0.00328515 0.00255166 -0.000941478 46
13706 116 C 40.5662 16.7413 94.6055 -0.00259434 -0.00166391 -0.000126409 46
13707 117 C 41.2131 17.4426 95.8156 -0.00266947 0.00265209 -0.00132191 46
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13709 119 C 40.3238 7.88444 83.3035 0.000755891 0.00298126 0.00183221 46
13710 120 C 40.5139 7.08717 84.626 0.0021776 0.00227114 0.00380696 46
13711 121 C 40.2462 7.89592 85.9212 -0.00140931 -0.00185185 -0.000606869 46
13712 122 C 40.2605 7.04934 87.1958 0.000503534 0.00275559 0.000351982 46
13713 123 C 40.296 7.87103 88.5398 -0.00133368 -0.00190842 -0.00367481 46
13714 124 C 40.1776 7.03995 89.8236 0.000810795 -0.000123186 -0.00224518 46
13715 125 C 40.3555 7.81594 91.1104 -0.000375212 -0.00289028 0.000463989 46
13716 126 C 40.1141 6.90658 92.2914 2.03439e-05 0.00481759 -0.00236541 46
13717 127 C 40.3927 7.63698 93.6006 0.00178666 -0.00135226 -0.000169635 46
13718 128 C 40.1841 6.73067 94.8561 -0.00284263 -0.00092164 -0.00320937 46
13719 129 C 40.4686 7.53429 96.1893 -0.000595402 0.000818794 0.00320106 46
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13825 235 H 33.3072 10.7243 86.4658 0.00729011 0.0141028 0.017656 46
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13828 238 H 32.1587 13.5075 88.9036 0.00154618 -0.00751304 0.0118762 46
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13831 241 H 34.3395 12.4203 89.2418 0.00133967 0.000441692 0.0196039 46
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13840 250 H 31.8374 12.4531 95.6014 0.00285982 -0.00641193 0.00966662 46
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14510 14 C 4.34132 15.1494 78.8861 0.000959478 0.000176449 0.00387585 49
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14519 23 C 2.5035 18.0176 75.2964 -0.000857978 0.00312086 0.000157605 49
14520 24 C 2.25908 17.5806 73.9409 0.000613996 -0.00328175 0.000888227 49
14521 25 C 1.27864 16.6166 73.6954 -0.00247752 -0.00116518 0.000967617 49
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15201 101 C 5.34405 19.4847 90.4609 -0.00247936 0.00250896 -0.00122218 51
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15203 103 C 5.66749 18.9421 92.9238 -0.00351795 -0.00604992 -0.00217432 51
15204 104 C 5.39393 17.8904 94.0643 0.00205044 0.000202727 0.00422417 51
15205 105 C 5.71643 18.4259 95.4833 0.000197871 3.45231e-05 0.00248767 51
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15210 110 C 13.3543 23.8879 86.5532 -0.00178368 -2.29226e-05 -0.00284307 51
15211 111 C 12.4024 23.9681 87.78 -0.00271669 -0.00322984 0.00266548 51
15212 112 C 12.7117 22.9378 88.9006 0.00061964 0.00605778 -0.000795694 51
15213 113 C 13.4702 23.5171 90.1237 -0.000197547 0.00146911 -0.000163295 51
15214 114 C 13.344 22.6091 91.3858 0.00263589 0.0022842 -0.00543291 51
15215 115 C 13.9351 23.3035 92.6341 0.00136781 0.00116302 -0.000814372 51
15216 116 C 13.2682 22.8288 93.9332 0.00162582 0.000809443 0.000129975 51
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15219 119 C 12.6139 15.2618 84.2654 -0.00226978 0.00142157 -0.00369268 51
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15223 123 C 12.5975 14.1035 88.8116 -0.0037633 -0.00252044 -0.00334293 51
15224 124 C 13.6769 15.0152 89.4463 0.00124212 0.000710833 -0.00188153 51
15225 125 C 14.0013 14.6755 90.9289 -0.000583712 -0.00328269 0.0012539 51
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15290 190 H 9.60692 8.78805 56.0175 0.0141964 0.00777807 0.0128615 51
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15296 196 H 8.36397 11.1727 52.2019 0.0012595 0.00244543 0.00474736 51
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15299 199 H 7.71894 8.90913 51.2185 0.0019025 -1.77035e-05 0.0047476 51
15300 200 H 9.51414 10.3795 49.1793 0.00123407 0.00295305 0.00152002 51
15301 201 H 7.98018 9.52127 48.9667 -0.00893486 0.000743271 0.00684446 51
15302 202 H 8.02248 11.125 49.7526 0.005884 0.00349443 0.00636981 51
15303 203 H 7.79821 16.7512 61.7557 -0.00227653 -0.0113192 0.00170887 51
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15309 209 H 5.03682 15.914 58.6122 -0.00432431 0.00283899 0.00388236 51
15310 210 H 4.20868 17.4668 58.8501 -0.00508864 -0.00461854 -0.00173098 51
15311 211 H 5.55097 18.5869 57.1061 -0.00500861 0.00157589 0.028284 51
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15313 213 H 5.1567 15.7294 56.0702 -0.0133918 0.00111874 -0.00843962 51
15314 214 H 3.8557 16.8937 56.1432 4.59689e-05 -0.0103907 0.00728682 51
15315 215 H 5.33589 18.4252 54.617 -0.0129152 -0.000357793 -0.000228329 51
15316 216 H 6.48287 17.017 54.646 0.00296694 0.00893882 -0.0120725 51
15317 217 H 4.77023 15.5519 53.6229 0.0126166 -0.00529419 0.00716258 51
15318 218 H 3.71146 16.9038 53.4476 0.00642826 0.00774371 0.00737969 51
15319 219 H 5.5168 18.1368 52.0603 -0.0156108 0.00288591 -0.000491418 51
15320 220 H 6.44588 16.6086 52.0741 0.00425741 0.00950869 0.0134404 51
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15322 222 H 3.60278 16.8965 51.0133 0.00664655 0.0213076 -0.00201225 51
15323 223 H 4.66707 16.5063 48.8036 0.00200277 0.000295377 -0.000240642 51
15324 224 H 5.1808 18.0519 49.4095 -0.0143795 -0.00691993 -0.0074652 51
15325 225 H 7.41715 17.1528 50.1553 -0.00518613 0.00426803 0.000849445 51
15326 226 H 6.85241 15.5137 49.6393 0.00294942 0.000165612 -0.00328366 51
15327 227 H 7.15522 16.7765 48.4391 -0.0179718 -0.00442093 -0.00366816 51
15328 228 H 5.76865 20.0618 81.9293 0.00408539 0.00153562 0.00380269 51
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15330 230 H 6.48846 17.7569 83.8544 0.00544665 0.00396883 -0.00574578 51
15331 231 H 6.89129 19.4957 84.1151 -0.00265871 -0.00108884 0.0111167 51
15332 232 H 4.35199 19.9246 83.9758 0.00724478 6.65239e-05 -0.00373489 51
15333 233 H 4.07653 18.2687 84.1496 0.0023714 -0.00719904 0.0134437 51
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15335 235 H 4.03189 19.6236 86.2604 0.00753454 0.00160478 0.00835349 51
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15340 240 H 4.63806 20.0432 88.5069 -0.00530019 0.00628307 0.0110986 51
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15343 243 H 4.73667 20.3022 90.8685 -0.00266532 0.00172742 7.22157e-05 51
15344 244 H 4.26254 18.0352 91.5689 -0.00155163 0.00545213 0.013315 51
15345 245 H 5.93319 17.5218 91.2678 -0.00142489 0.000494211 -0.00193362 51
15346 246 H 6.6995 19.3116 92.881 -0.00545978 0.000498183 0.00766879 51
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15349 249 H 6.14109 17.1002 93.9199 -0.0037141 -0.00515047 0.00387327 51
15350 250 H 4.98442 19.1998 95.7453 0.0118371 0.012348 -0.00149669 51
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15352 252 H 6.73234 18.8366 95.5349 0.00616184 -0.0132793 -0.00896105 51
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15354 254 H 10.9817 22.1715 83.4472 -0.00827477 0.00475567 -0.00493338 51
15355 255 H 13.5139 21.7665 82.9341 3.27222e-05 5.60206e-05 0.00185072 51
15356 256 H 13.2882 23.2515 81.8763 0.000438774 -0.00480375 -0.00136111 51
15357 257 H 14.2703 23.7189 84.0469 -0.00247878 -0.0135634 -0.00951816 51
15358 258 H 12.7711 24.5771 83.931 -0.0156596 -0.00599342 0.0075158 51
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15360 260 H 13.0713 22.0246 85.6092 0.00295685 -0.00334153 0.00085569 51
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15363 263 H 12.4315 25.0005 88.1496 0.00472612 -0.00165504 -0.00231586 51
15364 264 H 11.3622 23.8666 87.4467 0.00213226 -0.00229234 -0.0127473 51
15365 265 H 11.7267 22.5785 89.2232 0.00178869 0.00350353 -7.74172e-05 51
15366 266 H 13.189 22.0378 88.4938 0.00722753 0.00573198 0.00770058 51
15367 267 H 14.5332 23.6459 89.8854 0.00054902 -0.00230023 0.00113418 51
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15369 269 H 12.2851 22.3466 91.5005 0.00396891 -0.00160052 -0.00207039 51
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15371 271 H 15.0239 23.1848 92.695 0.00302034 0.0129452 -0.0072541 51
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15375 275 H 13.6314 24.5778 95.0598 -0.0049957 -0.00355724 0.00344331 51
15376 276 H 13.0743 23.2332 96.0558 -0.00746998 -0.00165259 -0.00296331 51
15377 277 H 14.7652 23.3314 95.4791 -0.000175867 -0.0128681 0.0025632 51
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15379 279 H 13.0971 14.6354 82.2835 0.00475653 0.00405843 -0.00119381 51
15380 280 H 11.7365 15.5601 84.8524 0.00128017 0.0181287 -0.00684984 51
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15382 282 H 14.0145 13.5424 84.3343 0.0116581 0.00108332 0.0140549 51
15383 283 H 12.3228 13.209 84.7551 -0.00391521 0.00515193 0.00386836 51
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15385 285 H 13.8262 13.0007 86.6355 0.0102431 -0.00668025 -0.0232189 51
15386 286 H 11.5007 13.7621 87.0398 0.0009216 -0.00427681 -0.00837698 51
15387 287 H 12.0538 15.4273 87.1418 0.00427687 -0.00528885 -0.011699 51
15388 288 H 12.8856 13.0526 88.938 -6.29129e-05 -0.000940105 0.0013638 51
15389 289 H 11.673 14.2531 89.3829 0.00744525 -0.00269936 0.0148915 51
15390 290 H 13.3774 16.0596 89.2951 -0.00853188 0.000579942 0.0167972 51
15391 291 H 14.5947 14.8676 88.8638 0.00404731 0.0068818 0.000986097 51
15392 292 H 14.9119 15.2216 91.2044 0.00364755 -0.00495003 -0.00942859 51
15393 293 H 14.2096 13.6033 91.0303 -0.00891706 -0.00492587 0.000962804 51
15394 294 H 11.9191 14.6049 91.6132 -0.00691473 0.0129186 -0.00374777 51
15395 295 H 12.7366 16.1655 91.8092 0.000152908 -0.000820116 0.00166503 51
15396 296 H 13.1295 13.6831 93.5844 -0.00159763 0.000450038 0.0194725 51
15397 297 H 12.2775 15.1333 94.0561 -0.0020963 0.0021073 -0.00498139 51
15398 298 H 14.6317 16.2849 93.5225 -0.0156567 0.00264898 -0.000142902 51
15399 299 H 15.2108 14.6791 93.6092 0.00303326 0.000245692 0.0017678 51
15400 300 H 14.2555 14.4123 95.9857 0.00443576 -0.000580676 0.0106422 51
15401 301 H 13.8197 16.1158 95.9941 0.0124034 0.0101673 0.00281561 51
15402 302 H 15.5309 15.7061 95.7484 0.00286765 -0.00677093 -0.00213882 51
15403 1 C 16.1343 28.7627 79.7991 0.00122858 0.000468105 0.00293118 52
15404 2 C 16.1923 28.611 78.4084 -0.00198886 -0.00269547 0.000449785 52
15405 3 C 15.6607 27.4636 77.7891 -0.00158537 0.00079353 0.00187269 52
15406 4 C 15.065 26.466 78.5804 0.00040827 0.00422971 0.00294669 52
15407 5 C 14.9979 26.6202 79.9767 -0.00150648 -0.00285011 0.00190973 52
15408 6 C 15.5251 27.7633 80.6077 -0.0013119 -0.000582212 -0.00262074 52
15409 7 C 10.5173 25.6351 79.878 0.0032082 -0.00187641 0.000117922 52
15410 8 C 10.5926 25.6538 78.5052 0.000794964 -0.00299175 -0.00240964 52
15411 9 C 11.8109 25.4978 77.8114 -0.00465777 0.00128472 0.000939501 52
15412 10 C 12.9935 25.3362 78.581 -0.00416398 -0.00629123 -0.000335936 52
15413 11 C 12.9328 25.3794 80.0122 0.00312999 -0.00306921 0.000183665 52
15414 12 C 11.6521 25.501 80.69 -0.00561786 0.00488001 0.00129469 52
15415 13 C 16.4009 21.991 80.0624 0.00142944 -0.00169429 -0.00246746 52
15416 14 C 16.364 21.995 78.6378 0.00163391 -0.0024848 0.00236592 52
15417 15 C 15.7561 23.0325 77.9461 0.000794286 -0.000879208 -0.00105144 52
15418 16 C 15.1312 24.0769 78.6506 -0.00296324 0.0016256 0.00414012 52
15419 17 C 14.4001 25.2502 77.9678 -0.00219572 0.00120994 0.00532481 52
15420 18 O 15.8121 22.9667 82.1623 -0.00045543 -0.00237952 -0.000495022 52
15421 19 O 11.4784 25.4465 82.0465 0.00377821 -0.000607702 -0.00181101 52
15422 20 O 15.4839 27.898 81.99 0.00390388 0.00149233 -0.000151083 52
15423 21 C 15.7673 23.016 80.7795 -0.00479401 0.000764478 0.000216016 52
15424 22 C 14.3748 25.0817 76.5115 -0.00325975 0.00227399 -0.000980771 52
15425 23 C 14.2949 24.871 75.3105 0.000503846 -0.000639294 -0.00209248 52
15426 24 C 14.0565 24.5401 73.9146 0.00128678 -0.00275451 -0.00172636 52
15427 25 C 13.3707 25.4356 73.0721 0.000667903 0.00331307 -0.000168441 52
15428 26 C 13.0499 25.1011 71.7419 -0.00149202 -0.0064511 0.00101048 52
15429 27 C 13.3188 23.7413 71.3306 0.000863839 -0.000842081 0.00378865 52
15430 28 C 13.9807 22.8222 72.2093 -0.0011522 -0.00281586 -0.00109111 52
15431 29 C 14.3732 23.2456 73.4862 0.00190671 0.000634756 0.000584775 52
15432 30 C 12.8866 23.3219 70.0121 0.0057348 0.00219864 0.000505546 52
15433 31 C 12.6011 22.9754 68.8735 -0.00431085 -0.00086568 0.000718558 52
15434 32 C 10.2884 19.3922 67.3182 0.00170149 0.000652628 0.00258423 52
15435 33 C 10.1744 19.3302 65.8989 -0.000245969 -0.000828153 -0.00368905 52
15436 34 C 10.7468 20.3165 65.0359 -0.000807293 0.000695193 0.000730703 52
15437 35 C 11.4229 21.3983 65.6249 0.000815542 -0.00356602 0.00231202 52
15438 36 C 11.5699 21.4823 67.0343 0.00331466 -0.00191561 -0.000177334 52
15439 37 C 11.0079 20.47 67.8682 0.00526273 -0.00273369 -0.000250266 52
15440 38 C 12.3358 22.7592 67.4497 -0.0036132 0.000165686 -0.00197991 52
15441 39 C 16.0089 22.6874 66.3681 -0.000227511 -0.00199858 0.00170758 52
15442 40 C 15.8432 22.6332 64.9594 0.00140679 -0.00284853 0.00214251 52
15443 41 C 14.558 22.5592 64.3714 -0.00131585 0.00300979 -7.13875e-05 52
15444 42 C 13.4548 22.6117 65.2423 -0.00230023 -0.00146071 -0.00161222 52
15445 43 C 13.6525 22.6797 66.6615 0.00260026 0.00094374 0.000976458 52
15446 44 C 14.9247 22.7632 67.2328 -0.00386908 -0.00459238 0.00235532 52
15447 45 C 10.2661 25.9916 66.6632 0.00408319 -0.00017904 0.000737451 52
15448 46 C 10.2721 25.9273 65.2593 0.00164695 0.00060489 0.000229 52
15449 47 C 10.8751 24.8427 64.6071 -0.00211923 0.000131161 0.00171092 52
15450 48 C 11.4447 23.854 65.4028 -0.00346908 -0.00053497 0.000452541 52
15451 49 C 12.0313 22.5769 64.8273 0.00168887 -0.0013681 0.00136264 52
15452 50 C 11.5702 23.9371 66.7897 0.00133681 0.0021883 0.000633236 52
15453 51 C 10.9366 25.0292 67.4427 -0.00178932 -3.32439e-05 -0.00237427 52
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15458 56 C 15.0853 24.1057 80.0784 -0.00289058 -0.000401362 -0.00168032 52
15459 57 C 13.6659 21.4803 62.288 0.00271854 -0.00121802 -0.00318091 52
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15464 62 C 12.0872 22.5303 56.0552 -0.00153782 -0.00317511 -0.00208102 52
15465 63 C 12.4025 21.7282 54.7868 0.000224253 -0.00255914 0.00122821 52
15466 64 C 11.7613 22.3365 53.5129 -0.0022868 -0.00065605 0.0021948 52
15467 65 C 12.3385 21.6024 52.2222 -0.000564932 0.00348238 0.00148827 52
15468 66 C 11.713 22.1597 50.9777 0.00178883 -0.00350405 0.00326548 52
15469 67 C 12.2225 21.4578 49.717 -0.00248701 0.00110553 0.0025852 52
15470 68 C 13.7085 21.6824 49.4797 -0.00196033 -0.00118888 -0.00143898 52
15471 69 F 12.4578 25.9389 70.8786 0.00185459 -0.00213292 0.00254045 52
15472 70 C 9.68553 19.5306 62.9337 -0.00483176 0.00246931 -0.000995665 52
15473 71 C 9.88489 20.0699 61.4807 -0.00103617 0.00125867 0.000484394 52
15474 72 C 9.01705 19.4137 60.4096 0.00427415 -0.00407333 0.00391295 52
15475 73 C 9.49408 19.9195 59.0197 0.00357005 -9.60673e-05 0.00168052 52
15476 74 C 8.56334 19.4894 57.893 0.00414119 6.22478e-05 0.000500481 52
15477 75 C 9.02318 20.1139 56.5304 0.000944427 0.000644539 0.000405519 52
15478 76 C 8.32097 19.4007 55.3561 -0.00118837 0.00463461 -0.00381146 52
15479 77 C 8.81911 19.8617 53.9637 -0.000121805 0.00195267 -0.00105675 52
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15481 79 C 8.26815 19.6573 51.3957 0.000625834 0.00219148 0.0008677 52
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15483 81 C 9.57664 19.1567 49.2416 -0.00978121 0.000806623 0.00320334 52
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15485 83 C 11.7991 25.5657 60.9775 -0.00280187 0.00493047 -0.000844631 52
15486 84 C 12.9462 26.2053 60.1921 -0.0025878 -0.00368253 -0.00331421 52
15487 85 C 12.5469 26.8147 58.8542 -0.00389299 -0.00128822 -2.88363e-05 52
15488 86 C 12.515 25.8813 57.6277 0.000633622 -0.00140156 0.00468474 52
15489 87 C 12.3536 26.7139 56.3511 -0.00161025 0.00141688 0.00197686 52
15490 88 C 12.3589 25.9454 55.0268 -0.00170489 0.00231808 -0.000758768 52
15491 89 C 12.3138 26.8028 53.7581 -0.00409906 0.00311221 -0.00355683 52
15492 90 C 12.1787 25.9849 52.421 0.00303318 0.0031005 0.00179796 52
15493 91 C 12.0434 26.9861 51.2773 -0.000622843 0.00202953 -0.00146782 52
15494 92 C 11.8775 26.3187 49.9058 0.00263812 0.000146702 0.00122982 52
15495 93 C 13.119 25.5529 49.4395 -0.00131209 0.000129571 0.00262566 52
15496 94 C 10.1496 25.5037 82.5866 0.000252668 0.00340271 0.00365686 52
15497 95 C 10.0307 25.1232 84.1106 0.00559594 0.00259311 -0.000490495 52
15498 96 C 8.71115 25.5571 84.7684 -0.00221062 0.00218185 -0.000787444 52
15499 97 C 8.60064 25.1825 86.3135 0.00401951 0.00212409 -0.000436145 52
15500 98 C 9.51442 26.0917 87.2074 0.00172495 0.00105097 0.000827723 52
15501 99 C 9.08631 26.0211 88.6771 0.00200648 0.0012628 0.000318194 52
15502 100 C 10.1397 25.4893 89.6359 0.00172179 -0.00480621 -0.00196336 52
15503 101 C 9.69654 25.5833 91.1606 -0.00197861 0.00235623 -0.000374447 52
15504 102 C 10.8397 25.0725 92.0896 0.00141325 0.00162385 0.00277458 52
15505 103 C 10.7213 25.5613 93.5657 0.00347143 0.00203139 -0.00170871 52
15506 104 C 9.74953 24.817 94.4773 0.00437556 0.00143266 0.000804821 52
15507 105 C 9.93554 25.3144 95.9207 -0.00324925 -0.00070147 0.000377926 52
15508 106 C 15.572 29.2052 82.6239 0.00111111 -0.00366514 0.00132505 52
15509 107 C 16.9789 29.6467 83.0595 -0.000775831 -0.00248414 -0.000533824 52
15510 108 C 17.0732 30.7651 84.1437 0.00181875 0.000287335 -0.00160414 52
15511 109 C 16.4971 30.2644 85.5278 -0.000186781 -0.000704906 0.00152604 52
15512 110 C 17.0136 31.0145 86.7505 0.004832 0.000704847 -0.00266088 52
15513 111 C 16.4304 30.4245 88.0289 0.00216626 0.000945749 0.00533156 52
15514 112 C 17.1158 30.9871 89.2904 -0.00099421 0.00226135 -0.000752584 52
15515 113 C 16.5657 30.3449 90.561 0.000359992 0.00148747 -0.00164866 52
15516 114 C 17.4028 30.7006 91.7923 0.00190385 0.00766229 -0.000396612 52
15517 115 C 16.8835 30.0732 93.1224 -0.000411142 -0.000180428 0.00408433 52
15518 116 C 17.7464 30.4504 94.3307 0.000229478 -0.00114014 -0.00559139 52
15519 117 C 17.3206 29.7614 95.65 -0.000400567 0.00362542 -0.00596749 52
15520 118 C 16.3083 21.7926 82.9055 0.00266779 -0.00145434 0.000374269 52
15521 119 C 16.1938 21.9224 84.4409 0.00335359 0.00340559 0.0020115 52
15522 120 C 16.9952 20.9156 85.282 -0.00420677 -0.00100094 -0.00247611 52
15523 121 C 17.2246 21.3906 86.7489 0.00475134 0.00433481 0.00745742 52
15524 122 C 16.1498 21.0543 87.7537 -0.000462261 0.00217048 -0.0012632 52
15525 123 C 16.4165 21.5714 89.1838 -0.000430633 -0.000243958 -0.0014084 52
15526 124 C 17.8407 21.2687 89.7111 -0.00599467 0.0010103 -0.00298623 52
15527 125 C 18.0916 21.6455 91.2033 -0.00497259 -0.0015017 0.00222685 52
15528 126 C 17.13 20.8428 92.1773 0.00030395 0.00177134 -0.0012288 52
15529 127 C 17.7588 20.5628 93.521 -0.00273642 -0.000429649 0.00317273 52
15530 128 C 17.705 21.7746 94.4858 -0.00399503 0.00390226 -0.00406146 52
15531 129 C 18.3221 21.4696 95.845 0.000432206 -0.00282492 0.000352464 52
15532 130 F 13.0264 26.661 73.5614 -0.00192438 0.00113269 0.00202643 52
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15690 288 H 15.6715 21.1298 89.8572 0.00115702 0.00455966 0.0034925 52
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15707 3 C 19.6661 20.5738 77.123 0.00610941 -0.00375003 0.00492184 53
15708 4 C 19.0493 19.6316 77.9313 0.00256876 -0.0053403 -0.0010399 53
15709 5 C 19.0122 19.7774 79.33 0.00155019 0.000998451 0.00539965 53
15710 6 C 19.5599 20.9136 79.9562 -0.00116311 -0.00354699 0.00114543 53
15711 7 C 14.3803 18.7562 79.1809 -0.00103849 0.00558307 0.000488837 53
15712 8 C 14.4553 18.634 77.7764 -0.00401724 -0.00252784 -0.00243181 53
15713 9 C 15.7106 18.4966 77.1795 -0.00162377 -0.000765934 -0.00346953 53
15714 10 C 16.8589 18.4919 77.9556 -0.0043346 0.00175956 -0.00448403 53
15715 11 C 16.801 18.5961 79.3699 -0.00320463 0.00168744 0.00683042 53
15716 12 C 15.5648 18.7026 79.997 0.00181806 0.00450736 0.00246738 53
15717 13 C 20.0785 15.1979 79.5489 0.000489786 -0.00118995 -0.00367605 53
15718 14 C 19.9435 15.054 78.1859 0.00124858 -0.000371016 -0.00125518 53
15719 15 C 19.411 16.1196 77.4543 0.00362752 0.0022437 -0.00127412 53
15720 16 C 18.9351 17.2492 78.1008 0.000282412 0.000351961 -0.00553444 53
15721 17 C 18.2828 18.4315 77.3796 0.00226593 0.00404769 0.000575158 53
15722 18 O 19.7563 16.4491 81.6462 0.00324378 0.0020378 -0.00403767 53
15723 19 O 15.393 18.7628 81.3518 0.00336402 0.000149608 0.00292175 53
15724 20 O 19.4079 21.119 81.3541 0.00147418 1.91674e-05 0.00287355 53
15725 21 C 19.6154 16.3355 80.2617 -0.00553779 -0.00373876 0.00166505 53
15726 22 C 18.2941 18.3135 75.9275 0.005936 0.00199011 -0.000556964 53
15727 23 C 18.1819 18.0448 74.7544 -0.000861453 -0.00168143 -0.00276606 53
15728 24 C 17.8752 17.6627 73.4231 -0.000369986 -0.00116627 -0.000143653 53
15729 25 C 17.0803 18.5391 72.6265 0.00513121 0.00312395 0.000155947 53
15730 26 C 16.6243 18.0733 71.4008 -0.00151082 -0.00177888 -0.00041306 53
15731 27 C 16.9187 16.7579 70.977 -0.00322596 0.000230912 -0.00166534 53
15732 28 C 17.697 15.8972 71.7446 -0.0035819 -6.6827e-05 0.00200533 53
15733 29 C 18.1982 16.3952 72.9578 0.00354623 0.000996653 0.00212196 53
15734 30 C 16.5872 16.36 69.6433 0.000836023 0.00269036 -0.000910584 53
15735 31 C 16.4436 16.11 68.4665 0.00269746 -0.000903416 -0.00528577 53
15736 32 C 14.6435 12.5186 66.7615 0.00235091 -0.00160955 0.00102864 53
15737 33 C 14.605 12.4126 65.3679 -0.00128386 0.00073651 -0.00190686 53
15738 34 C 15.0725 13.4457 64.5662 5.83895e-05 -0.000637924 -0.00471819 53
15739 35 C 15.5649 14.6395 65.1297 0.00138126 -0.00218334 -0.0015348 53
15740 36 C 15.6275 14.7033 66.5368 -0.000457086 -0.00132037 0.00316868 53
15741 37 C 15.1419 13.6942 67.3619 -0.00187445 -0.000738063 0.000953615 53
15742 38 C 16.3329 15.9582 67.0546 0.00140478 -0.000288426 -0.00305208 53
15743 39 C 20.0685 15.7206 66.2839 0.000423514 0.00269583 -0.000825606 53
15744 40 C 20.0386 15.7005 64.8712 0.0033042 -0.0066751 -0.00277678 53
15745 41 C 18.8137 15.8262 64.2023 -0.00112881 -0.00222042 0.00196885 53
15746 42 C 17.6312 15.8312 64.948 -0.000179064 0.00482482 -0.000326374 53
15747 43 C 17.6796 15.9097 66.361 0.00193329 -0.000369568 -0.000269218 53
15748 44 C 18.8845 15.8398 67.0212 -0.00228142 0.00336255 -0.000804793 53
15749 45 C 14.1593 19.1074 66.2519 0.0015328 -0.00286033 -0.00138222 53
15750 46 C 14.1796 19.0191 64.8581 0.000639466 -0.00235789 0.00335989 53
15751 47 C 14.7896 17.952 64.2032 -0.000323223 0.0024809 -0.00397967 53
15752 48 C 15.5086 17.0104 64.9677 0.000347006 -0.0015151 0.000605264 53
15753 49 C 16.1955 15.8219 64.3967 0.00150596 0.0015109 0.00174308 53
15754 50 C 15.5467 17.1146 66.3917 0.00101641 0.000650198 -0.00667734 53
15755 51 C 14.8946 18.1907 67.0252 0.00739216 -0.00104413 0.00207246 53
15756 52 O 18.8086 15.8316 62.8207 6.72742e-05 -0.00213197 -0.00425135 53
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15758 54 O 14.6186 17.7969 62.8312 0.000617853 0.00394749 -0.00138266 53
15759 55 C 18.2423 18.6179 80.0126 -0.00682809 -0.00137306 0.00163389 53
15760 56 C 18.9883 17.3506 79.4881 -0.00210151 0.00175804 0.00256883 53
15761 57 C 18.3234 16.9998 62.1667 0.000477265 0.00180909 -0.0010531 53
15762 58 C 17.5495 16.5658 60.9264 0.00029138 0.000318622 0.00386294 53
15763 59 C 18.4721 16.2178 59.7098 -0.00011992 0.00302141 0.00459188 53
15764 60 C 18.0882 14.9049 58.9839 0.000876002 0.00354172 -0.00355636 53
15765 61 C 16.6331 14.7397 58.4997 -0.00147224 0.00177004 0.00349755 53
15766 62 C 16.2707 15.3516 57.1581 0.000233266 0.000957247 -0.000382037 53
15767 63 C 16.9509 14.5917 56.0001 0.000225753 -4.63279e-05 -8.31931e-05 53
15768 64 C 16.5321 15.2447 54.6682 0.00222175 0.00052607 0.00292469 53
15769 65 C 17.2102 14.5663 53.4528 0.000458118 -0.00486059 0.00358151 53
15770 66 C 16.7525 15.2387 52.1596 0.00218091 0.00190622 0.00422153 53
15771 67 C 17.4874 14.699 50.9558 0.000343496 -0.0011303 0.00323019 53
15772 68 C 17.1338 15.4375 49.6442 0.000650519 -0.00176211 0.000749997 53
15773 69 F 15.8925 18.8957 70.6036 0.000292247 0.00336874 0.00377158 53
15774 70 C 16.0893 12.2549 62.7727 -0.00412679 -0.00139315 -0.00404268 53
15775 71 C 16.7352 12.714 61.472 -0.00135897 -0.00207855 0.00331891 53
15776 72 C 16.8953 11.647 60.3789 -0.00441484 -0.00134839 0.00049534 53
15777 73 C 17.3362 10.2437 60.8626 0.00155044 -0.00106753 0.0010131 53
15778 74 C 18.2336 9.57653 59.8146 0.00110403 -0.00188265 0.00100112 53
15779 75 C 17.5319 9.21443 58.4889 0.00401585 -0.00412156 0.00197669 53
15780 76 C 17.568 10.3149 57.3701 0.00490068 -0.0022169 -0.00197284 53
15781 77 C 16.968 9.734 56.0555 0.00207121 -0.00218554 0.00131615 53
15782 78 C 17.2251 10.4884 54.7396 0.00244958 0.00425211 0.000452145 53
15783 79 C 16.6098 9.79197 53.5246 -0.0011598 -0.00400634 0.00243265 53
15784 80 C 16.7942 10.5886 52.2553 0.000362 -0.00311503 -0.00312192 53
15785 81 C 16.3914 9.82124 50.9833 0.0018031 -0.00139076 -0.00141683 53
15786 82 C 13.3243 17.4346 62.3788 -0.00159291 -0.000618294 -0.00067445 53
15787 83 C 13.1265 17.9677 61.0022 0.00210423 0.00270587 -0.00184438 53
15788 84 C 13.9213 17.1824 59.9425 0.00226231 0.00162589 0.00161311 53
15789 85 C 13.8254 17.7561 58.5092 -0.00143283 -0.000167828 0.00270182 53
15790 86 C 12.6586 17.211 57.7005 -0.000210987 0.000852742 0.001714 53
15791 87 C 12.8435 17.6379 56.2264 -0.00106013 0.000211786 0.00459888 53
15792 88 C 11.6946 17.1738 55.348 0.00084249 -0.00136674 0.00177112 53
15793 89 C 11.7123 17.5897 53.8546 0.000599339 0.00180648 0.00163961 53
15794 90 C 12.8274 16.8824 53.0249 -2.47568e-05 0.00442681 -0.00225312 53
15795 91 C 12.7602 17.4026 51.5808 0.000599679 0.00384992 0.00158798 53
15796 92 C 13.8683 16.8299 50.6846 -0.00502301 0.00142588 0.00157702 53
15797 93 C 13.8009 17.4316 49.2868 0.00226847 0.00196652 0.0029296 53
15798 94 C 14.1082 19.0583 81.9654 0.000351416 0.00387953 0.00236986 53
15799 95 C 14.0498 18.8594 83.5182 0.00373428 -0.00128319 -0.00294278 53
15800 96 C 12.6369 19.1176 84.0527 -0.000131442 -0.00155032 -0.00388835 53
15801 97 C 12.3333 18.6594 85.4813 0.00134031 0.000160816 -0.00115885 53
15802 98 C 13.2983 19.0629 86.6254 0.00339027 -0.00149096 -0.00267564 53
15803 99 C 12.7272 18.545 87.9644 -0.00557185 0.000533658 0.00485847 53
15804 100 C 13.6109 18.8602 89.1535 0.0025879 9.61885e-05 0.000878727 53
15805 101 C 12.7834 18.8861 90.3929 -0.00355984 -0.000904801 0.00341648 53
15806 102 C 13.6132 18.8606 91.7057 -0.0026171 5.75146e-05 -0.00275066 53
15807 103 C 12.679 19.0481 92.8961 -3.43162e-05 -2.32457e-05 5.03761e-05 53
15808 104 C 13.2389 18.6865 94.2911 -0.00181217 -0.00326391 -0.00238384 53
15809 105 C 14.7133 19.0818 94.5784 -0.000318697 -0.0010628 -0.00445549 53
15810 106 C 19.8243 22.39 81.9417 -0.00630511 0.00370998 0.00268763 53
15811 107 C 19.7583 22.3757 83.5175 6.8271e-05 0.00630482 0.00518608 53
15812 108 C 20.4052 23.5698 84.3 -0.0020436 0.00156684 0.000491686 53
15813 109 C 20.5588 23.1585 85.7837 -0.00476176 0.000620912 0.00258032 53
15814 110 C 20.9133 24.296 86.7806 0.00128337 -0.0017237 -0.000349359 53
15815 111 C 21.3288 23.6215 88.1544 -0.0010079 0.00144962 0.00183606 53
15816 112 C 20.9524 24.3704 89.4641 0.00300765 -0.00206061 -0.00165069 53
15817 113 C 21.3629 23.5648 90.7132 -0.00246539 -0.00048919 -0.00123896 53
15818 114 C 20.8485 24.1043 92.0704 0.00244256 0.000948039 0.00361799 53
15819 115 C 21.1701 23.1654 93.2284 -0.00254349 -0.00157971 0.00187092 53
15820 116 C 21.0203 23.8017 94.6156 -0.00442784 0.000312866 -0.00175459 53
15821 117 C 21.871 23.0789 95.6852 4.15637e-05 0.00126784 0.00250838 53
15822 118 C 20.2748 15.2584 82.3189 -0.00146409 0.00159263 0.000962675 53
15823 119 C 20.3126 15.363 83.8839 0.00301901 -0.00129874 -0.000147267 53
15824 120 C 21.0749 14.1162 84.4507 -0.00443066 0.0042173 -0.000588524 53
15825 121 C 21.5997 14.3836 85.866 0.000281014 0.000769951 0.00408511 53
15826 122 C 20.6502 14.059 86.9837 0.00301315 -0.000856771 0.00370296 53
15827 123 C 21.3739 14.2445 88.3032 -0.0064424 0.00102175 -0.0046579 53
15828 124 C 20.5699 13.9282 89.536 -0.00100421 0.000921758 -0.000858301 53
15829 125 C 21.4225 14.1259 90.8214 0.00157287 -0.00316899 -0.0030677 53
15830 126 C 20.6155 13.8846 92.1201 -0.00120041 -0.00104686 -0.00339963 53
15831 127 C 21.4958 14.157 93.3635 -0.00138819 0.00201757 0.00150791 53
15832 128 C 20.765 13.8202 94.6621 0.00458045 -0.000236333 -0.00347503 53
15833 129 C 21.5368 14.2805 95.8822 -0.00251358 0.00126163 0.000177816 53
15834 130 F 16.7497 19.7322 73.0625 -0.0023716 -0.000406297 0.00202204 53
15835 131 H 20.6139 22.7852 79.535 0.0109392 -0.00128367 -0.00300171 53
15836 132 H 20.7964 22.4145 77.0743 -0.00181688 0.00527417 -0.00854964 53
15837 133 H 19.6947 20.4209 76.0482 -0.0111292 -0.00217254 0.00423469 53
15838 134 H 13.3787 18.8337 79.5935 -0.00347113 0.00455061 -0.00522029 53
15839 135 H 13.551 18.607 77.1757 -0.00317494 -0.00256687 -0.00369699 53
15840 136 H 15.757 18.4778 76.0947 -0.0102892 0.0148569 -0.00412768 53
15841 137 H 20.5798 14.3814 80.0603 -0.0114777 -0.0132173 -0.0111538 53
15842 138 H 20.3052 14.1638 77.68 -0.00719438 -0.0081777 0.00644989 53
15843 139 H 19.3197 15.9897 76.3799 -0.00557752 0.00942293 -0.00135463 53
15844 140 H 17.8702 14.8644 71.4571 -0.00427694 -0.00212458 0.00894143 53
15845 141 H 18.7374 15.7222 73.6179 -0.0117764 -0.0127967 0.000598591 53
15846 142 H 14.2725 11.671 67.3301 -5.40085e-05 0.000275805 0.00226558 53
15847 143 H 14.2219 11.5052 64.9106 -0.0051863 0.0014204 1.36271e-06 53
15848 144 H 15.2621 13.718 68.441 -0.0151905 0.00319467 0.00233385 53
15849 145 H 21.0023 15.6131 66.8277 0.00238856 -0.0162683 -0.00795446 53
15850 146 H 20.9744 15.5126 64.3531 0.00451925 -0.0186735 0.00370845 53
15851 147 H 18.9697 15.756 68.1006 -0.00387581 0.00874931 -0.000270624 53
15852 148 H 13.5697 19.8781 66.7396 0.00781778 -0.0074466 0.0134511 53
15853 149 H 13.6032 19.7504 64.2992 -0.00542708 -0.00118572 0.0111481 53
15854 150 H 16.0945 15.7093 63.3102 0.0211156 -0.0079191 0.000895826 53
15855 151 H 14.9157 18.2974 68.1057 -0.0192735 -0.00238558 0.00271731 53
15856 152 H 18.1983 18.7075 81.105 0.0156265 0.00473442 0.0020222 53
15857 153 H 17.6339 17.5381 62.8287 -0.00161157 0.020963 -0.0187858 53
15858 154 H 19.1354 17.7071 61.9577 0.00947423 -0.0060168 0.00739961 53
15859 155 H 16.9312 17.4395 60.686 -0.0130472 -0.00507952 0.0184518 53
15860 156 H 16.8558 15.7548 61.1803 0.00496568 -0.00578718 -0.00287427 53
15861 157 H 19.517 16.1411 60.0351 -0.000336349 0.00139272 0.00490775 53
15862 158 H 18.4093 16.9865 58.9297 -0.0247482 0.00669702 0.010181 53
15863 159 H 18.31 14.1156 59.7129 -0.0123232 -0.00986235 -0.0141143 53
15864 160 H 18.7747 14.7056 58.1518 0.00260105 0.00940496 -0.00352993 53
15865 161 H 15.9572 15.133 59.269 0.00641373 0.0146261 0.00385564 53
15866 162 H 16.4335 13.6633 58.4282 -0.0045164 0.00285449 -0.00430479 53
15867 163 H 16.5985 16.3981 57.187 0.00204247 0.000372777 0.00030185 53
15868 164 H 15.1789 15.3501 57.052 -0.000884906 0.0178938 0.0107011 53
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15870 166 H 18.0456 14.5969 56.0698 0.000251001 0.0119573 -0.00135827 53
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15872 168 H 15.444 15.1688 54.5515 0.0015015 0.00209204 0.00863951 53
15873 169 H 16.9673 13.4979 53.398 0.0198649 -0.00815812 -0.0183793 53
15874 170 H 18.2917 14.6331 53.6238 0.00166589 -0.00410165 -0.00446117 53
15875 171 H 17.0052 16.3051 52.2093 0.00449718 0.0018773 -0.006726 53
15876 172 H 15.6669 15.1445 52.0336 0.00075763 0.00562671 0.0137066 53
15877 173 H 17.2315 13.6377 50.8478 -0.000320468 -0.00148843 0.00834727 53
15878 174 H 18.5647 14.753 51.1557 0.000959261 -0.0124085 0.00296997 53
15879 175 H 16.1047 15.1943 49.3521 0.00502814 0.00835316 -0.0230334 53
15880 176 H 17.8265 15.0319 48.8965 -0.00172653 -0.0129433 0.0045901 53
15881 177 H 17.26 16.5272 49.647 -0.00238104 -0.00144722 0.010278 53
15882 178 H 16.8326 12.0329 63.5484 -0.00421921 0.00547542 -0.00199647 53
15883 179 H 15.5234 11.3222 62.6574 0.0071908 -0.00848968 -0.0021656 53
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16020 14 C 23.903 21.9367 78.6435 -0.00538924 0.000983909 0.00384953 54
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16022 16 C 22.8242 24.0925 78.4839 0.000352691 -0.000762338 0.000434422 54
16023 17 C 22.1601 25.2373 77.7665 -0.00130915 -0.00226245 -0.00124288 54
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16030 24 C 21.4573 24.2815 73.8465 -0.00320075 0.000958739 -0.000584481 54
16031 25 C 21.8803 23.0499 73.3212 -0.00398075 0.000706694 -0.000708727 54
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16034 28 C 20.2011 24.6564 71.774 0.00189927 0.000319884 0.00018597 54
16035 29 C 20.6302 25.0948 73.021 -0.0028855 0.00257676 0.00265153 54
16036 30 C 20.3221 23.0236 69.9476 0.000875395 0.00292194 0.00441476 54
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16038 32 C 18.1626 19.2845 66.8573 -0.00362631 -0.00121581 0.00037068 54
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16044 38 C 20.0145 22.6522 67.3426 0.00150751 0.000967106 0.00219637 54
16045 39 C 23.8214 22.7312 66.5369 0.00312891 0.00207233 -0.000661079 54
16046 40 C 23.7422 22.6415 65.1334 0.00128587 -0.00128805 -0.00029543 54
16047 41 C 22.5237 22.6013 64.4958 -0.000997831 -0.00337336 0.000395187 54
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16050 44 C 22.6509 22.7599 67.3263 0.0018239 0.00363622 -0.000158425 54
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16055 49 C 19.8999 22.6245 64.7305 -0.000387266 -0.0041555 0.00561057 54
16056 50 C 19.3325 23.8888 66.7247 0.00185566 0.00261718 0.0038019 54
16057 51 C 18.7334 24.9905 67.4246 -0.00322401 -0.000523238 0.000158661 54
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16062 56 C 22.8745 24.24 79.8912 -0.00674578 -0.00250405 0.000851496 54
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16078 72 C 16.5461 20.211 60.2089 -0.000366561 -0.000873163 -0.00195526 54
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16089 83 C 20.5248 26.1734 61.4249 -0.00184533 0.00455281 -0.00447836 54
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16091 85 C 20.2865 26.8184 58.9178 -0.00177516 0.00108513 0.00161848 54
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16095 89 C 20.0497 27.3735 53.8324 -0.00392123 0.00341413 0.000647695 54
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16103 97 C 17.3615 25.5423 85.5463 0.000316347 -0.00319099 0.000549259 54
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16105 99 C 17.0912 25.4994 88.0578 -0.00233602 0.00161589 -0.00360273 54
16106 100 C 16.3238 26.027 89.2945 -0.00233248 0.000605612 0.00153963 54
16107 101 C 17.0277 25.5046 90.5972 0.00160383 0.00526743 -0.000670148 54
16108 102 C 16.5202 26.1239 91.8647 -0.000730007 0.00281468 0.00471508 54
16109 103 C 17.225 25.5707 93.1148 5.38618e-05 -0.00354899 -0.00401207 54
16110 104 C 16.5814 25.9683 94.465 0.00168236 -0.00199832 -0.00365033 54
16111 105 C 17.3966 25.4509 95.7001 0.0052732 0.00092932 0.000385618 54
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16313 5 C 26.7066 19.8421 80.128 -0.00264267 -0.00190378 -0.00118631 55
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16332 24 C 25.6261 17.1105 74.5045 -0.00287515 0.000881105 -0.000472516 55
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16336 28 C 24.4132 17.6356 72.4837 0.000721815 0.00174647 0.00359952 55
16337 29 C 24.9351 18.0612 73.7307 0.00357469 0.000498969 0.00149097 55
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16569 261 H 29.8206 22.0753 86.3671 -0.00467405 -0.00513202 0.00366881 55
16570 262 H 30.6357 23.4439 87.0348 -0.0053902 -0.000314956 0.00837361 55
16571 263 H 28.1428 22.0876 88.1628 0.00470415 -0.0135538 0.00182484 55
16572 264 H 29.8543 21.8049 88.603 -0.00513963 0.00713825 0.00941296 55
16573 265 H 29.947 24.2317 89.4057 0.00777394 -0.00915583 0.00612827 55
16574 266 H 28.1946 24.2738 89.1641 -0.00277694 -0.00409756 -0.00182832 55
16575 267 H 28.0293 22.158 90.6675 -0.00238386 0.000322852 -0.00207196 55
16576 268 H 29.7682 22.1602 90.7729 -0.0104098 -0.00761033 0.00735651 55
16577 269 H 29.8029 24.3324 91.9143 0.00137695 -0.00168154 -0.0137826 55
16578 270 H 28.0123 24.2187 92.0638 0.000424532 0.00122162 -0.00391381 55
16579 271 H 28.3604 21.9629 93.3817 -0.000907819 0.00329696 0.00296682 55
16580 272 H 30.0604 22.317 93.2313 -0.00195262 0.00154283 0.013594 55
16581 273 H 29.7564 24.4795 94.5234 0.000963601 0.00526241 0.0145452 55
16582 274 H 28.0428 24.1981 94.5822 0.00653782 0.0117903 0.0161006 55
16583 275 H 30.1142 22.2868 95.8325 0.00127602 -0.00403897 -0.0213157 55
16584 276 H 29.2622 23.6025 96.6501 0.00868647 -0.00908948 -0.000404352 55
16585 277 H 28.3319 22.2485 96.0359 -0.00111311 0.00334332 0.00980446 55
16586 278 H 26.9154 15.704 84.6076 0.0103824 0.0170074 0.00216281 55
16587 279 H 27.123 14.4846 83.3317 0.00239553 -0.00411102 0.0032785 55
16588 280 H 29.1992 16.2078 84.7612 -0.0138889 0.00110855 0.00634035 55
16589 281 H 29.4738 15.2501 83.2559 -0.00980697 -0.00989549 -0.00227555 55
16590 282 H 30.1453 13.8694 85.4246 0.00203296 0.00134525 0.000444478 55
16591 283 H 28.9177 13.1284 84.4344 -0.00213329 -0.0014023 0.00297008 55
16592 284 H 28.1392 12.8954 86.6534 0.00447603 0.003903 0.00778934 55
16593 285 H 27.1601 14.1421 85.9908 0.00075059 0.00242422 -0.00482954 55
16594 286 H 27.5162 15.0285 87.9575 -0.00349047 0.011585 -0.00461786 55
16595 287 H 28.6859 15.9181 87.0419 -0.00650458 -0.00398847 -0.00749587 55
16596 288 H 30.5179 14.5607 88.0827 0.0022728 0.0021775 -0.00873557 55
16597 289 H 29.3723 13.3686 88.6308 0.00318181 -0.0026012 -0.00352885 55
16598 290 H 28.3063 15.3749 90.0503 0.00261993 -0.00022679 0.00875398 55
16599 291 H 29.8064 16.1881 89.7285 -6.84369e-05 -0.000146494 0.00657215 55
16600 292 H 31.1345 14.4032 90.8434 -0.00106854 0.00754653 -0.00619304 55
16601 293 H 29.759 13.3686 90.9195 -0.00410629 -0.00237757 -0.0152034 55
16602 294 H 28.5907 15.1539 92.4189 0.000272913 0.000217668 -0.0289392 55
16603 295 H 30.029 16.096 92.3753 -0.0040081 0.00260357 0.0037986 55
16604 296 H 31.3807 14.2568 93.3364 0.00652249 -0.00582889 0.00942146 55
16605 297 H 29.9164 13.2596 93.5145 0.0108152 -0.006293 0.00580512 55
16606 298 H 30.4976 15.911 94.8673 0.0141205 -0.00612988 -0.00695268 55
16607 299 H 30.4725 14.3323 95.693 0.00651016 0.0160453 0.0110652 55
16608 300 H 28.4798 15.7011 96.1722 0.00813387 -0.0079287 0.00756591 55
16609 301 H 28.1037 14.0398 95.5512 0.0175918 -0.00364133 0.00671652 55
16610 302 H 27.9944 15.5069 94.5133 0.00911527 -0.00224613 -0.00406875 55
16611 1 C 31.4706 28.7895 80.0544 -0.00150626 -0.00211447 0.00293421 56
16612 2 C 31.5029 28.7462 78.6216 -0.000277463 -0.000694706 -0.00127296 56
16613 3 C 31.0124 27.6359 77.9531 0.000444131 -0.00463296 2.89809e-05 56
16614 4 C 30.5024 26.5558 78.6907 -0.00167715 -0.000108641 -0.00317455 56
16615 5 C 30.4918 26.6135 80.0977 -0.0011774 -0.000467126 0.000176972 56
16616 6 C 30.9518 27.7545 80.7855 -0.000845572 0.000815184 0.00281679 56
16617 7 C 26.0251 25.4745 80.0344 0.00379546 0.00235453 -0.000154414 56
16618 8 C 26.0481 25.2846 78.657 0.00593782 0.0027441 -0.000418323 56
16619 9 C 27.2523 25.2238 77.9464 0.000880792 0.003256 -0.00394586 56
16620 10 C 28.4327 25.3205 78.7026 -0.00128902 -0.00119338 0.0023268 56
16621 11 C 28.4148 25.3633 80.1198 -1.02034e-05 -0.000976235 -0.000677181 56
16622 12 C 27.1909 25.5214 80.7995 0.000862964 8.37921e-05 7.13637e-05 56
16623 13 C 31.8142 22.0901 79.9909 0.00140577 0.00148739 0.00178712 56
16624 14 C 31.7548 22.0332 78.602 0.00203396 -0.00406504 -0.00108875 56
16625 15 C 31.1096 23.0898 77.9473 0.00297876 -0.000303813 0.00107291 56
16626 16 C 30.5248 24.1433 78.6816 0.00370431 0.00100207 0.000898502 56
16627 17 C 29.8265 25.329 78.0772 0.00291338 0.00233968 0.00385835 56
16628 18 O 31.3557 22.9572 82.1705 0.000329536 0.000240524 0.00206923 56
16629 19 O 27.1499 25.7421 82.167 -0.00104821 0.00230007 -0.00081039 56
16630 20 O 30.9059 27.7364 82.1643 0.00350099 0.000293367 -0.000136505 56
16631 21 C 31.2313 23.0766 80.7826 0.00325463 0.000767665 0.000913222 56
16632 22 C 29.8647 25.267 76.6247 0.00535297 0.00185642 0.000818673 56
16633 23 C 29.7779 25.093 75.427 -0.0029549 0.000690116 0.00336638 56
16634 24 C 29.5094 24.7985 74.0731 0.00122324 0.000608599 -0.000244532 56
16635 25 C 28.7668 25.6157 73.236 0.00105333 0.00190912 -0.00219933 56
16636 26 C 28.3373 25.197 71.9767 -0.00121199 0.00137437 -0.00113962 56
16637 27 C 28.6675 23.9003 71.5625 0.00324253 0.000293117 0.000154609 56
16638 28 C 29.4063 23.0439 72.3595 9.41512e-05 0.00204148 -0.00240382 56
16639 29 C 29.8403 23.5209 73.6072 0.000927757 -0.00226775 -0.000586166 56
16640 30 C 28.2758 23.457 70.2848 -6.59421e-05 0.00424466 -0.000432351 56
16641 31 C 28.0848 23.1045 69.1652 0.00256228 -0.000411004 -0.00159874 56
16642 32 C 25.8943 19.6014 67.6341 0.00385186 -0.00115562 -0.00322199 56
16643 33 C 25.8294 19.4472 66.2463 0.00165475 0.00529472 0.000937445 56
16644 34 C 26.4699 20.3613 65.3939 -0.000269149 0.0016263 -0.00127404 56
16645 35 C 27.0898 21.4706 65.9183 0.00148685 -0.00239474 0.00178301 56
16646 36 C 27.1546 21.647 67.3117 0.00153585 -0.00322024 0.000861734 56
16647 37 C 26.5735 20.7003 68.1809 -0.00136145 -0.000595077 0.00373132 56
16648 38 C 27.9478 22.9003 67.7086 0.000307041 -0.00397082 -0.000141763 56
16649 39 C 31.7256 22.805 66.7372 0.000131364 0.00060795 0.0074119 56
16650 40 C 31.5756 22.7695 65.3265 0.000209291 -0.000306438 0.00148034 56
16651 41 C 30.2869 22.6999 64.7794 -0.00125026 -0.00646054 -0.00358699 56
16652 42 C 29.1714 22.676 65.5882 0.00123247 -0.000890422 -0.000698692 56
16653 43 C 29.2918 22.7845 66.9861 -0.00440748 -0.00124791 0.00731916 56
16654 44 C 30.5583 22.8015 67.5468 -0.002221 -0.00421456 0.00104133 56
16655 45 C 26.0761 26.1843 66.8667 0.000160259 -0.00319467 -0.0018938 56
16656 46 C 26.0258 26.0562 65.4747 -0.00236413 0.00319305 0.00275973 56
16657 47 C 26.4987 24.8862 64.8074 0.00365514 -0.00199337 0.00591432 56
16658 48 C 27.0789 23.8833 65.6179 -0.000158594 -0.00536407 0.000813842 56
16659 49 C 27.7162 22.6156 65.0931 -0.000221506 -0.00579606 0.00264891 56
16660 50 C 27.2002 24.0278 67.0091 -0.000520742 -0.000146854 0.000288531 56
16661 51 C 26.6888 25.1799 67.6224 0.00229901 0.00146267 0.000505162 56
16662 52 O 30.026 22.8086 63.4657 0.00215858 0.000831548 0.00135887 56
16663 53 O 26.5459 20.1665 64.0338 -0.00127356 -0.00101527 0.00227048 56
16664 54 O 26.4791 24.9011 63.4014 -0.0015505 -0.003422 0.00176754 56
16665 55 C 29.7977 25.3597 80.7204 0.00236862 0.00333338 -0.00354243 56
16666 56 C 30.5329 24.1355 80.1023 -0.00213986 -0.000681776 -0.000251484 56
16667 57 C 30.5773 21.9516 62.4741 -0.00193745 0.00173263 -0.00212747 56
16668 58 C 29.6114 22.1621 61.3435 0.00298568 0.00425515 -0.000272598 56
16669 59 C 30.2413 21.7593 60.0119 0.00243805 -0.00148871 -0.000436302 56
16670 60 C 29.2863 22.0972 58.8521 -0.00120881 -0.000199825 0.00336867 56
16671 61 C 29.8211 21.5919 57.5135 0.00186228 0.000340776 0.00150872 56
16672 62 C 28.698 21.8823 56.4778 -0.00108668 0.000986466 0.00143575 56
16673 63 C 29.1372 21.3613 55.0813 0.00248711 -0.00203933 -0.00262159 56
16674 64 C 28.1226 21.5953 53.9772 -0.00324341 0.000904605 -0.0030604 56
16675 65 C 28.8277 21.5958 52.6482 -0.00206908 0.000793717 0.00238225 56
16676 66 C 27.9374 21.7822 51.4621 -0.00188858 0.000905697 0.00112178 56
16677 67 C 28.7213 21.9108 50.1367 -0.00214199 -0.0034574 0.00031134 56
16678 68 C 27.7392 22.1789 49.0036 0.00393933 0.00039583 5.32762e-05 56
16679 69 F 27.5917 26.0503 71.1806 0.00244069 0.0023342 0.000813877 56
16680 70 C 25.3968 20.1361 63.2171 0.00167513 0.00279033 0.00152053 56
16681 71 C 25.5342 21.2006 62.1171 -0.00206316 -0.00368861 0.00126997 56
16682 72 C 26.0379 20.735 60.7413 -0.000706562 0.00192361 -0.00205326 56
16683 73 C 25.0349 19.7736 60.0448 -0.000324941 0.00200095 0.00280034 56
16684 74 C 25.3091 19.5751 58.5553 0.00182927 0.00166198 0.00117084 56
16685 75 C 25.0281 20.8365 57.6475 0.000510815 -3.9266e-05 0.00414214 56
16686 76 C 24.9743 20.3954 56.1544 -0.00114951 -0.000212524 0.00102914 56
16687 77 C 24.136 21.3389 55.2483 0.00129246 0.00603387 0.00319436 56
16688 78 C 23.6488 20.7071 53.9594 -0.00126469 0.000875364 -0.00142095 56
16689 79 C 24.7689 20.4172 52.9627 -0.00246102 0.00109083 0.00402527 56
16690 80 C 24.2793 19.9666 51.5872 0.000417777 0.00220199 -0.0030954 56
16691 81 C 23.3088 18.7673 51.6169 -0.00103072 -0.00369807 -0.00195834 56
16692 82 C 27.615 24.6773 62.596 0.00311132 0.000232829 0.000745468 56
16693 83 C 27.8225 25.847 61.6159 -0.000906909 0.000326835 0.00555713 56
16694 84 C 27.5425 25.4961 60.123 -0.000588116 -0.00189534 0.00360054 56
16695 85 C 28.5643 26.1213 59.1645 0.00196415 0.00132885 -0.001164 56
16696 86 C 28.2056 25.9341 57.6798 0.00368045 -0.00341128 -0.00240895 56
16697 87 C 29.3441 26.4888 56.7965 0.000761912 -0.00442028 -0.00185663 56
16698 88 C 29.0452 26.5705 55.2839 -0.00214016 0.00144199 0.0020068 56
16699 89 C 28.5994 25.2481 54.6354 -0.00583954 0.00166932 -0.00363215 56
16700 90 C 27.9287 25.3643 53.2711 0.00048377 -0.00337061 -0.00575135 56
16701 91 C 28.8139 25.978 52.1601 0.00330199 -0.00282626 -0.00259014 56
16702 92 C 28.1236 25.8405 50.7981 0.00242021 0.00164518 -0.00434548 56
16703 93 C 28.9929 26.3403 49.641 -0.00298791 0.00349305 -0.00121865 56
16704 94 C 25.884 25.8704 82.7996 0.000423363 0.00175073 -0.00713618 56
16705 95 C 25.9436 25.6657 84.3101 0.00405746 0.000706614 0.00149561 56
16706 96 C 24.6077 26.0077 84.9662 -0.00180626 0.00153219 0.00391633 56
16707 97 C 24.5575 26.1855 86.5121 0.00245746 -0.00115032 -0.00126514 56
16708 98 C 25.0776 24.9923 87.3655 -0.000953428 -0.0025143 2.25004e-05 56
16709 99 C 24.8644 25.0309 88.9055 -0.00397366 0.00444927 -0.00248632 56
16710 100 C 24.988 26.3834 89.5775 0.00216692 -0.00126874 -0.000101162 56
16711 101 C 25.4256 26.4268 91.0471 0.000357979 -0.00396023 0.000397872 56
16712 102 C 24.5147 25.8715 92.1067 -0.00151686 -0.00170282 0.00542577 56
16713 103 C 25.2293 25.8305 93.4784 0.00113487 0.00211703 -0.00569811 56
16714 104 C 24.3465 25.3984 94.6695 0.000605499 3.591e-05 -0.00167027 56
16715 105 C 25.1451 25.0106 95.8948 -0.00636999 0.00284192 0.00380877 56
16716 106 C 30.864 28.888 82.9383 0.00451228 -0.00118664 0.00112149 56
16717 107 C 32.3109 29.3408 83.2734 -0.000991928 0.00164736 0.00816703 56
16718 108 C 32.4181 30.2421 84.504 -0.0024924 -0.00289617 0.00318919 56
16719 109 C 32.1816 29.5358 85.8349 -0.000192607 -0.00341345 -0.00132676 56
16720 110 C 32.2943 30.4392 87.0871 -0.00235922 0.00178065 0.000152527 56
16721 111 C 32.3707 29.6828 88.4321 -0.004177 0.00316884 -0.00451811 56
16722 112 C 32.2342 30.5666 89.6852 -0.00283817 -0.00354054 0.00285721 56
16723 113 C 32.5211 29.721 90.9367 0.00109012 0.00174545 -0.00281411 56
16724 114 C 32.4128 30.4881 92.2347 0.00197839 0.00251982 0.000656453 56
16725 115 C 32.7127 29.5934 93.4493 1.54938e-05 -0.000110072 0.00123704 56
16726 116 C 32.4656 30.3438 94.7187 0.000886568 -0.00253771 2.81245e-05 56
16727 117 C 32.8966 29.4964 95.9664 -0.000895062 -0.000936819 0.00432335 56
16728 118 C 32.4816 22.2006 82.7468 0.000585557 0.00137708 0.000120186 56
16729 119 C 32.396 22.0859 84.269 0.00222484 -0.00156606 -0.00149796 56
16730 120 C 32.9074 20.7096 84.6973 -0.00339082 0.00206395 -0.00163095 56
16731 121 C 33.5656 20.6114 86.0866 -0.00253631 0.00285477 -0.00277325 56
16732 122 C 32.806 21.3596 87.1747 -0.00226813 -0.00191498 0.000667906 56
16733 123 C 33.2829 20.9253 88.5684 3.66156e-05 0.00160504 0.00291452 56
16734 124 C 32.9238 21.9545 89.6738 0.00185448 -0.000174876 -0.00227468 56
16735 125 C 33.3939 21.5025 91.0808 0.00280772 -0.00336753 3.69563e-05 56
16736 126 C 32.4505 20.5956 91.8285 0.000793304 -4.37603e-05 -0.00229262 56
16737 127 C 32.9452 20.26 93.272 0.0014043 -0.0014614 0.00237826 56
16738 128 C 33.0802 21.5083 94.1436 0.00466981 -0.00246691 -0.00162778 56
16739 129 C 33.4651 21.1219 95.6312 0.00259678 0.00173684 -0.00330557 56
16740 130 F 28.4426 26.8554 73.6585 0.00149151 0.000216263 0.000166482 56
16741 131 H 31.8077 29.7081 80.5255 -0.00496384 0.00125374 -0.0011347 56
16742 132 H 31.911 29.5987 78.0867 -0.00642792 0.00466199 0.00255172 56
16743 133 H 31.0336 27.6911 76.8687 -0.0098807 -0.00151103 -1.2437e-05 56
16744 134 H 25.0528 25.5766 80.5074 0.00449617 0.0119027 -0.000781205 56
16745 135 H 25.1005 25.2608 78.127 0.00271882 0.0150689 0.0047503 56
16746 136 H 27.2357 25.1341 76.8643 -0.00117022 0.00760543 -0.00427592 56
16747 137 H 32.3391 21.2503 80.4365 0.000188109 0.00113436 0.00255634 56
16748 138 H 32.2388 21.2301 78.0541 0.0071196 0.00108337 -0.00414559 56
16749 139 H 31.1007 23.0396 76.8624 0.00178893 -0.00341536 0.00122372 56
16750 140 H 29.671 22.0154 72.1325 -0.0111176 -0.00271912 0.0059924 56
16751 141 H 30.4295 22.8663 74.2426 0.00642097 0.0131988 0.0102621 56
16752 142 H 25.4921 18.8484 68.3054 -0.00658909 0.00537389 -0.00216634 56
16753 143 H 25.3615 18.5407 65.8737 0.00734954 0.00251294 0.000544045 56
16754 144 H 26.6479 20.8196 69.2578 -0.00427571 0.000161159 0.0038487 56
16755 145 H 32.6759 22.867 67.2592 0.0056192 -0.00249024 -0.00226532 56
16756 146 H 32.4058 22.7603 64.6264 -0.00304023 7.22549e-05 -0.00239413 56
16757 147 H 30.6795 22.8307 68.6256 0.0148363 -0.00830482 -0.000754494 56
16758 148 H 25.6681 27.0586 67.3652 0.0105095 -0.0052072 0.0100981 56
16759 149 H 25.5724 26.8682 64.914 0.000645106 -0.0013678 -0.00627014 56
16760 150 H 27.6299 22.4007 64.0208 -0.00617423 0.0126053 -0.000514073 56
16761 151 H 26.7146 25.2867 68.7028 0.0125725 0.00194198 0.000206586 56
16762 152 H 29.6698 25.2746 81.8065 0.00919034 -0.00231862 -0.0031901 56
16763 153 H 31.5751 22.2869 62.1652 -0.00475686 0.0112304 -0.000961075 56
16764 154 H 30.4561 20.8882 62.7148 0.00717489 0.004578 0.0148015 56
16765 155 H 29.3304 23.2201 61.273 -0.00414122 0.00249429 0.00166834 56
16766 156 H 28.7 21.5718 61.4995 0.00352371 0.00604503 0.00955926 56
16767 157 H 30.4004 20.6749 60.0586 -0.00759207 -0.00318035 -0.0054765 56
16768 158 H 31.2073 22.2478 59.8342 -0.00179205 0.00721193 0.000476234 56
16769 159 H 29.1805 23.1854 58.7623 0.017223 0.000832875 -0.00617067 56
16770 160 H 28.3085 21.6526 59.0749 -0.00544262 0.00684276 -0.0011968 56
16771 161 H 29.9402 20.5072 57.6261 -0.00383102 -0.000927079 -0.00463293 56
16772 162 H 30.7838 22.0444 57.2455 0.00268918 -0.00690765 -0.00774365 56
16773 163 H 28.5557 22.9701 56.475 0.00760907 0.0020962 -0.00744177 56
16774 164 H 27.7589 21.436 56.8275 -0.00898104 0.0172114 0.000968507 56
16775 165 H 29.3086 20.2844 55.2004 0.00456766 -0.00112918 0.00268955 56
16776 166 H 30.0612 21.8746 54.7878 -0.003972 0.0145377 0.00597831 56
16777 167 H 27.5394 22.5115 54.1317 0.0108844 0.00922876 0.000725615 56
16778 168 H 27.3768 20.7908 53.9715 0.00292142 -0.00475484 -0.0104528 56
16779 169 H 29.3788 20.6494 52.5839 0.00885537 0.0072385 0.00106273 56
16780 170 H 29.5997 22.3745 52.6783 -0.0103935 0.00927525 -0.00440556 56
16781 171 H 27.3492 22.6987 51.5942 0.00900057 0.00593582 0.014657 56
16782 172 H 27.1963 20.9735 51.4503 -0.00545136 0.00421654 -0.00222896 56
16783 173 H 29.3204 21.0057 49.9773 -0.00740748 -0.00848908 0.0090735 56
16784 174 H 29.4264 22.7509 50.1122 0.00225783 -0.00687283 0.0107194 56
16785 175 H 27.2418 23.1448 49.1558 -0.0110978 -0.00845743 0.00729064 56
16786 176 H 26.9455 21.4218 49.0224 -0.000411631 0.00449231 -0.017627 56
16787 177 H 28.2119 22.1222 48.0154 -0.00521529 0.00831806 -0.00478012 56
16788 178 H 25.344 19.1479 62.7438 -0.0060587 -0.00257316 0.0136243 56
16789 179 H 24.4825 20.3327 63.7907 0.00606406 -0.0129544 0.0138827 56
16790 180 H 24.5579 21.6813 61.9782 -0.00120991 -0.00319428 -0.00300451 56
16791 181 H 26.1823 22.0079 62.4799 0.0116022 -0.011697 -0.00533532 56
16792 182 H 26.1483 21.6129 60.0928 0.000225456 0.00643324 0.00422661 56
16793 183 H 27.0069 20.2325 60.8512 0.0103033 0.0243078 0.00302613 56
16794 184 H 25.1152 18.7766 60.4954 -0.00215905 -0.000998767 -0.00349256 56
16795 185 H 23.9946 20.0953 60.1783 0.00168653 0.00655841 0.00746488 56
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16859 249 H 23.7363 24.5413 94.3589 -0.00851697 0.0055494 0.00100834 56
16860 250 H 24.4698 24.5394 96.6195 0.000673149 0.00675824 0.0129089 56
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16866 256 H 32.6771 29.9151 82.4134 -0.00519632 -0.0138973 -0.00400105 56
16867 257 H 33.3611 30.8026 84.5 -0.00269394 -0.00253839 0.005862 56
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16876 266 H 31.2243 30.9897 89.7522 0.000640054 0.00221035 0.0191105 56
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16880 270 H 31.4279 30.9532 92.3653 -0.00646124 -0.0133854 -0.00645765 56
16881 271 H 32.0638 28.7092 93.4299 0.00954755 -0.00694772 -0.00655712 56
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16895 285 H 33.7228 19.554 86.3327 0.0131845 0.00735404 0.00665123 56
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16898 288 H 34.3749 20.82 88.5673 8.36634e-05 0.00211583 0.00135329 56
16899 289 H 32.8264 19.9488 88.7725 0.00447203 0.000329592 0.00668891 56
16900 290 H 31.8378 22.1039 89.7144 0.00226738 0.00618993 -0.0152547 56
16901 291 H 33.4307 22.8915 89.4122 0.0051418 0.0012839 0.00932525 56
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16903 293 H 34.3195 20.9436 90.8954 0.000543887 -0.00732837 0.000652846 56
16904 294 H 32.3473 19.6974 91.2072 0.0153409 -0.00568353 0.00343604 56
16905 295 H 31.5056 21.1503 91.8824 0.0023485 0.00087904 0.0154732 56
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16910 300 H 32.8945 20.2266 95.9077 -0.00449411 0.00306106 -0.0135518 56
16911 301 H 33.1484 21.9287 96.3036 -0.0111792 -0.0093366 0.00349113 56
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16914 2 C 35.848 21.7163 78.158 -0.00370806 -0.00263413 -0.000712849 57
16915 3 C 35.2296 20.5975 77.632 0.00404873 0.00113266 0.00125318 57
16916 4 C 34.5601 19.6782 78.4841 0.00207902 -0.00554101 0.00249782 57
16917 5 C 34.5391 19.8396 79.8899 0.00622346 -0.00252326 -0.00161289 57
16918 6 C 35.1898 20.9684 80.4214 -5.75052e-05 0.00251321 -0.00143089 57
16919 7 C 30.0709 18.8068 79.9635 0.000515221 -0.00180121 0.000803041 57
16920 8 C 30.0276 18.572 78.5885 0.00090121 -0.000263371 -0.00171425 57
16921 9 C 31.23 18.4819 77.9024 -0.00122901 -0.00408508 0.00299213 57
16922 10 C 32.4534 18.5309 78.5928 0.00259355 0.00301233 -0.00188639 57
16923 11 C 32.4579 18.6095 80.0149 0.000790881 0.000289274 0.00422574 57
16924 12 C 31.2604 18.824 80.6906 -0.00466699 -0.000947219 0.00270307 57
16925 13 C 35.8059 15.2601 80.0725 -0.000820754 -0.00285099 -0.000987904 57
16926 14 C 35.8487 15.2443 78.673 0.000369584 0.00429912 0.00376007 57
16927 15 C 35.2775 16.3148 78.0119 0.000836432 0.00146298 -0.00077575 57
16928 16 C 34.5751 17.3174 78.6576 0.000166272 0.000536933 -0.00506616 57
16929 17 C 33.8269 18.4619 77.9658 0.00135617 0.000974878 0.00350064 57
16930 18 O 35.1446 16.2214 82.1941 -0.00205969 0.000654542 0.000739107 57
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16932 20 O 35.2425 21.2052 81.795 0.000344734 -0.00198366 0.00418863 57
16933 21 C 35.1927 16.318 80.8079 0.00848298 0.00122809 -0.00401426 57
16934 22 C 33.6767 18.3625 76.503 0.00505717 -0.00324636 -0.000857001 57
16935 23 C 33.4087 18.147 75.3488 0.000115702 0.00327652 0.00526203 57
16936 24 C 33.0643 17.8648 73.9934 0.000337303 0.000927927 0.00500239 57
16937 25 C 31.7621 18.0496 73.4994 -0.00134179 -0.000714033 -0.00195484 57
16938 26 C 31.4458 17.7047 72.192 0.00022664 -0.000408077 -6.30894e-05 57
16939 27 C 32.4599 17.15 71.3434 0.00493291 -0.00194057 0.0010773 57
16940 28 C 33.7647 16.9122 71.8106 -3.68136e-05 -0.000993823 -0.00687216 57
16941 29 C 34.0653 17.2592 73.1448 0.00137113 0.00253918 -7.47929e-05 57
16942 30 C 32.1774 16.8107 69.9644 0.00271045 -0.000198544 -0.000862285 57
16943 31 C 31.937 16.4626 68.8415 0.000629996 -0.000741776 -0.000625274 57
16944 32 C 30.2794 12.6688 67.3835 -0.00252491 0.00110698 -0.00135588 57
16945 33 C 30.3514 12.3911 65.9886 -0.0017676 -0.00264335 -0.00377616 57
16946 34 C 30.8133 13.3815 65.0998 -0.0024143 -0.00112016 -0.00205754 57
16947 35 C 31.1801 14.6269 65.626 0.001946 0.00208139 -0.00302026 57
16948 36 C 31.201 14.827 67.0067 0.00104975 -0.00726318 -0.00182151 57
16949 37 C 30.821 13.8302 67.9029 -0.00159353 -0.00456347 0.00687131 57
16950 38 C 31.8105 16.1694 67.4189 -0.00277656 -0.00134616 0.00186007 57
16951 39 C 35.588 15.8974 66.5007 -0.00052553 0.0063308 0.00322121 57
16952 40 C 35.5073 15.8643 65.1032 -0.000847491 0.00664349 -0.00178915 57
16953 41 C 34.2378 15.9931 64.5012 -0.00358116 -0.000130475 6.22489e-05 57
16954 42 C 33.1128 16.1028 65.3019 0.0049556 0.00389482 0.000338186 57
16955 43 C 33.1838 16.2033 66.7067 -0.00136514 -0.00245178 -0.00105683 57
16956 44 C 34.4532 16.1127 67.3141 -0.00319465 0.000661975 -0.00158482 57
16957 45 C 29.7357 19.2726 66.4836 -0.00161606 0.00125635 0.00608782 57
16958 46 C 29.625 19.0806 65.0967 0.00228519 -0.00166347 1.50648e-06 57
16959 47 C 30.173 17.9254 64.5097 -0.00445974 -0.000754954 -0.00334456 57
16960 48 C 30.9177 17.0369 65.308 -0.00105338 0.00143259 -0.00607059 57
16961 49 C 31.6656 15.8373 64.8027 -0.00141468 0.00066661 0.00210488 57
16962 50 C 31.0005 17.241 66.6964 -0.00277731 0.00317696 0.00603262 57
16963 51 C 30.4097 18.3582 67.2995 -7.12744e-05 -0.000538072 -0.00158358 57
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16967 55 C 33.8782 18.6587 80.6125 -0.00134721 1.9691e-05 -0.00446588 57
16968 56 C 34.5707 17.3856 80.0831 -0.000399877 0.000191498 -0.00274355 57
16969 57 C 33.7955 14.9507 62.3183 0.00162173 -0.00561653 -0.0020629 57
16970 58 C 32.6579 15.3052 61.2877 -0.000950678 -0.00408281 0.00191296 57
16971 59 C 33.0373 14.9133 59.8468 -0.00269305 -0.000146474 -0.00473452 57
16972 60 C 31.9159 15.118 58.798 0.00155001 -0.00222991 -0.00221508 57
16973 61 C 32.4726 14.9179 57.3675 -0.000714011 0.000814028 0.00421708 57
16974 62 C 31.3219 14.9313 56.3581 -0.00172655 -0.00382705 0.00461254 57
16975 63 C 31.6045 15.6432 54.9876 -0.00457665 0.00149018 0.0071947 57
16976 64 C 32.9111 15.2886 54.2928 -0.000912453 -0.000934188 0.00244483 57
16977 65 C 32.8648 15.7435 52.8108 -0.000230968 -0.00290128 0.00131477 57
16978 66 C 32.233 14.6127 51.9513 0.00167406 0.00194559 0.00198106 57
16979 67 C 32.0073 14.9744 50.5005 0.00143978 0.00129468 -0.0019715 57
16980 68 C 30.9452 16.0813 50.3063 0.00133639 0.00325449 0.00226525 57
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16982 70 C 31.4247 11.8148 63.2925 -0.00119275 -0.000255058 -0.0010129 57
16983 71 C 31.9184 11.9174 61.81 0.00199482 0.00214723 0.00277414 57
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16985 73 C 32.4812 10.5545 59.6328 0.00331965 0.00108198 -0.000528077 57
16986 74 C 31.3715 11.1246 58.7168 -0.00138606 0.000594448 -0.00139188 57
16987 75 C 31.4261 10.6681 57.2472 0.00160789 -0.0043091 0.00186321 57
16988 76 C 32.7408 11.0294 56.5381 -0.000274197 0.000974097 0.0030945 57
16989 77 C 32.5575 11.4819 55.0498 0.00228408 0.00227383 -0.00227469 57
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16995 83 C 29.3368 17.5207 60.947 0.000933748 -0.00157566 0.000210111 57
16996 84 C 28.5488 18.0514 59.7434 0.0026852 0.00026236 -0.00119466 57
16997 85 C 29.2376 17.5907 58.4687 -0.00542665 0.00546083 -0.000251025 57
16998 86 C 28.6576 18.1318 57.1475 0.00718378 0.000289122 0.00325068 57
16999 87 C 27.5305 17.2769 56.4939 0.00063023 0.00295451 -0.00303509 57
17000 88 C 27.2534 17.6034 54.9844 0.00168285 -0.00496781 0.000574735 57
17001 89 C 28.3231 17.1115 54.0153 0.00180386 0.00123438 -0.000904225 57
17002 90 C 28.2028 17.7395 52.5903 5.83941e-05 0.000657715 0.000133526 57
17003 91 C 27.063 17.2199 51.7131 0.00527149 0.00271683 -0.0033241 57
17004 92 C 27.2923 17.8315 50.3089 0.00246136 -0.00265694 -0.00389848 57
17005 93 C 26.2293 17.5732 49.1975 -0.00450144 0.000993909 -0.00155215 57
17006 94 C 30.1759 19.83 82.7679 -0.00100676 -0.00271165 0.00219471 57
17007 95 C 29.0689 18.8362 83.1962 -0.00377976 -0.00140423 -0.00168388 57
17008 96 C 28.3877 19.0867 84.5813 -0.00357019 -0.00233917 -0.000682497 57
17009 97 C 29.4293 19.0872 85.7383 -0.00157308 0.000658351 0.000633199 57
17010 98 C 28.8874 19.0987 87.2012 -0.00168281 0.00402757 -0.000680025 57
17011 99 C 30.0819 18.7302 88.1159 -0.000600919 0.00592676 -0.000576115 57
17012 100 C 30.0766 19.0753 89.6141 0.00156072 0.000644558 0.00264132 57
17013 101 C 28.7665 18.9047 90.3388 -0.00164231 -0.00145642 -0.00132283 57
17014 102 C 28.9943 19.2522 91.8308 -0.00177198 -0.000778499 -0.00014285 57
17015 103 C 28.0241 18.5152 92.788 -0.00271695 -0.00164804 -0.00324849 57
17016 104 C 28.1823 18.8269 94.3137 0.00534826 -0.000302285 0.000129475 57
17017 105 C 29.6063 18.7805 94.8369 -0.00198368 -0.00136101 -0.0021361 57
17018 106 C 35.9484 22.4054 82.2579 0.00160748 0.000831643 0.00184099 57
17019 107 C 35.9949 22.5729 83.8191 0.00432903 0.000842174 0.00185938 57
17020 108 C 36.698 23.8608 84.2446 0.00222545 0.000269654 -0.00169647 57
17021 109 C 37.2675 23.9472 85.6725 0.00227674 -0.00107564 -0.00638687 57
17022 110 C 36.3533 23.615 86.8753 -0.00119293 0.00412378 -0.00174502 57
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17519 3 C 42.9767 20.6079 77.6975 -0.00503739 -0.00255271 -0.00261841 59
17520 4 C 42.3544 19.6586 78.5082 0.00166085 -0.0054607 -0.000840074 59
17521 5 C 42.4095 19.8014 79.9458 0.00177934 0.000681739 -0.0028841 59
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17545 29 C 41.6078 16.5386 73.4551 0.00198525 0.0026818 0.00546314 59
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17547 31 C 39.6623 16.3081 68.9644 0.00294447 -0.00302982 0.0022468 59
17548 32 C 37.9225 12.5173 67.2068 -0.00249503 -0.00278773 0.00273583 59
17549 33 C 37.9661 12.3956 65.7986 -0.00171727 -0.00191004 -0.00189375 59
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19028 2 C 16.1786 42.4041 78.6732 -0.00415475 -5.1924e-05 0.00183296 64
19029 3 C 15.6688 41.2589 78.0152 -0.00368228 0.000998222 -0.0036244 64
19030 4 C 15.0631 40.2193 78.7839 -0.00358477 0.0021629 -0.00107087 64
19031 5 C 14.9614 40.3466 80.2134 -0.000954029 0.002011 0.00337683 64
19032 6 C 15.508 41.4811 80.8743 -0.00355182 -0.00125388 -0.00479834 64
19033 7 C 10.4875 39.0343 80.0147 0.00246311 -0.0013695 -0.00406723 64
19034 8 C 10.5795 38.9745 78.6339 -0.000564725 -0.000849942 0.000207929 64
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19039 13 C 16.3528 35.8274 80.3904 -0.00156491 -0.00362771 -0.00286895 64
19040 14 C 16.4066 35.7892 78.9832 0.00010567 0.000213263 0.00437957 64
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19049 23 C 14.4657 38.6381 75.5658 0.00385336 0.000382858 -8.39178e-05 64
19050 24 C 14.311 38.2598 74.2293 -0.000644468 0.000535067 -0.000418141 64
19051 25 C 13.997 39.2117 73.2302 0.00129286 0.00535065 0.00083181 64
19052 26 C 13.5909 38.7471 71.9683 0.000918104 -0.000788561 -0.00556029 64
19053 27 C 13.5269 37.3605 71.6871 -0.00048891 -0.00218186 0.00164411 64
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19055 29 C 14.3232 36.8875 73.9373 -0.00301863 0.00344944 0.00323415 64
19056 30 C 13.1386 36.9059 70.3719 0.00489785 0.000222596 0.00100061 64
19057 31 C 12.7586 36.5343 69.2669 -0.00211196 0.000653114 0.00281021 64
19058 32 C 10.491 32.9144 67.9734 0.00194655 0.00656085 -0.0023986 64
19059 33 C 10.1827 32.8223 66.6036 -0.00512082 0.00282147 0.000660489 64
19060 34 C 10.5389 33.7769 65.6835 0.000963957 -0.00045806 0.00184004 64
19061 35 C 11.259 34.9372 66.1212 -0.00248498 -0.00248824 0.00127279 64
19062 36 C 11.5478 35.0662 67.4942 0.00256824 0.00205995 -0.000549042 64
19063 37 C 11.156 34.0768 68.406 0.00143039 -0.00536865 0.00621565 64
19064 38 C 12.3842 36.2908 67.8517 -0.00447499 0.000460997 -0.0019784 64
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19521 193 H 14.9116 23.6055 54.8784 -0.00176132 0.0035253 -0.00385059 65
19522 194 H 15.3002 25.5473 53.5479 0.0084086 0.00499092 0.0115795 65
19523 195 H 17.0793 25.3654 53.773 0.00437088 -0.00077891 -0.0217208 65
19524 196 H 16.9744 23.2853 52.4846 -0.00166466 -0.00103134 -0.0141592 65
19525 197 H 15.1977 23.4389 52.1477 -0.00478045 0.000316795 0.00976995 65
19526 198 H 15.472 25.4516 50.9205 -0.00230779 0.00355185 -0.00378806 65
19527 199 H 17.1931 25.5132 51.1959 -0.00190732 -0.00438845 0.0132848 65
19528 200 H 16.6179 24.6947 48.951 0.00833195 0.000237442 0.0024393 65
19529 201 H 17.647 23.5784 49.8618 0.00113036 0.00273156 0.00950235 65
19530 202 H 15.9351 23.1906 49.667 -0.00375699 0.00136895 0.0109827 65
19531 203 H 12.6532 30.9504 63.7957 0.0123535 -0.00521517 0.00594155 65
19532 204 H 12.8442 32.3072 62.7409 -0.00121198 0.00248153 0.00702016 65
19533 205 H 14.029 29.5876 61.8292 0.00788214 0.00443582 0.0028039 65
19534 206 H 12.2941 29.7844 61.8234 -0.00139772 -7.40423e-05 -0.00861039 65
19535 207 H 12.6897 31.9989 60.5234 0.00644661 0.00254625 -0.0127846 65
19536 208 H 14.3934 31.563 60.4568 -0.000972516 0.00849275 -0.00449291 65
19537 209 H 13.9034 29.6253 59.1116 0.0154013 0.013244 -0.00724827 65
19538 210 H 12.2221 29.6256 59.4634 -4.15112e-06 -0.00402084 -0.0157043 65
19539 211 H 11.8504 31.7332 58.2101 -7.04743e-05 0.000213677 0.00262439 65
19540 212 H 13.6188 31.9596 57.994 0.00149225 -0.000682351 -0.00511124 65
19541 213 H 13.6499 29.7557 56.7394 -0.00729251 -0.016691 -0.00303375 65
19542 214 H 11.9245 29.6098 56.8533 0.00170935 -0.00152205 -0.0102036 65
19543 215 H 11.7485 31.8261 55.6851 -0.00384491 -0.00244814 0.0063603 65
19544 216 H 13.4885 31.8512 55.39 0.00332247 -0.00518338 -0.0103423 65
19545 217 H 13.3852 29.6932 54.188 0.000279382 0.000201958 -0.006958 65
19546 218 H 11.6454 29.6794 54.2626 -0.00356358 0.00348131 0.00711209 65
19547 219 H 11.4773 31.9143 53.1427 -0.00717293 -0.0148397 -0.0092 65
19548 220 H 13.2703 32.0279 53.0486 -0.00846035 0.00745916 -0.0107231 65
19549 221 H 13.3212 29.9217 51.7212 0.00676659 0.00509474 0.00173995 65
19550 222 H 11.5509 29.8724 51.659 -0.000718358 -0.00915807 -0.00183063 65
19551 223 H 11.4247 32.0395 50.5802 0.000769661 0.00832761 -0.00986183 65
19552 224 H 13.1454 32.2878 50.6957 -0.000944669 -0.00855222 -0.00501572 65
19553 225 H 13.6861 30.5062 49.1871 -0.00124758 0.00525133 0.00343529 65
19554 226 H 11.851 30.0896 49.0839 0.00791101 -0.00882244 -0.00315783 65
19555 227 H 12.5073 31.5425 48.39 -0.00229128 -0.0104579 -0.00609398 65
19556 228 H 14.1855 34.2465 82.2456 0.00152895 -0.00463821 0.00873859 65
19557 229 H 13.3859 32.5992 81.9778 -0.00388818 0.00888834 0.00897745 65
19558 230 H 14.562 31.7722 83.9864 0.0106144 0.00261767 -0.000339203 65
19559 231 H 14.8343 33.4095 84.4815 -0.00303841 8.14723e-05 -0.00489963 65
19560 232 H 12.2257 33.7459 84.4104 -0.015435 -0.00870679 -0.00540873 65
19561 233 H 12.1427 32.0739 83.8036 -0.000969744 -0.00398347 0.0057447 65
19562 234 H 11.6018 32.1957 86.1228 0.000107265 -0.00900383 0.00201937 65
19563 235 H 13.0482 31.2181 85.9967 -0.00350279 -0.00282791 -0.00324249 65
19564 236 H 14.4121 33.1018 86.7382 -0.00199195 -0.0066203 0.00439301 65
19565 237 H 12.9594 34.1759 86.797 0.00440402 0.00113497 0.00566582 65
19566 238 H 11.936 32.8847 88.4778 0.00810282 0.00982529 0.0210087 65
19567 239 H 13.115 31.5552 88.3831 0.0166772 0.000464101 0.00913713 65
19568 240 H 14.8099 32.9768 89.2601 0.000533952 0.000296385 -0.00314555 65
19569 241 H 13.7364 34.3348 89.4265 -0.000740487 -0.0033301 0.000607218 65
19570 242 H 12.2968 33.0784 90.9705 0.00250282 0.00759603 0.00378273 65
19571 243 H 13.2899 31.5805 90.7572 0.00678758 0.00384779 0.00731083 65
19572 244 H 15.2445 32.9327 91.771 0.00114816 -0.00434345 0.0178945 65
19573 245 H 13.9758 34.1514 92.162 -0.0121411 -0.00131362 0.00479619 65
19574 246 H 12.6913 32.5452 93.3363 0.000547565 0.00162953 -0.00512403 65
19575 247 H 13.9732 31.3209 93.1727 0.0106413 -0.00346511 0.00760063 65
19576 248 H 15.5673 32.8802 94.3111 -0.000740439 -0.000740158 -0.00871888 65
19577 249 H 14.3097 34.0505 94.5215 -0.0133704 -0.00373002 0.013286 65
19578 250 H 14.398 31.2482 95.8143 -0.000247863 0.000178512 0.0117632 65
19579 251 H 14.5918 32.777 96.6231 -0.0217087 0.00407109 0.00246187 65
19580 252 H 13.0467 32.3823 95.9417 -0.00265878 -0.0136991 0.00311109 65
19581 253 H 20.91 36.5644 81.5922 0.00392455 0.00589257 0.0111473 65
19582 254 H 19.1457 36.7039 81.9509 -0.00195065 -0.0069744 0.00988863 65
19583 255 H 19.3512 36.0627 84.1145 -0.00803634 -0.00670204 -0.00702418 65
19584 256 H 20.9103 35.238 83.8839 0.00258514 0.000940764 -0.00442374 65
19585 257 H 22.1601 37.2455 83.8837 -0.00157006 0.00340879 -0.00871014 65
19586 258 H 20.8228 38.1644 83.2956 -0.00873133 0.00722281 0.0143547 65
19587 259 H 20.9944 38.8272 85.5523 0.0107005 -0.00113753 0.00799713 65
19588 260 H 19.6834 37.6752 85.4899 0.00164429 0.00617107 0.0226458 65
19589 261 H 20.9669 35.8588 86.4793 0.00687626 -0.000854472 0.0101647 65
19590 262 H 22.4093 36.8604 86.527 -0.000221736 -0.00231127 -0.00552777 65
19591 263 H 21.2103 38.6555 87.8909 -0.000115647 -0.00337865 -0.00263126 65
19592 264 H 19.7748 37.6101 87.9106 -0.00241937 0.00191797 -0.000718473 65
19593 265 H 21.0464 35.9036 89.1568 -0.00167435 0.00201318 0.00204275 65
19594 266 H 22.5346 36.932 89.0764 -0.00218621 -0.00818703 0.00976962 65
19595 267 H 21.3968 38.6332 90.4866 -0.00218745 -0.00231813 -0.00322154 65
19596 268 H 19.8872 37.7507 90.445 0.00111525 0.0159235 -0.000773989 65
19597 269 H 20.9145 35.8779 91.6593 -0.00471184 -0.000929608 -0.000636495 65
19598 270 H 22.4849 36.6056 91.6393 0.00117892 0.0145193 -0.00394011 65
19599 271 H 21.4456 38.6643 92.9799 0.00362032 -0.00157441 -0.00707343 65
19600 272 H 19.937 37.7161 92.9999 -0.000600232 0.00145817 0.0189163 65
19601 273 H 21.0974 35.8265 94.2237 0.0071143 -0.000727689 -0.00290627 65
19602 274 H 22.5301 36.7624 94.2329 0.000122329 -0.0024388 -0.0108069 65
19603 275 H 21.3305 38.4747 95.6374 0.00167978 0.00150682 0.00529694 65
19604 276 H 19.7845 37.7015 95.3605 0.00128095 0.00264634 0.00606897 65
19605 277 H 21.0811 36.8712 96.3125 -0.0116054 0.00354725 0.00423555 65
19606 278 H 19.4865 28.3736 83.1012 -0.000369371 0.00138985 0.0025772 65
19607 279 H 21.1826 28.653 82.9114 -0.00811722 -0.022164 -0.000269796 65
19608 280 H 19.3689 29.6115 85.2552 0.00190898 -0.00176659 0.00544876 65
19609 281 H 21.0014 30.128 85.0389 -0.000168956 -0.00294239 0.0116314 65
19610 282 H 21.7202 27.5703 85.1879 -0.00177568 -0.0104029 0.00152105 65
19611 283 H 20.0396 27.1848 85.2468 0.00148057 0.00258481 -0.00737511 65
19612 284 H 21.5539 28.7592 87.412 -0.0060735 0.00350923 -0.00153286 65
19613 285 H 21.1282 27.09 87.5114 0.00734977 0.00502338 -0.00310167 65
19614 286 H 18.6714 27.9265 87.1661 0.0057091 0.000478825 0.000524678 65
19615 287 H 19.3891 29.53 87.6538 -0.00482644 -0.000241014 -0.000129203 65
19616 288 H 19.5355 26.8707 89.2264 0.0202283 -0.00104503 0.00966547 65
19617 289 H 18.284 28.1047 89.498 0.00281196 0.00381049 0.00851482 65
19618 290 H 20.1384 29.5888 90.3018 -0.0112484 -0.00269497 -0.00690101 65
19619 291 H 21.297 28.219 90.0304 -0.00543292 -0.00679759 -0.000191609 65
19620 292 H 19.9954 26.8201 91.5194 0.00646505 -0.000493227 -0.000859613 65
19621 293 H 18.8397 28.104 91.768 -0.00282992 -0.0112607 -0.0018464 65
19622 294 H 20.6139 29.4772 92.9005 0.0155808 -0.00133787 -0.0125098 65
19623 295 H 21.8338 28.2083 92.589 -0.00160368 -0.000781199 -0.0123548 65
19624 296 H 20.4339 26.5721 93.9333 0.00232958 0.00105099 -0.00611657 65
19625 297 H 19.3527 27.8327 94.4096 -0.0099823 -0.0093687 -0.0145543 65
19626 298 H 21.1069 29.1547 95.4964 0.00590866 -0.000397748 -0.00113593 65
19627 299 H 22.3213 28.0892 94.9632 -0.00171265 -0.00187058 0.00166413 65
19628 300 H 21.0809 26.195 96.2616 0.00673421 0.00110815 -0.000125677 65
19629 301 H 20.0388 27.4511 96.9769 0.000596025 0.00356048 0.00189484 65
19630 302 H 21.7823 27.4478 97.3042 0.000412196 -0.00832632 0.00106705 65
19631 1 C 23.9455 42.2833 79.0393 -0.00063651 -0.00290576 -0.00118293 66
19632 2 C 24.0216 42.0894 77.6559 0.00210984 0.00228151 0.00214414 66
19633 3 C 23.5252 40.9353 77.0903 0.00143191 -0.00195425 -0.0031231 66
19634 4 C 22.9092 39.9842 77.9193 0.00151925 0.00575801 -0.000149948 66
19635 5 C 22.7734 40.1626 79.2998 -0.000446427 -0.00356475 0.00639396 66
19636 6 C 23.3367 41.3017 79.8606 -0.00351266 0.00431048 -0.000891986 66
19637 7 C 18.3075 39.3058 79.2047 -0.000598802 -0.00222826 -0.000904507 66
19638 8 C 18.4009 39.1756 77.8295 0.00384803 -0.00222919 -0.00178056 66
19639 9 C 19.603 38.9443 77.1817 -0.000336995 0.00145188 -0.0012594 66
19640 10 C 20.7578 38.8794 77.9776 -2.81067e-05 0.00125614 -0.000495878 66
19641 11 C 20.6757 39.011 79.3854 0.00251067 0.00328813 -0.000557166 66
19642 12 C 19.4429 39.2066 80.0471 0.000705271 -0.00396806 0.00528829 66
19643 13 C 24.1064 35.5916 79.794 0.00145369 -0.000528664 0.000767609 66
19644 14 C 24.1693 35.4923 78.4233 -0.00399942 -0.00299401 -0.0068242 66
19645 15 C 23.5374 36.4622 77.6448 -0.000582313 0.000832422 0.00280669 66
19646 16 C 22.8387 37.5537 78.2338 -0.00317562 0.00149258 -0.00331731 66
19647 17 C 22.2076 38.7125 77.4407 0.00296166 -0.00135106 -0.00272672 66
19648 18 O 23.4169 36.6326 81.8403 -0.00245204 0.00209708 3.89194e-05 66
19649 19 O 19.3462 39.2838 81.4448 0.00177751 -0.00256918 0.00430235 66
19650 20 O 23.311 41.4567 81.2258 0.000625048 -0.000812785 0.00162647 66
19651 21 C 23.4094 36.6303 80.4299 0.0051217 0.00417833 -0.00226319 66
19652 22 C 22.2224 38.546 75.9828 0.00106611 -0.00372222 -0.000408229 66
19653 23 C 22.0404 38.2957 74.8206 0.00198112 0.00302919 -0.00268219 66
19654 24 C 21.6649 37.8651 73.5163 0.00296916 -0.00468784 -0.000176858 66
19655 25 C 20.646 38.5256 72.8161 -0.000803611 -0.00556115 0.00140634 66
19656 26 C 20.2777 38.0752 71.561 0.000784208 0.000374129 0.00489834 66
19657 27 C 20.9311 36.9803 71.0144 -0.00118434 0.00400826 -0.000522707 66
19658 28 C 22.0021 36.4052 71.6608 0.00342708 -0.00178818 0.00257585 66
19659 29 C 22.3551 36.8416 72.934 -0.000800909 -0.00358396 -0.00362258 66
19660 30 C 20.6114 36.5013 69.7038 -0.00359355 0.00101253 0.00298578 66
19661 31 C 20.3674 36.2774 68.5379 -0.00499678 0.00639843 -0.00074791 66
19662 32 C 18.0721 32.973 66.8001 -0.00343458 0.000600085 -6.83863e-05 66
19663 33 C 18.1329 32.8042 65.3919 -0.00215925 0.00150989 -0.000614385 66
19664 34 C 18.8089 33.7346 64.5991 0.00646808 0.000291771 -0.00221714 66
19665 35 C 19.3439 34.851 65.2035 -0.00154556 -0.0023713 0.00251197 66
19666 36 C 19.4039 34.9703 66.6068 -0.00149672 -0.00444173 0.00629827 66
19667 37 C 18.7705 34.0187 67.4178 -0.00271054 -0.000196888 -0.00305188 66
19668 38 C 20.2148 36.1529 67.0928 0.000807399 0.00232823 -0.00482953 66
19669 39 C 24.0295 36.3729 66.0973 -0.00127923 -0.000473018 -0.00125009 66
19670 40 C 23.8653 36.1804 64.6952 0.000303519 -0.000160864 0.00489436 66
19671 41 C 22.6199 35.9386 64.1607 0.00278064 0.00645897 -0.000656256 66
19672 42 C 21.4762 35.9642 64.9684 -0.00421806 -0.00185756 -0.00282819 66
19673 43 C 21.5609 36.0813 66.3539 -0.00121364 -0.000193323 0.00157169 66
19674 44 C 22.8737 36.2799 66.9234 -0.00545767 0.00346962 0.00352995 66
19675 45 C 18.4468 39.5013 66.5466 0.00202584 0.000322363 -0.00191675 66
19676 46 C 18.4287 39.4864 65.1402 -0.00283627 -0.000810008 0.000358976 66
19677 47 C 18.8781 38.3856 64.4028 0.00108113 -0.00111678 -0.00266395 66
19678 48 C 19.4212 37.2827 65.0855 -0.000152861 -0.00221471 -0.00411934 66
19679 49 C 20.0114 36.0183 64.4719 0.000919465 0.00110343 -0.00240119 66
19680 50 C 19.4965 37.3109 66.4796 0.00151396 -0.00112597 -2.23719e-05 66
19681 51 C 18.9276 38.3723 67.2147 -0.00209938 -0.000460863 0.00280384 66
19682 52 O 22.4679 35.6864 62.8071 0.00389543 0.000198283 -0.00145058 66
19683 53 O 18.8646 33.5192 63.2456 -0.00182389 0.0016359 0.00503325 66
19684 54 O 18.8764 38.4814 63.0014 0.00148796 -0.00140599 0.0022054 66
19685 55 C 22.0616 38.9978 80.0553 -0.00120068 -0.000574332 -0.00457747 66
19686 56 C 22.7621 37.6753 79.6429 0.00216272 0.00359491 -0.00216707 66
19687 57 C 22.1791 34.3131 62.5051 -0.000365844 3.41607e-05 0.00295829 66
19688 58 C 21.4608 34.1431 61.179 -0.00159962 -0.00118981 0.000641407 66
19689 59 C 21.1024 35.3756 60.3558 0.00267085 0.000813043 -0.000723574 66
19690 60 C 20.9026 34.9754 58.8983 -0.00202479 0.000624148 -0.000916628 66
19691 61 C 20.4374 36.1472 58.0291 -0.0012476 -0.000214239 -0.00273672 66
19692 62 C 20.0931 35.7306 56.5605 -0.000464069 -0.000858139 -0.00345517 66
19693 63 C 21.1589 34.8492 55.8453 0.00197078 -0.00216398 0.000450625 66
19694 64 C 20.8078 34.6138 54.3542 0.00241866 -0.00424859 0.0019057 66
19695 65 C 21.0517 35.9083 53.5372 0.00396604 -0.00190693 -0.00255877 66
19696 66 C 21.0599 35.671 52.0011 -0.00077248 0.00163284 -0.00497974 66
19697 67 C 19.7139 35.2097 51.4417 0.00127203 0.00192441 -0.000388703 66
19698 68 C 19.63 35.4653 49.9703 -9.09001e-05 -0.00159193 -0.000445594 66
19699 69 F 19.2513 38.6476 70.9416 -0.000570937 -0.00165804 0.00238957 66
19700 70 C 17.9026 34.1566 62.4246 0.00396333 -0.00265553 -0.00175007 66
19701 71 C 17.7511 33.5302 61.0133 -0.00517118 0.00148956 0.000546391 66
19702 72 C 17.4489 34.585 59.9352 0.00326825 -0.00102296 -0.00504579 66
19703 73 C 17.3835 34.0293 58.4649 0.0018277 0.00172473 0.00368954 66
19704 74 C 16.6264 32.6971 58.2792 -0.0041213 -0.00120002 -0.00346485 66
19705 75 C 15.9817 32.6699 56.8939 0.00378835 0.00359092 -0.00201653 66
19706 76 C 16.913 32.9473 55.7095 0.00163329 0.000611382 0.00159025 66
19707 77 C 16.0788 32.9746 54.4498 0.00453046 0.00136887 0.00187206 66
19708 78 C 16.9704 33.0791 53.1685 0.000160142 -0.000869149 -0.00276201 66
19709 79 C 16.0329 32.9701 51.9224 0.0010326 -0.000162426 0.00317701 66
19710 80 C 16.7782 32.972 50.5677 -0.00484481 0.00314023 -0.000615343 66
19711 81 C 15.8394 33.3021 49.4156 -0.000345729 0.00144501 -0.00203274 66
19712 82 C 20.1224 38.8376 62.3557 0.00406644 -0.000792585 -0.00706276 66
19713 83 C 20.0515 38.6872 60.8171 -0.00217223 0.00275157 -0.00298535 66
19714 84 C 20.155 40.0072 60.0227 0.000780768 0.00192936 0.00450898 66
19715 85 C 20.8749 39.8866 58.636 0.00363869 0.00225201 0.000397919 66
19716 86 C 20.0125 39.8301 57.3602 0.00215199 0.000349386 0.00533579 66
19717 87 C 20.9339 39.4605 56.2048 -0.00230804 0.000241219 0.00321568 66
19718 88 C 20.3212 39.1407 54.8264 0.00333618 0.003279 -0.00247906 66
19719 89 C 19.7551 40.3089 53.9719 -0.00117485 0.000103513 0.00121021 66
19720 90 C 19.4283 39.906 52.5178 0.00172222 -0.000613357 -0.00453766 66
19721 91 C 20.7289 39.6679 51.6859 0.000786466 0.00122217 0.00260748 66
19722 92 C 20.4398 39.4865 50.1885 0.00190451 0.00149683 -0.00319165 66
19723 93 C 21.7616 39.23 49.43 -0.000549729 0.000791077 0.000548842 66
19724 94 C 18.0975 39.5777 82.0634 0.000152553 8.33515e-05 -0.000333632 66
19725 95 C 18.261 39.0874 83.5313 -0.000519745 0.00272044 0.00148159 66
19726 96 C 17.0978 39.4144 84.4159 -0.00537639 0.00101963 -0.00311984 66
19727 97 C 17.3874 39.0782 85.8491 0.000601606 0.00368019 -0.00220286 66
19728 98 C 16.4588 39.8015 86.8679 0.00136372 0.00520157 0.00467052 66
19729 99 C 16.9354 39.5233 88.2919 -0.000828922 -0.00316342 -0.00398886 66
19730 100 C 16.1601 40.3249 89.3429 0.000910575 -0.00224777 0.00217345 66
19731 101 C 16.4512 39.7602 90.7323 0.000398159 -0.00216948 0.00483613 66
19732 102 C 17.844 40.1156 91.2893 0.000389284 0.00259545 -0.00211817 66
19733 103 C 18.0518 39.6025 92.7232 -0.00473996 0.000914818 -0.00451223 66
19734 104 C 17.23 40.3009 93.7802 0.00137264 -0.00312265 -0.00235898 66
19735 105 C 17.2799 39.5331 95.1092 0.00274826 -0.00272129 0.00101802 66
19736 106 C 23.4372 42.7129 81.9306 0.00191576 -0.00294476 -0.00175258 66
19737 107 C 23.6526 42.288 83.3314 -0.00360044 0.00140866 -0.00196743 66
19738 108 C 23.9466 43.3954 84.3232 -0.000764547 -0.0062028 -0.00130891 66
19739 109 C 24.193 42.8731 85.7241 -0.000535503 0.0020375 0.00236452 66
19740 110 C 24.1618 43.9655 86.768 0.00157908 -0.000502392 -0.00709069 66
19741 111 C 24.7458 43.4011 88.098 -0.00201596 0.00273503 -0.000105677 66
19742 112 C 24.422 44.297 89.3158 0.00451993 -0.00295387 -0.00167182 66
19743 113 C 25.0729 43.7043 90.5806 0.00187967 -0.000954011 -0.000919544 66
19744 114 C 24.683 44.4692 91.8239 0.000109764 -0.000730474 0.00171092 66
19745 115 C 25.2301 43.8503 93.1121 0.00200125 0.000956971 -0.000333927 66
19746 116 C 24.7191 44.489 94.4267 0.00339735 0.000998088 0.00820791 66
19747 117 C 25.3775 43.8921 95.6895 0.00109051 0.00623384 -0.00140105 66
19748 118 C 24.1033 35.5473 82.5611 -0.00341655 -0.00104236 -0.00262238 66
19749 119 C 24.0657 35.4812 84.1018 0.000232667 0.00563298 -0.000693337 66
19750 120 C 24.8374 34.2603 84.6007 -0.000335186 0.00108273 0.00251859 66
19751 121 C 24.8341 33.8278 86.0832 0.000610666 -0.00246161 -0.00278336 66
19752 122 C 24.4788 34.8739 87.2203 -0.00389736 -0.000577594 -0.00176091 66
19753 123 C 25.0064 34.2284 88.5414 0.00269743 0.000900772 0.00152081 66
19754 124 C 24.6498 35.0149 89.8379 9.66736e-05 0.00177031 0.00144578 66
19755 125 C 25.1646 34.2649 91.0979 -0.00290675 -0.000759482 0.00151151 66
19756 126 C 24.6754 34.9371 92.3813 0.00168678 0.00172871 -0.00222212 66
19757 127 C 25.2172 34.1508 93.5975 0.00212757 0.00486664 -0.00381367 66
19758 128 C 24.467 34.4801 94.9053 -0.0013109 -0.00255028 -0.000289171 66
19759 129 C 24.8949 35.8036 95.5905 -0.00294363 -0.0015162 0.00197469 66
19760 130 F 19.9348 39.5863 73.3258 -0.00252079 0.00190227 0.00176103 66
19761 131 H 24.4047 43.1643 79.4781 0.00349842 -0.00194517 -0.00743867 66
19762 132 H 24.4697 42.8643 77.0409 0.00883877 -0.00680934 -0.00438222 66
19763 133 H 23.6271 40.8121 76.0162 0.00127329 -0.00239029 -0.00308766 66
19764 134 H 17.3524 39.5324 79.6692 -0.000318981 -0.00146051 -0.000700559 66
19765 135 H 17.4944 39.2233 77.2333 0.00266621 -0.00143216 8.10838e-05 66
19766 136 H 19.6402 38.8158 76.104 0.00377585 0.00450542 -0.00148339 66
19767 137 H 24.6152 34.8329 80.3813 -0.00180979 -0.0100491 -0.00875149 66
19768 138 H 24.7159 34.6752 77.9618 0.00694887 0.00578414 -0.00938981 66
19769 139 H 23.5624 36.4003 76.5609 -0.00186133 -0.000301666 0.00284176 66
19770 140 H 22.5068 35.5601 71.202 0.000915769 0.00405068 -0.0109453 66
19771 141 H 23.1436 36.302 73.4502 0.00205792 0.00380057 -0.000305047 66
19772 142 H 17.5461 32.2197 67.3791 0.00106719 0.013804 0.0211109 66
19773 143 H 17.642 31.9674 64.9038 0.00509505 -0.00742366 0.00741707 66
19774 144 H 18.7401 34.1735 68.4923 0.00114229 -0.010277 -0.00151151 66
19775 145 H 25.0134 36.4889 66.5421 -0.00755937 0.00554255 0.0110291 66
19776 146 H 24.696 36.223 63.9969 -0.00140088 -0.00709623 0.00244067 66
19777 147 H 22.9446 36.3956 68.0009 -0.0119731 -0.0056007 0.00494972 66
19778 148 H 18.0776 40.378 67.0705 -0.00255984 -0.00254703 -0.000360656 66
19779 149 H 17.9624 40.3506 64.6765 0.00437445 0.00752376 0.00866317 66
19780 150 H 19.9356 36.0118 63.3776 -0.00761669 0.00731099 -0.00184294 66
19781 151 H 18.8841 38.3651 68.2998 -0.00628367 -0.000811134 0.00263696 66
19782 152 H 22.0198 39.1117 81.1456 0.0137604 -0.0031622 -0.00373208 66
19783 153 H 23.0817 33.6898 62.4896 -0.00167554 -0.0020392 0.0113419 66
19784 154 H 21.4214 33.9876 63.2285 -0.0137484 -0.0057876 -0.0136365 66
19785 155 H 20.5177 33.6074 61.3432 -0.00345244 -7.49608e-05 -0.0062976 66
19786 156 H 22.0266 33.4908 60.5024 -0.00284867 -0.00430335 0.00260503 66
19787 157 H 21.9192 36.1027 60.4431 -0.00125681 0.00507398 0.000566089 66
19788 158 H 20.1988 35.849 60.7593 -0.00151297 0.00215038 -0.0116574 66
19789 159 H 20.2272 34.1112 58.9157 0.00212955 -0.00256364 0.00271831 66
19790 160 H 21.8813 34.6199 58.5532 -0.00455505 -7.15378e-06 -0.00740199 66
19791 161 H 21.2489 36.8826 57.966 -0.00252662 0.00101639 -0.00491192 66
19792 162 H 19.5898 36.7082 58.4416 0.00686911 0.00863808 0.00192241 66
19793 163 H 19.9061 36.6697 56.0253 -0.0122755 0.00599504 0.0126304 66
19794 164 H 19.1763 35.129 56.5908 0.00538627 -0.00929948 0.00707275 66
19795 165 H 21.1624 33.9034 56.4011 -0.00541236 -0.000920464 0.00263381 66
19796 166 H 22.1771 35.2506 55.9198 0.00420602 -0.00866658 0.00502769 66
19797 167 H 19.776 34.2509 54.2694 0.00171453 -0.00217402 0.00161722 66
19798 168 H 21.4688 33.805 54.0192 0.00869131 0.00487739 -0.00769563 66
19799 169 H 22.0066 36.3616 53.8305 0.0106096 -0.0178129 0.000387685 66
19800 170 H 20.2857 36.6485 53.7997 0.00932887 0.00291165 -0.000474518 66
19801 171 H 21.8657 34.9797 51.7252 0.00799592 0.012586 -0.00685817 66
19802 172 H 21.3171 36.6394 51.5544 0.00347857 0.000415431 -0.0051672 66
19803 173 H 18.9175 35.779 51.9367 0.0112507 0.0127854 0.00316867 66
19804 174 H 19.5322 34.1589 51.6988 0.0097988 0.000696423 0.000627446 66
19805 175 H 18.6211 35.4153 49.5426 -0.000155909 0.0114905 -0.0018448 66
19806 176 H 20.2923 34.7958 49.4077 -0.00581129 -0.00295397 -0.00555859 66
19807 177 H 20.0468 36.4528 49.7366 -0.0158021 0.00392763 -0.00501869 66
19808 178 H 16.9646 34.0498 62.9833 0.00144308 -0.00338235 -0.0061333 66
19809 179 H 18.137 35.2252 62.3439 -0.00916187 0.000582678 0.00297637 66
19810 180 H 18.6311 32.9319 60.7468 -0.00064104 -0.00187093 0.0229799 66
19811 181 H 16.953 32.7802 61.077 -0.015767 0.0132182 0.00562685 66
19812 182 H 16.4712 35.039 60.1388 0.00134212 -0.00445658 -0.00664286 66
19813 183 H 18.1029 35.4655 59.9535 0.00465051 -0.00175184 -0.018554 66
19814 184 H 16.9773 34.8272 57.831 -0.00461086 -0.00498207 -0.000617394 66
19815 185 H 18.3887 33.7655 58.1135 0.00364981 0.0121286 0.0011558 66
19816 186 H 17.2909 31.8595 58.5248 -0.0105026 -0.0050527 0.000698346 66
19817 187 H 15.8148 32.631 59.0143 0.0124857 -0.01002 0.0140899 66
19818 188 H 15.4309 31.7314 56.7555 0.0153047 -0.00231322 -0.00772209 66
19819 189 H 15.1964 33.4357 56.906 -0.00598934 -0.00659341 0.00903065 66
19820 190 H 17.3602 33.9388 55.852 0.00674561 -0.00144343 -0.00024206 66
19821 191 H 17.6882 32.1715 55.6852 -0.00581496 -0.00690169 0.00360704 66
19822 192 H 15.4264 32.0937 54.4062 0.0034443 0.00164901 0.0124105 66
19823 193 H 15.3886 33.8265 54.4854 0.0190571 0.01309 0.00261307 66
19824 194 H 17.4826 34.0491 53.1726 0.00307083 -0.00243872 0.00430135 66
19825 195 H 17.6923 32.2554 53.1066 -0.00127168 -0.00247333 0.0019322 66
19826 196 H 15.348 32.1152 51.9812 -0.0138318 0.0111239 -0.00534969 66
19827 197 H 15.363 33.8373 51.9741 -0.00456915 -0.00471792 0.00718378 66
19828 198 H 17.5318 33.7684 50.6027 0.00957354 -0.0103472 -0.00451707 66
19829 199 H 17.3109 32.0305 50.3851 -0.00954669 0.00252585 -0.0111429 66
19830 200 H 16.3476 33.3835 48.4469 0.000223256 0.00494738 -0.00143759 66
19831 201 H 15.1337 32.4666 49.3299 0.00141728 0.000728388 -0.00953216 66
19832 202 H 15.2489 34.2141 49.5672 -0.00134176 0.00141011 -0.00568305 66
19833 203 H 20.4598 39.8256 62.6926 -0.005852 0.00464966 -0.0130986 66
19834 204 H 20.8651 38.0834 62.6437 -0.00358111 -0.00396811 0.00430349 66
19835 205 H 20.8314 37.9799 60.5093 -0.00502242 -0.0016939 -2.70741e-05 66
19836 206 H 19.1088 38.1933 60.5511 -0.00430781 0.00344358 0.00328096 66
19837 207 H 19.1396 40.3914 59.8656 -0.00646015 -0.013294 0.0140472 66
19838 208 H 20.6813 40.7837 60.5914 -0.0045057 0.0171024 -0.0112518 66
19839 209 H 21.5524 40.7429 58.5303 -0.00376332 0.0074795 -0.00466059 66
19840 210 H 21.5648 39.0344 58.6691 0.00138184 0.000946907 0.0136823 66
19841 211 H 19.2324 39.0644 57.4528 0.00971377 -0.00744209 0.0046326 66
19842 212 H 19.5361 40.8033 57.1895 0.000234796 -0.00245474 -0.00529174 66
19843 213 H 21.7205 40.2204 56.1194 -0.000279318 -0.0025223 -0.00264865 66
19844 214 H 21.45 38.5234 56.4473 -0.0123014 -0.00402376 0.00798057 66
19845 215 H 21.1649 38.6899 54.2894 0.00420922 0.00251535 -0.000470893 66
19846 216 H 19.521 38.3932 54.8923 -0.00137539 0.00966283 0.012556 66
19847 217 H 18.8068 40.5912 54.4457 0.0012725 0.0117137 -0.000834325 66
19848 218 H 20.4284 41.1747 53.9511 0.00963796 -0.00819636 0.00621573 66
19849 219 H 18.7894 39.0159 52.4646 0.00944785 -0.00660132 0.00292874 66
19850 220 H 18.8908 40.7503 52.0687 0.0029604 0.000927736 -0.00313065 66
19851 221 H 21.3718 40.5498 51.7975 0.0121934 -0.0064663 -0.00245116 66
19852 222 H 21.2609 38.7697 52.0231 -0.0101835 -0.00424341 0.0053789 66
19853 223 H 19.7407 38.6503 50.064 0.00767057 -0.00436237 0.00373778 66
19854 224 H 19.9862 40.3784 49.7389 0.00279212 0.00225838 -0.00257652 66
19855 225 H 21.6261 39.1827 48.3424 0.00521253 0.00457513 -0.000327693 66
19856 226 H 22.5007 40.0011 49.6799 0.00614022 -0.00143675 -0.0124183 66
19857 227 H 22.1316 38.2241 49.6638 0.00127523 -0.000865806 -0.00939369 66
19858 228 H 17.8921 40.6547 82.0265 0.0132402 0.00229616 -0.00820958 66
19859 229 H 17.2344 39.051 81.6379 0.000656326 0.00225392 -0.0040357 66
19860 230 H 18.3757 37.9973 83.4895 0.0021477 0.00303617 0.000511342 66
19861 231 H 19.1932 39.5069 83.9293 0.00327812 -0.00354357 -0.000803379 66
19862 232 H 16.9775 40.5012 84.3272 -0.0108927 0.00157219 0.0112055 66
19863 233 H 16.1826 38.8968 84.103 -0.00383439 -0.00243132 -0.00194351 66
19864 234 H 17.3647 37.9846 85.9329 0.00670614 0.00452277 0.0100485 66
19865 235 H 18.4209 39.4006 86.026 0.00127594 -0.00648864 0.0121696 66
19866 236 H 16.5628 40.8859 86.7394 0.00628655 0.00421556 0.000263459 66
19867 237 H 15.4391 39.4264 86.7162 0.00153838 0.00120429 0.0133534 66
19868 238 H 16.932 38.4445 88.4908 0.00331202 -0.00227601 0.000889444 66
19869 239 H 17.9626 39.9077 88.3151 -0.000388918 -0.00518541 0.00904336 66
19870 240 H 16.3292 41.4075 89.2905 0.00612649 -0.00325016 -0.00153271 66
19871 241 H 15.0963 40.1896 89.1118 0.000125567 0.00521097 0.00142666 66
19872 242 H 15.6576 40.0973 91.4105 -0.000393638 -0.00143342 0.00354568 66
19873 243 H 16.4318 38.6641 90.6938 -0.00117613 -0.00207587 0.00304757 66
19874 244 H 18.6133 39.7079 90.6219 -0.0181207 -0.0156272 -0.012278 66
19875 245 H 18.0402 41.1941 91.2493 -0.0121186 0.00529995 0.0101448 66
19876 246 H 17.7355 38.5524 92.7465 -0.000957644 0.000163848 0.0133308 66
19877 247 H 19.094 39.6928 93.0535 -0.00362534 -0.0102143 -0.005008 66
19878 248 H 17.5957 41.3265 93.9143 0.00468334 -0.00510426 0.00372494 66
19879 249 H 16.166 40.4255 93.5437 0.00512621 0.0123688 -0.0111027 66
19880 250 H 18.2595 39.6555 95.5874 -0.00995249 0.0119095 0.0233572 66
19881 251 H 16.5357 39.9622 95.7914 0.00495995 -0.00543725 0.00513421 66
19882 252 H 17.0314 38.4748 94.9617 0.00647102 -0.00387591 0.00305073 66
19883 253 H 24.3378 43.2665 81.6379 -0.00292903 0.00158412 -0.0080686 66
19884 254 H 22.5575 43.3671 81.8897 0.00173298 -0.00305161 0.000398277 66
19885 255 H 22.7441 41.7608 83.6479 -0.00532137 0.00142329 -0.00687499 66
19886 256 H 24.5133 41.6095 83.2824 0.00119292 0.00654464 0.0113219 66
19887 257 H 24.7409 44.0865 84.0149 0.00780566 -0.0139972 0.00330207 66
19888 258 H 23.0034 43.9536 84.369 -0.00294392 -0.00970598 -0.00346455 66
19889 259 H 23.473 42.0785 85.9553 -0.00018418 -0.0015283 -0.00873748 66
19890 260 H 25.13 42.3041 85.7648 -0.00507197 -0.00547139 0.00206913 66
19891 261 H 24.7232 44.8404 86.4177 0.00136482 0.00710659 0.0115906 66
19892 262 H 23.1232 44.286 86.9169 0.00568402 0.00882468 0.00147345 66
19893 263 H 24.2795 42.4152 88.2162 -0.00208628 0.00301945 0.00194743 66
19894 264 H 25.821 43.2159 87.9838 -0.00412831 -0.00486367 -0.00780528 66
19895 265 H 24.7804 45.3144 89.116 -0.00145991 -0.00137542 -0.00438008 66
19896 266 H 23.3283 44.3743 89.3528 0.00551437 0.0173866 -0.0135731 66
19897 267 H 24.6951 42.6746 90.5973 0.00703986 -0.00273864 0.00427727 66
19898 268 H 26.1604 43.717 90.4367 0.00325435 0.00684145 0.0102112 66
19899 269 H 25.0366 45.5046 91.7439 -0.00137405 -0.00173531 -0.0178133 66
19900 270 H 23.589 44.529 91.8787 -0.00106946 -0.00950444 -0.0123014 66
19901 271 H 25.0733 42.765 93.1418 0.00753017 -4.76676e-05 -0.00765103 66
19902 272 H 26.322 43.943 93.0624 0.0014959 0.0105371 0.0066115 66
19903 273 H 24.9042 45.5681 94.3575 0.00071782 -0.00018082 -0.0176873 66
19904 274 H 23.6434 44.2833 94.4895 0.00403743 -0.00196397 0.00954292 66
19905 275 H 24.925 44.3668 96.5688 0.0136153 0.00242756 0.00709963 66
19906 276 H 25.3008 42.8009 95.772 0.00154879 0.00599558 -0.00413881 66
19907 277 H 26.4388 44.1636 95.7469 0.000749302 0.0072424 0.000165451 66
19908 278 H 23.6304 34.6022 82.2668 0.00121546 -0.00355905 -0.00197676 66
19909 279 H 25.1515 35.5641 82.2381 -0.000525324 -0.00320448 0.00667147 66
19910 280 H 23.0218 35.4037 84.43 0.000171947 -0.0145716 -0.00568722 66
19911 281 H 24.4745 36.3598 84.6159 0.000917066 0.00831117 -0.00583815 66
19912 282 H 25.8539 34.2471 84.1885 -0.000185668 -0.0102786 0.00324564 66
19913 283 H 24.3933 33.3879 84.1056 0.000436623 -0.000841826 0.00521683 66
19914 284 H 25.8437 33.4514 86.289 0.00343085 0.00266544 -0.0072408 66
19915 285 H 24.1856 32.9555 86.2316 -0.00157174 0.0011063 0.00875077 66
19916 286 H 23.3978 35.0345 87.315 -0.00242821 0.00593145 0.00404453 66
19917 287 H 24.9482 35.8536 87.0674 -0.00462713 0.00311293 0.0195543 66
19918 288 H 26.1008 34.1789 88.4849 0.00234736 -0.00675859 0.00147627 66
19919 289 H 24.6832 33.1828 88.6153 0.0111906 -0.00205016 -0.00291726 66
19920 290 H 23.5628 35.1353 89.9242 0.000399437 -0.00105578 0.00924443 66
19921 291 H 25.0757 36.0245 89.7867 0.0175135 -0.00533775 0.00639377 66
19922 292 H 26.2591 34.3362 91.1184 -0.00307535 0.00337714 -0.00366918 66
19923 293 H 24.8571 33.2119 91.1099 -0.00975086 0.00122238 0.000171789 66
19924 294 H 23.5786 34.913 92.3781 0.00170262 0.000712195 0.000550427 66
19925 295 H 24.9187 36.0047 92.4472 0.0142052 -0.00121054 -0.0011798 66
19926 296 H 26.2906 34.336 93.7276 0.00200637 0.0064101 -0.00501931 66
19927 297 H 25.1394 33.0776 93.3835 -0.00910429 0.00455077 0.00194415 66
19928 298 H 24.5466 33.639 95.6051 0.00650085 -0.0128896 -0.0136097 66
19929 299 H 23.4032 34.5926 94.6624 -0.00333355 -0.0126076 0.0039699 66
19930 300 H 24.0719 36.1167 96.2447 0.00165282 0.00082755 0.00661594 66
19931 301 H 25.0202 36.6264 94.8757 0.0135712 -0.00129147 0.0051558 66
19932 302 H 25.811 35.6242 96.1666 -0.00397302 -0.00357668 0.00297411 66
19933 1 C 28.0469 35.6315 80.3103 -0.000762814 0.00213977 -0.00212469 67
19934 2 C 28.0789 35.4673 78.9361 0.00120324 -0.00168222 0.000809759 67
19935 3 C 27.5322 34.3433 78.3423 -0.00244083 0.00161721 -0.00255893 67
19936 4 C 26.8642 33.4089 79.1455 0.000721085 -0.0017663 -0.00117153 67
19937 5 C 26.8192 33.5256 80.5469 -0.00184811 -0.000631067 -0.00458815 67
19938 6 C 27.4679 34.6739 81.153 -0.0030004 0.00186234 0.000930274 67
19939 7 C 22.2375 32.2926 80.3465 6.88576e-05 -0.00187392 0.00268053 67
19940 8 C 22.2814 32.2744 78.9412 0.00080093 -0.000211023 0.00358485 67
19941 9 C 23.5273 32.2699 78.3179 -0.000369165 -0.00660104 0.00410174 67
19942 10 C 24.698 32.2421 79.1264 -0.000708286 -0.0034761 -0.0037195 67
19943 11 C 24.6406 32.2945 80.5558 -9.68724e-05 -0.00106089 0.00578807 67
19944 12 C 23.3673 32.2884 81.1595 -0.00135229 -0.000787607 0.00185638 67
19945 13 C 27.8008 28.8933 80.8636 -0.00407643 -0.00350442 0.00236328 67
19946 14 C 27.8209 28.7892 79.4689 0.00335491 0.00179085 -0.000739372 67
19947 15 C 27.2968 29.8345 78.6987 0.00305864 0.000901748 0.00201949 67
19948 16 C 26.7344 30.9618 79.3389 0.00406543 0.00261931 0.000563466 67
19949 17 C 26.1267 32.1696 78.5997 -0.00409646 0.000788436 -0.00241586 67
19950 18 O 27.3573 30.0102 82.9322 0.00223428 -0.00165288 -0.00247303 67
19951 19 O 23.1167 32.3224 82.5307 -0.00219831 -0.00148762 -0.000147319 67
19952 20 O 27.3954 34.9735 82.5045 0.00192909 0.002242 0.002351 67
19953 21 C 27.2748 30.0027 81.5474 -0.00300509 -0.000294208 0.00126984 67
19954 22 C 26.1277 31.9936 77.1566 -0.00350866 -0.000182466 -0.00240179 67
19955 23 C 25.9036 31.8161 75.979 -0.0034321 -0.00155682 0.00562848 67
19956 24 C 25.5382 31.4377 74.6435 -0.00154695 -0.00189514 0.00333921 67
19957 25 C 24.9509 32.3326 73.7655 0.00378044 0.000472453 1.41264e-05 67
19958 26 C 24.4916 31.8937 72.5133 0.00348713 0.0020413 -0.0043185 67
19959 27 C 24.6464 30.5197 72.1854 0.00274188 -0.00644398 0.00247066 67
19960 28 C 25.2661 29.6021 73.0316 -0.00275032 0.00564302 -0.000855097 67
19961 29 C 25.7645 30.0763 74.2776 -0.00131078 0.00201701 -0.00266564 67
19962 30 C 24.2695 30.0421 70.8618 0.000293107 -0.00219651 0.00182886 67
19963 31 C 24.0247 29.7454 69.7098 0.000553773 0.000575311 0.0013665 67
19964 32 C 22.035 26.2454 67.837 -0.00580502 0.000529404 -0.00506076 67
19965 33 C 22.1334 26.0883 66.4628 1.03368e-05 0.0038217 -0.00487607 67
19966 34 C 22.7343 27.1204 65.6844 0.00265715 -0.00110844 0.00109845 67
19967 35 C 23.3208 28.2063 66.3023 -0.00047312 -0.0010861 -0.00177287 67
19968 36 C 23.3003 28.3014 67.7073 0.0012955 -0.000645431 -0.000122578 67
19969 37 C 22.6304 27.3343 68.4657 0.00241748 -0.000755053 0.00218647 67
19970 38 C 23.9527 29.5735 68.268 0.00368479 -0.00302683 0.0025868 67
19971 39 C 27.8418 29.4435 67.6442 0.000844347 -0.00699992 0.0022347 67
19972 40 C 27.8269 29.5281 66.2414 -0.00284448 -0.00337272 0.00364267 67
19973 41 C 26.6134 29.4965 65.5299 -0.00112236 0.000382363 0.00151174 67
19974 42 C 25.4206 29.4458 66.2294 -0.00183042 0.000339986 -0.00444214 67
19975 43 C 25.3756 29.5193 67.6337 -0.000254566 -0.00171213 -9.65926e-06 67
19976 44 C 26.6178 29.5338 68.316 -0.0027184 0.000219052 -0.00248066 67
19977 45 C 22.0063 32.796 67.205 0.000548102 -0.0034345 -0.000842045 67
19978 46 C 22.0033 32.6257 65.8137 0.000175884 1.66819e-05 -0.00328235 67
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20538 2 C 35.4516 35.361 78.3398 -0.00375025 -0.000677107 0.00128783 69
20539 3 C 34.8589 34.2245 77.8381 -0.000558068 -0.00216897 -0.00597718 69
20540 4 C 34.3863 33.2357 78.7109 0.00308014 0.00354243 0.00244865 69
20541 5 C 34.4685 33.3562 80.1218 -0.00315198 -0.000104972 -0.000147664 69
20542 6 C 35.0612 34.5323 80.656 0.00265442 2.43803e-05 0.00247702 69
20543 7 C 29.8881 32.1379 80.4007 0.000177049 0.000656373 0.0019547 69
20544 8 C 29.8616 32.1401 79.0088 -0.000641559 -0.000848903 4.53619e-05 69
20545 9 C 31.0253 32.1001 78.2692 0.00087892 -0.000305692 0.00359522 69
20546 10 C 32.2585 32.0913 78.9552 0.000691322 -0.00275343 0.000983658 69
20547 11 C 32.3145 32.2048 80.3772 0.000741714 -0.00314188 0.0022599 69
20548 12 C 31.0972 32.2824 81.1497 0.00418531 0.00207294 -0.00219515 69
20549 13 C 35.5847 28.7462 80.2598 -0.00116636 0.00167004 -0.00193416 69
20550 14 C 35.5371 28.7526 78.861 0.00337557 -0.00125594 0.00119064 69
20551 15 C 34.9188 29.7814 78.1991 -0.00196204 0.00432386 -0.00345198 69
20552 16 C 34.3242 30.8126 78.914 -0.000794519 0.00391492 -0.0043693 69
20553 17 C 33.6001 31.9913 78.2242 -0.00412948 0.00237073 -0.00492498 69
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20558 22 C 33.4655 31.8013 76.7808 -0.000321132 0.00135318 -0.000193088 69
20559 23 C 33.2047 31.5205 75.633 -0.00314412 0.00128512 -0.00347043 69
20560 24 C 32.8694 31.1428 74.3134 0.00162852 0.000504813 -0.000925809 69
20561 25 C 33.0452 29.804 73.8963 1.68453e-06 0.00457057 -0.0021863 69
20562 26 C 32.6769 29.4278 72.5851 7.4602e-05 0.000349407 0.00573933 69
20563 27 C 32.1924 30.4003 71.6673 0.00135932 0.000792719 -0.000283219 69
20564 28 C 31.9953 31.7248 72.1165 0.00200668 -0.00262033 -0.000365209 69
20565 29 C 32.3177 32.0907 73.4312 -0.00456091 -0.00249362 0.00108612 69
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20583 47 C 30.5962 31.4433 64.5688 0.00303191 -0.00404609 1.39601e-05 69
20584 48 C 31.1925 30.5565 65.4449 0.00150197 0.00111332 0.00104691 69
20585 49 C 31.9657 29.3267 64.9901 0.00227981 0.000181267 -0.00489202 69
20586 50 C 31.1439 30.724 66.8312 0.00133386 -0.00384433 -0.00190844 69
20587 51 C 30.5217 31.8535 67.3633 0.00411386 0.000776227 -0.000824612 69
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20592 56 C 34.4069 30.872 80.3261 -0.00059263 0.00016875 -0.00337845 69
20593 57 C 34.424 30.7061 63.0822 0.00011186 0.00631518 0.00282956 69
20594 58 C 34.4783 30.6928 61.5453 0.00191639 -0.00232927 0.000647547 69
20595 59 C 33.1389 30.2296 60.9136 -0.000780094 -0.002337 0.00242844 69
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20597 61 C 32.9252 29.4077 58.4532 -0.000848701 -0.00102398 0.000833192 69
20598 62 C 32.849 29.8807 57.0043 0.000723737 -0.00522612 -0.000498903 69
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20601 65 C 32.5407 28.2315 53.5118 0.00117876 0.000585819 -0.00191431 69
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20604 68 C 32.0959 28.4702 49.5996 0.000774337 0.00574368 0.00461971 69
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20607 71 C 31.7429 26.2467 61.544 0.00153151 0.00152624 0.00349575 69
20608 72 C 31.9433 25.0258 60.6185 -0.00119247 -0.000247228 0.00117271 69
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20612 76 C 32.2419 23.9058 55.5534 -0.000122049 0.00192527 -2.29355e-05 69
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20614 78 C 32.1461 23.6692 52.9453 -0.00222836 0.00136646 0.00427769 69
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20620 84 C 29.5813 31.5953 60.5481 -0.000165655 -0.00284457 -0.00163462 69
20621 85 C 29.002 31.7315 59.1474 0.00089024 -0.00302324 0.00282355 69
20622 86 C 29.197 30.5505 58.2002 0.00152001 0.00393886 0.000735259 69
20623 87 C 28.8904 30.9858 56.7569 0.00249346 0.00263818 0.00044664 69
20624 88 C 28.7216 29.7534 55.8217 0.00127864 -0.00159361 0.00113217 69
20625 89 C 28.0473 30.1352 54.4688 -0.00036393 -0.00212583 -0.00412943 69
20626 90 C 28.9654 30.9014 53.5094 -0.00204885 -0.00337541 0.000101665 69
20627 91 C 28.3596 31.0941 52.087 -0.000480014 -0.000170505 -0.00437693 69
20628 92 C 28.4035 29.7643 51.2332 -0.00290627 0.000769169 0.001643 69
20629 93 C 28.0514 30.0059 49.7527 -0.000839314 0.00430145 -0.00180363 69
20630 94 C 29.6991 32.4441 83.2277 0.00662962 -0.000485766 -5.76702e-05 69
20631 95 C 29.759 32.9113 84.7064 -0.00278837 -0.000535944 -0.000257233 69
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20633 97 C 28.4328 32.118 86.8013 0.00076611 0.000712471 0.00151688 69
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20635 99 C 28.5072 32.2496 89.3009 0.00426982 0.000159796 0.00378732 69
20636 100 C 29.1395 32.8948 90.5441 -0.00102362 -0.00172945 -0.00223273 69
20637 101 C 28.5404 32.2077 91.7472 -0.00268393 0.00304481 -0.000634756 69
20638 102 C 29.0078 32.8095 93.1229 0.00118463 -0.00139654 -0.000441913 69
20639 103 C 28.2308 32.0778 94.2318 0.00190937 -0.00434667 -0.0039253 69
20640 104 C 28.6588 32.4038 95.659 0.00047201 -0.00321363 -0.000599164 69
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20642 106 C 35.8102 35.9523 82.5614 -0.000702399 -0.00168823 -0.00163674 69
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20644 108 C 36.5533 37.3063 84.6081 -0.00327355 -0.00111397 -0.000344157 69
20645 109 C 36.2538 37.6249 86.0781 0.00563384 -0.00354321 0.00342695 69
20646 110 C 37.0521 36.7102 87.05 -0.00630577 0.00118864 0.000852949 69
20647 111 C 37.0672 37.3227 88.4497 -0.0013407 0.00239189 0.00203854 69
20648 112 C 36.115 36.6709 89.4358 0.00113503 -0.000370944 0.000336701 69
20649 113 C 36.6558 37.0923 90.8325 -0.00105512 -0.00106245 -0.00301089 69
20650 114 C 35.8894 36.3466 91.9451 -0.00161661 0.00138982 0.00126286 69
20651 115 C 36.4047 36.7746 93.3225 0.00157316 -0.000576255 -0.000747125 69
20652 116 C 35.8786 35.9503 94.4812 0.00137046 0.000438942 -0.00368987 69
20653 117 C 36.4989 36.2573 95.8425 0.00305252 0.00165977 -0.000114024 69
20654 118 C 35.6267 28.6163 83.1311 -0.000662166 -0.000931411 -0.00241111 69
20655 119 C 35.8982 28.801 84.6695 0.00323752 0.00365489 0.000636543 69
20656 120 C 36.4923 27.5757 85.3591 0.000866563 -0.000680308 2.12902e-05 69
20657 121 C 37.0956 27.8938 86.7452 0.00427625 -0.000229073 0.00123961 69
20658 122 C 36.1605 27.6298 87.9126 0.000570841 -0.00157888 -6.40514e-05 69
20659 123 C 36.9309 27.7131 89.2839 -0.00325114 -0.00127514 -0.000410592 69
20660 124 C 36.2014 27.367 90.6108 -0.000688769 0.00421009 0.000298409 69
20661 125 C 37.1236 27.4219 91.8437 -0.00355894 0.000783763 0.0002026 69
20662 126 C 36.3584 27.1619 93.1342 -0.0036262 0.00090168 0.00674723 69
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20825 289 H 37.8121 27.072 89.1576 0.00596807 0.010226 0.0054978 69
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20840 2 C 39.4896 42.1379 78.3193 0.00116045 0.00260842 0.0002898 70
20841 3 C 38.9001 41.0843 77.718 -0.00320292 0.00174187 -0.00754546 70
20842 4 C 38.2899 40.099 78.486 -0.00185007 -0.00184068 0.000607618 70
20843 5 C 38.3325 40.1596 79.9103 0.00268193 0.00345352 0.000463534 70
20844 6 C 38.9527 41.2847 80.5353 0.000128192 -0.000159721 0.0015996 70
20845 7 C 33.8459 39.0092 79.765 0.0036066 0.00335575 0.00331144 70
20846 8 C 33.8421 38.921 78.3528 -0.00257941 -0.00276775 0.00351179 70
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20850 12 C 34.9851 38.9456 80.5603 -0.000346087 -0.00193519 -0.00420393 70
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20852 14 C 39.7047 35.5989 78.4071 -0.00230837 8.16062e-05 0.001524 70
20853 15 C 38.9889 36.6124 77.7515 -0.00216652 -0.00276818 -0.00275077 70
20854 16 C 38.389 37.6371 78.502 -0.00189602 0.00287715 -0.00088043 70
20855 17 C 37.649 38.8567 77.8532 -0.00178865 -0.00232954 0.00233141 70
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20858 20 O 39.0865 41.4374 81.9088 0.00149028 -0.000583253 0.00044711 70
20859 21 C 39.0406 36.6021 80.5602 -0.00278151 -0.0019505 0.00305761 70
20860 22 C 37.6361 38.723 76.382 0.00263717 0.000834617 0.00106599 70
20861 23 C 37.581 38.4637 75.1991 0.00285648 0.00226407 -0.000178054 70
20862 24 C 37.3815 38.0405 73.8246 0.00175635 5.9799e-05 -0.00387854 70
20863 25 C 36.9363 38.9604 72.8472 -0.00116923 0.00203599 1.53054e-05 70
20864 26 C 36.7244 38.5026 71.5373 0.000622131 0.000639121 -0.00359725 70
20865 27 C 36.8245 37.1249 71.2416 0.000199221 -0.000769955 -9.46799e-05 70
20866 28 C 37.3132 36.2133 72.1943 0.000404249 0.000920282 0.002969 70
20867 29 C 37.5661 36.684 73.504 -0.00568242 -0.00106416 0.000178299 70
20868 30 C 36.4629 36.6704 69.9517 -0.00129579 0.00172825 2.44116e-05 70
20869 31 C 36.1982 36.4183 68.7902 0.00234048 0.0027152 0.00370808 70
20870 32 C 33.8401 33.0056 67.1338 -0.00143255 0.00192648 0.00155453 70
20871 33 C 33.7933 32.9022 65.7366 -0.00303654 -0.00222575 0.0029335 70
20872 34 C 34.3464 33.8657 64.9297 0.00112863 -0.000860481 -0.00414753 70
20873 35 C 35.0248 34.9717 65.5071 0.00259142 -0.000947694 0.00112583 70
20874 36 C 35.1199 35.0581 66.9109 0.00248199 -0.00185695 -1.31514e-05 70
20875 37 C 34.4327 34.1202 67.7475 -0.00115971 -0.00370093 -0.000835076 70
20876 38 C 35.9988 36.2784 67.3683 -0.000670465 0.0037258 -0.00338787 70
20877 39 C 39.7531 36.0817 66.3337 -0.00124647 -0.000764266 0.000544871 70
20878 40 C 39.6253 36.0433 64.9562 -0.000325751 0.00578813 0.00335448 70
20879 41 C 38.3495 36.0103 64.364 0.000112867 0.0014822 -0.00207383 70
20880 42 C 37.2184 36.0448 65.1811 0.000728424 2.74748e-05 0.00049477 70
20881 43 C 37.3497 36.1224 66.5938 0.00422174 -0.000887757 0.00445108 70
20882 44 C 38.6265 36.1211 67.1737 -0.000897686 0.000805766 -0.0019884 70
20883 45 C 34.1096 39.5819 66.6489 -0.000438619 0.00298691 0.00221671 70
20884 46 C 34.0506 39.4863 65.24 0.000413201 0.00190284 -0.000791341 70
20885 47 C 34.6198 38.3949 64.563 0.00286206 -6.09248e-05 -0.000643638 70
20886 48 C 35.1828 37.3786 65.2883 0.00116966 0.00281414 0.00106414 70
20887 49 C 35.7547 36.0555 64.7327 2.94897e-05 0.00102673 0.00236048 70
20888 50 C 35.2717 37.4757 66.7118 0.00159097 0.0018187 0.00213057 70
20889 51 C 34.749 38.577 67.3898 0.00229053 -0.00220871 0.00194424 70
20890 52 O 38.1884 35.9611 62.9992 -0.000294196 0.000159229 -0.00427301 70
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21510 68 C 43.5918 36.3642 48.8524 0.00151778 -0.00139435 -0.000493743 72
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21542 100 C 40.6277 38.3452 89.1226 0.00471614 -0.00241505 0.00223936 72
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21545 103 C 39.8245 38.9329 92.9862 -0.00249982 0.000840953 -0.00500303 72
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21552 110 C 47.3401 43.2605 87.1713 0.00131536 -0.00147236 0.00276551 72
21553 111 C 48.2344 42.8172 88.3667 0.00322699 -0.00110884 0.00109179 72
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21559 117 C 48.9868 44.1532 95.3251 -0.000330087 -0.000626797 0.00382717 72
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21565 123 C 48.3385 34.3087 88.1623 0.00152815 0.00313706 -0.00157062 72
21566 124 C 48.2089 33.5348 89.5098 0.00382344 0.00102216 0.00117174 72
21567 125 C 48.3736 34.4715 90.7364 0.00729697 0.00397912 0.00420044 72
21568 126 C 48.6473 33.7416 92.083 -0.000555998 -0.000227381 0.000823733 72
21569 127 C 48.5841 34.7226 93.2891 0.000211083 -0.00487201 0.00279749 72
21570 128 C 49.1965 34.1139 94.574 0.00574482 0.00011694 0.00505127 72
21571 129 C 48.9804 35.0262 95.8318 0.00354567 -0.00247876 -0.000938433 72
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21577 135 H 41.1063 38.6284 77.0443 0.0127725 -0.00387471 -0.0150842 72
21578 136 H 43.3235 38.6128 76.1239 -0.00231003 0.0111715 -0.00298603 72
21579 137 H 47.8061 34.9455 80.7793 -0.00647841 -0.000399923 0.00100265 72
21580 138 H 48.0816 34.6357 78.3893 -0.00286328 -0.00222792 0.0025237 72
21581 139 H 47.2109 36.4084 76.7834 -0.0164667 0.0109394 -5.74812e-05 72
21582 140 H 43.2221 38.4323 71.2469 0.00572086 0.00822077 0.00352821 72
21583 141 H 44.0734 39.2915 73.3545 -0.0109174 -0.0006827 -0.0018118 72
21584 142 H 41.5455 31.8145 66.9576 0.00930237 -0.00835647 -0.0036449 72
21585 143 H 41.498 31.9726 64.4125 0.0108751 -0.00709505 0.000205799 72
21586 144 H 42.4158 33.5895 68.2719 -0.0165939 0.00076122 0.000700049 72
21587 145 H 48.4368 36.1652 66.7976 -0.00188393 0.0180881 -0.0007428 72
21588 146 H 48.2202 36.2207 64.438 0.00506196 0.0179471 0.0122829 72
21589 147 H 46.4354 36.0333 68.2535 0.00586519 0.000777911 0.00284544 72
21590 148 H 41.2288 40.1985 67.689 -0.00564596 0.0012374 -0.00582028 72
21591 149 H 41.2277 40.4449 65.2825 0.0128314 0.010796 0.00956275 72
21592 150 H 43.346 36.4233 63.5733 0.00870287 0.00943037 -0.00391459 72
21593 151 H 42.3154 38.2027 68.7549 -0.000133545 0.00588913 0.00287688 72
21594 152 H 45.4484 39.1436 81.3038 0.000600221 0.0159735 -0.00593491 72
21595 153 H 46.2041 34.7306 61.8194 0.00434727 0.0077794 0.0080124 72
21596 154 H 44.7478 34.7041 62.8142 -0.00222263 0.00197339 0.00464882 72
21597 155 H 44.9927 36.9813 60.7883 -0.0180292 0.00415438 -0.0260001 72
21598 156 H 43.5584 36.172 61.3484 -0.000554171 -0.0108241 -0.002009 72
21599 157 H 44.0118 34.2326 59.9365 -0.000266894 0.00415932 0.0123971 72
21600 158 H 45.6227 34.8692 59.5674 0.00275335 -0.00689581 0.00412703 72
21601 159 H 44.5345 36.8874 58.3885 0.00483768 -0.0012062 0.00388044 72
21602 160 H 42.9516 36.1472 58.71 -0.00253976 0.00883152 -0.00855214 72
21603 161 H 43.5945 34.2154 57.278 0.00889631 -0.00670297 0.015305 72
21604 162 H 45.2214 34.8158 57.2052 0.00891727 0.023676 -0.00171767 72
21605 163 H 44.5925 36.6985 55.7641 -0.00792205 0.00356891 -0.00122368 72
21606 164 H 42.8718 36.2894 55.8852 -0.00196469 0.008763 -0.00466748 72
21607 165 H 43.3385 34.127 54.8007 0.00815691 -0.00467593 0.00426689 72
21608 166 H 45.0557 34.4791 54.8612 0.00307908 0.000824701 0.00185617 72
21609 167 H 44.7904 36.2442 53.2171 -0.00612297 0.0116493 -0.00951126 72
21610 168 H 42.9807 36.0733 53.3123 0.000598647 -0.00271892 0.00788604 72
21611 169 H 43.0768 33.9175 52.2715 -0.00282168 0.00492917 -0.0129789 72
21612 170 H 44.8811 33.799 52.5816 -0.00296076 -0.00106392 -2.71877e-05 72
21613 171 H 44.408 34.1307 50.1669 0.0102519 -4.34653e-05 0.00253899 72
21614 172 H 45.3493 35.4114 50.9093 0.00639832 -0.0100769 -0.000445711 72
21615 173 H 43.4486 36.9442 50.9153 -0.0176634 0.00404715 -0.0111339 72
21616 174 H 42.3032 35.6659 50.4427 -0.00255611 0.00340642 0.00248695 72
21617 175 H 43.3491 35.512 48.2058 -0.00323209 0.00328036 -0.00488219 72
21618 176 H 44.6454 36.5875 48.6437 -8.90911e-05 0.00232816 -0.00464293 72
21619 177 H 42.996 37.1958 48.4563 0.0170357 0.0120047 0.004321 72
21620 178 H 42.1615 32.6601 61.6062 0.00380324 0.00825483 -0.00541536 72
21621 179 H 40.6491 32.9987 62.496 -0.01064 0.00231075 -0.0096628 72
21622 180 H 40.3981 35.1492 61.3241 0.00369478 -0.00327925 0.00431487 72
21623 181 H 41.9788 34.9103 60.4884 0.00314918 -0.0119108 -0.00671346 72
21624 182 H 39.42 33.3249 60.0849 -0.00454083 0.000893627 0.00214048 72
21625 183 H 40.053 34.5978 59.03 -0.00100049 0.0034363 0.00350964 72
21626 184 H 42.2039 33.1146 58.811 -0.00679295 0.0129214 0.00473924 72
21627 185 H 41.3135 31.843 59.5918 -0.00115806 0.000434353 -0.00348523 72
21628 186 H 41.3301 31.6369 57.0777 0.0153004 -0.00094583 0.0103222 72
21629 187 H 39.6516 31.9766 57.5771 -0.000181967 -0.00422834 -0.000193533 72
21630 188 H 39.6645 34.2121 56.7696 0.000990195 -0.00368882 -0.00522568 72
21631 189 H 41.371 34.3217 56.9422 0.00811054 -0.00441554 -0.00137976 72
21632 190 H 40.9536 34.3491 54.6744 -0.00400147 -0.00113936 -0.00478041 72
21633 191 H 41.7665 32.754 55.0818 0.00296318 0.00680823 -0.0131073 72
21634 192 H 39.6268 31.5744 54.8613 -0.0206414 -0.00468959 -0.0155663 72
21635 193 H 38.8287 33.0799 54.3896 -0.00546887 -0.0111889 0.0100124 72
21636 194 H 41.2452 31.8543 52.9693 -0.00928459 -0.0213325 0.0016497 72
21637 195 H 39.572 31.5235 52.5281 0.00167777 -0.00646134 0.00408732 72
21638 196 H 39.2291 33.848 51.8292 -0.000826989 -0.0109594 -0.00124219 72
21639 197 H 40.8177 34.2986 52.2971 0.00593779 -0.00460351 -0.00694666 72
21640 198 H 40.8972 33.9617 49.9481 0.00691333 0.00273067 -0.00492186 72
21641 199 H 41.735 32.5494 50.6115 -0.00620482 -0.00683798 -0.00249604 72
21642 200 H 40.2405 31.9386 48.7542 0.00131356 0.00667625 0.00354992 72
21643 201 H 39.6644 31.1468 50.2251 -0.00169734 -0.0106841 -0.00918867 72
21644 202 H 38.8671 32.6515 49.5212 -0.00702934 -0.0185966 -0.00847562 72
21645 203 H 43.5836 40.3826 63.3174 -0.0221044 0.0019134 0.000355653 72
21646 204 H 44.2726 38.7245 63.1385 0.0018575 0.00199095 0.00299447 72
21647 205 H 43.5196 38.4833 60.9934 0.00113564 -0.00221985 0.00228828 72
21648 206 H 42.1424 39.6126 61.2484 -0.000145536 -0.0108313 -5.36731e-05 72
21649 207 H 43.3582 41.5013 60.6123 0.00383922 -0.000860031 -0.00531381 72
21650 208 H 44.832 40.9502 61.342 0.00456784 -5.53128e-05 0.00108669 72
21651 209 H 45.3354 40.9222 59.0691 -0.0055809 0.0162579 0.0102315 72
21652 210 H 44.8851 39.2174 59.3536 0.00450405 0.00566529 0.00647991 72
21653 211 H 42.6278 39.7601 58.3546 -0.00629735 0.0197378 0.00587723 72
21654 212 H 43.2398 41.4313 58.0757 -0.00894058 -0.00302486 -0.0120029 72
21655 213 H 45.1413 40.3743 56.7024 0.000828899 -0.00216744 0.00693354 72
21656 214 H 44.3648 38.7854 56.9924 -0.000871618 -0.000117458 -0.00418972 72
21657 215 H 42.3293 39.5178 55.6971 0.0059559 -0.00380419 -0.0173478 72
21658 216 H 43.0219 41.1499 55.5111 -0.0022211 -0.00113018 -0.00381148 72
21659 217 H 44.9723 39.9569 54.3914 0.00266453 -0.00810743 0.0175422 72
21660 218 H 44.07 38.4528 54.4147 0.000325307 -0.00357839 0.00192303 72
21661 219 H 42.3377 39.3344 52.9054 0.0104492 -0.0127781 -0.0052073 72
21662 220 H 42.9866 40.9607 53.0074 0.0136383 0.00598046 0.0103704 72
21663 221 H 45.0996 40.2882 51.9735 -2.55447e-05 -0.00385675 -0.0137336 72
21664 222 H 44.5948 38.5758 51.9573 -0.0137426 -0.00648798 0.0190299 72
21665 223 H 42.7489 39.0987 50.3671 -0.00756238 0.0115388 -0.00701535 72
21666 224 H 43.1627 40.7819 50.4668 0.00230572 0.0048442 -0.00412753 72
21667 225 H 45.1853 38.6759 49.4123 -4.43573e-05 0.0057595 -0.00351371 72
21668 226 H 44.0695 39.686 48.3451 0.00428348 0.00996308 -0.00287882 72
21669 227 H 45.3599 40.3746 49.3429 -0.00150085 0.00235679 -0.00656036 72
21670 228 H 40.5907 39.4139 81.4114 0.00784602 0.00779936 -0.00428841 72
21671 229 H 41.0858 37.7537 81.7397 -0.00537696 0.00404446 -0.00411105 72
21672 230 H 42.0157 38.574 83.9201 0.00119646 0.0113871 0.00209584 72
21673 231 H 41.5294 40.2678 83.456 -2.72364e-05 0.0018205 0.00286799 72
21674 232 H 39.1268 39.5862 83.3907 -0.00678811 -0.00456551 0.00317906 72
21675 233 H 39.6281 37.9517 83.8434 -0.0234371 0.000484133 -0.00288414 72
21676 234 H 39.9317 40.4198 85.676 -0.00205342 -0.00187354 -0.0026339 72
21677 235 H 38.6048 39.2704 85.6856 -0.00589046 0.00611158 -0.024031 72
21678 236 H 40.2131 37.5031 86.4173 0.0175549 -0.00524607 -0.00115727 72
21679 237 H 41.5508 38.6487 86.2515 0.00330995 -0.00121548 0.0172496 72
21680 238 H 40.5368 40.1618 87.9614 0.00379776 -0.00179474 0.00936162 72
21681 239 H 39.0355 39.2523 87.9367 0.000907449 0.00423958 -0.0114284 72
21682 240 H 40.2344 37.3212 89.1248 0.00503736 -0.00254113 -0.00160093 72
21683 241 H 41.7238 38.3036 89.11 0.00436507 -0.0111887 0.00116663 72
21684 242 H 40.1838 40.0814 90.4299 0.00372549 0.000916356 0.00175471 72
21685 243 H 39.0043 38.8091 90.4223 -0.00246442 0.0132443 -0.0259862 72
21686 244 H 40.6969 37.4033 91.7205 0.00992535 0.00178799 -0.015967 72
21687 245 H 41.666 38.9265 91.9141 0.00403293 -0.00772288 -0.00725859 72
21688 246 H 39.7285 40.0256 92.9988 0.00856885 0.00167244 0.0093843 72
21689 247 H 38.8122 38.5132 92.9382 -0.00488496 0.00589695 0.000930013 72
21690 248 H 40.7238 37.4953 94.3219 -0.0050721 0.00416848 -0.00937555 72
21691 249 H 41.4063 39.116 94.4694 -0.00264645 0.00883104 -0.00465153 72
21692 250 H 39.254 39.9113 95.5857 0.015474 0.00138472 0.00514644 72
21693 251 H 38.524 38.308 95.4215 0.0021803 -0.00416208 -0.00250494 72
21694 252 H 39.987 38.5537 96.4521 -0.0112622 -0.00357058 0.00176005 72
21695 253 H 48.4409 41.3035 82.4902 0.00259863 0.00719685 0.000223288 72
21696 254 H 48.4594 42.6548 81.3973 -0.00481973 0.0106684 0.00231374 72
21697 255 H 48.0963 43.9015 83.2965 0.0128884 -0.00700871 0.00645122 72
21698 256 H 46.3803 43.4692 82.8895 -0.000717322 -0.00838362 0.00754773 72
21699 257 H 46.0683 43.1147 84.9115 0.00137193 0.00695468 0.00754162 72
21700 258 H 46.8804 41.5341 84.6531 -0.0161759 -0.00138954 0.00158136 72
21701 259 H 48.734 42.2061 85.9106 -0.00323567 -0.000460677 -0.00550113 72
21702 260 H 48.4468 43.9471 85.5359 0.00509581 -0.00374527 -0.00606835 72
21703 261 H 47.1363 44.3343 87.2652 0.0132271 0.000216046 0.00926658 72
21704 262 H 46.3501 42.7898 87.2126 0.00261278 -0.00504167 -0.00666312 72
21705 263 H 48.0622 41.7433 88.5093 0.00355795 -0.00259592 -0.0097526 72
21706 264 H 49.3024 42.9358 88.146 0.00171991 0.0245607 0.00772643 72
21707 265 H 48.1904 44.4979 89.8279 0.00528362 -0.00502859 0.00575652 72
21708 266 H 46.7103 43.5029 89.7632 -0.00385034 0.00106586 -0.00358514 72
21709 267 H 47.6063 41.7899 91.0091 -0.00282566 0.0036983 0.00150922 72
21710 268 H 49.2744 42.3193 90.8452 -0.00519101 -0.0093779 0.0057271 72
21711 269 H 49.0451 44.1058 92.3054 -0.00599035 0.0037451 -0.0232934 72
21712 270 H 47.2977 44.0691 92.4023 0.0081057 0.0131856 0.0037964 72
21713 271 H 47.3793 41.7539 93.2995 0.00154648 0.00236235 -0.0132373 72
21714 272 H 49.1083 41.8508 93.5038 -0.000796803 0.000950677 0.00108417 72
21715 273 H 47.0307 43.7045 94.8211 -0.00501647 -0.0123438 -4.50567e-05 72
21716 274 H 47.8257 42.3248 95.6063 -0.0113831 0.00697542 0.00230199 72
21717 275 H 49.9741 43.6952 95.4622 0.00438062 0.0074133 -0.00315477 72
21718 276 H 49.1325 44.9379 94.5725 0.00303377 0.00435339 0.00968366 72
21719 277 H 48.6993 44.5472 96.3077 0.00965916 -0.00810815 0.00976937 72
21720 278 H 45.9009 36.529 83.7533 0.00282563 0.020142 -0.0112463 72
21721 279 H 45.7872 35.3381 82.4328 -0.00971443 0.0033604 -0.000696114 72
21722 280 H 48.5601 35.9386 83.2908 0.000125947 0.00339185 0.0037359 72
21723 281 H 47.812 34.4239 82.9654 0.000261515 -0.00434827 0.0046491 72
21724 282 H 46.501 34.6175 85.2288 0.00125108 0.00152642 -0.000233219 72
21725 283 H 47.5683 35.9809 85.6388 0.0153083 0.00118817 -0.00232381 72
21726 284 H 49.4563 34.6798 85.8703 0.00618061 -0.0146224 0.0196244 72
21727 285 H 48.7165 33.2741 84.9041 -0.00119592 -0.0091213 0.00863882 72
21728 286 H 48.9327 32.592 87.0886 -0.0097991 -0.00976619 -0.0065984 72
21729 287 H 47.1598 33.0237 86.9633 0.00323947 -0.0125172 -0.00880332 72
21730 288 H 47.545 35.059 88.0585 -0.000634803 0.00162712 0.00410133 72
21731 289 H 49.3047 34.8254 88.1088 0.00886177 -0.0106502 -0.00233406 72
21732 290 H 48.996 32.7713 89.5423 0.00870591 0.00603859 0.000871428 72
21733 291 H 47.2339 33.0323 89.5227 0.00652949 -0.00446859 -0.00756176 72
21734 292 H 47.4915 35.0995 90.9126 0.00424903 0.00245234 -0.00576041 72
21735 293 H 49.2628 35.0819 90.5363 0.00513198 0.00587542 0.000393831 72
21736 294 H 49.6516 33.3049 92.019 0.00286348 0.00879328 -0.00727871 72
21737 295 H 47.9213 32.9351 92.2441 -0.00529326 0.00304889 -0.0041217 72
21738 296 H 47.5392 35.0066 93.4646 -0.00109589 -0.00886408 0.00146119 72
21739 297 H 49.0634 35.6632 92.991 -0.012566 -0.00131519 -0.00664631 72
21740 298 H 50.255 33.882 94.4027 0.0025304 -0.0130764 0.00301719 72
21741 299 H 48.7104 33.151 94.7735 -0.00185492 0.00545588 0.0123256 72
21742 300 H 47.9195 35.3048 95.8482 0.000688682 -0.0131136 -0.00388416 72
21743 301 H 49.6226 35.9147 95.7918 -0.00540284 0.00402662 0.000354084 72
21744 302 H 49.2817 34.4605 96.722 0.00313414 -0.00388662 -0.00169199 72
ITEM: TIMESTEP
109000
ITEM: NUMBER OF ATOMS
21744
ITEM: BOX BOUNDS pp pp pp
0.0000000000000000e+00 4.7073061717199998e+01
0.0000000000000000e+00 4.0766467281007898e+01
0.0000000000000000e+00 9.6958885940000002e+01
ITEM: ATOMS id type element xu yu zu vx vy vz mol
1 1 C 1.61603 6.90417 31.5383 0.00144065 -0.00156556 -0.00258473 1
2 2 C 1.77147 6.7754 30.1508 -0.00099767 0.0025218 0.000602377 1
3 3 C 1.3355 5.63218 29.5277 0.00146217 0.00487392 -0.00197077 1
4 4 C 0.708455 4.61238 30.2528 0.00199853 -0.00318951 -1.84016e-05 1
5 5 C 0.525358 4.69394 31.6564 0.00409899 -0.000934781 0.000606278 1
6 6 C 0.977579 5.86932 32.3125 0.00193628 0.00416704 -0.00236197 1
7 7 C -3.87071 3.35606 30.9949 0.00279062 -0.0021137 0.000275333 1
8 8 C -3.63716 3.26689 29.6277 0.00515883 0.00378857 0.00258832 1
9 9 C -2.33958 3.19711 29.1063 -0.000839484 -0.00323684 0.00324795 1
10 10 C -1.26818 3.27748 30.0018 -0.00291475 -6.37938e-05 -0.00199917 1
11 11 C -1.48034 3.2863 31.4079 0.00147394 -0.00195887 -0.00183867 1
12 12 C -2.789 3.42411 31.8888 -0.00744468 -0.00150998 0.00176239 1
13 13 C 1.77643 0.0185252 31.8413 0.00108753 -8.20339e-06 -0.000237429 1
14 14 C 2.02858 0.084129 30.4921 -0.00117252 0.00265569 0.00471021 1
15 15 C 1.52728 1.07883 29.6974 -0.00218977 0.00523551 6.87619e-05 1
16 16 C 0.839164 2.1491 30.3364 -0.00366999 -0.00547579 0.000944931 1
17 17 C 0.201889 3.30676 29.5859 -0.000921223 -0.00508797 -0.000663338 1
18 18 O 0.918886 0.895892 33.9012 0.00281737 -0.000443958 -0.00347236 1
19 19 O -3.04826 3.52992 33.2229 0.000598839 -0.000829385 -0.00126793 1
20 20 O 0.888486 6.0092 33.7073 -0.00486585 0.00292177 0.00171985 1
21 21 C 1.10669 1.03645 32.5326 -0.000618409 -0.00301852 -0.00024143 1
22 22 C 0.478464 3.25509 28.1421 -0.0015977 -0.00413603 0.001048 1
23 23 C 0.889741 3.28437 27.0067 0.000126236 0.00378809 0.000554986 1
24 24 C 1.6114 3.39548 25.7565 0.000192594 0.00181578 -0.00447177 1
25 25 C 2.21179 4.60163 25.3156 0.00179578 0.00170737 3.55617e-05 1
26 26 C 3.01488 4.59905 24.1844 -0.00409025 0.00125438 0.00461449 1
27 27 C 3.32488 3.40551 23.5293 -0.0046461 0.00120213 0.000584095 1
28 28 C 2.70406 2.23779 23.936 9.99906e-05 -0.00265301 -0.00322766 1
29 29 C 1.84648 2.2198 25.0352 -0.000464497 0.00223894 -0.00182512 1
30 30 C 4.12923 3.4164 22.3481 0.00232362 0.00321348 0.00125967 1
31 31 C 4.702 3.42744 21.2688 -0.00287295 -0.00103089 0.000673659 1
32 32 C 3.39689 -0.025012 19.0912 -3.91985e-05 -0.00225152 0.000944726 1
33 33 C 3.51933 -0.00333835 17.7066 0.000781971 0.000245984 0.00241167 1
34 34 C 4.13119 1.0588 17.038 -0.00168613 -0.00225662 -0.00120346 1
35 35 C 4.64393 2.15183 17.7579 0.000151948 0.00148506 0.00332583 1
36 36 C 4.52453 2.1447 19.1705 0.00142831 -0.00101682 0.000478705 1
37 37 C 3.93503 1.0181 19.8314 0.000291535 -0.00211862 -0.0013969 1
38 38 C 5.04733 3.43828 19.8317 -0.000188648 0.00155841 0.00138534 1
39 39 C 8.95753 3.70596 19.6623 -0.00265513 0.00250146 0.00388646 1
40 40 C 9.13404 3.59841 18.2456 0.00203768 0.00542071 -0.0017028 1
41 41 C 7.98792 3.49044 17.4017 -0.0051278 8.07368e-05 0.00252561 1
42 42 C 6.74033 3.46557 17.9645 -0.00301578 -0.000273466 -0.000463377 1
43 43 C 6.54649 3.55758 19.3793 -0.0016037 0.00457622 0.00138159 1
44 44 C 7.66762 3.6604 20.2315 0.000233641 0.00130399 0.00269216 1
45 45 C 3.21692 6.69939 18.7164 0.00246862 -0.00381362 0.00136566 1
46 46 C 3.49921 6.63079 17.3365 -0.00181135 0.00279501 -0.00465427 1
47 47 C 4.24224 5.56099 16.812 0.000238075 -0.0032693 0.00419067 1
48 48 C 4.64218 4.55034 17.6563 0.00258311 -0.000605263 0.00175698 1
49 49 C 5.43467 3.35281 17.1764 0.000882638 0.000242992 -0.00530278 1
50 50 C 4.42078 4.60503 19.045 -0.00302905 -0.000973634 -0.00393732 1
51 51 C 3.70712 5.72055 19.5474 0.00408942 -0.000393851 0.000809831 1
52 52 O 8.08046 3.43885 16.0076 -0.00072416 -0.000819258 0.00159147 1
53 53 O 4.01271 1.08058 15.6446 0.000160071 0.00479479 0.000175812 1
54 54 O 4.45108 5.43125 15.4384 0.000172368 0.00188337 -0.000659093 1
55 55 C -0.167498 3.39637 32.2364 0.00235867 -0.00466119 -0.00236194 1
56 56 C 0.66065 2.1539 31.77 0.000845387 -0.00145569 -0.00249932 1
57 57 C 9.34372 3.55501 15.333 0.00205919 0.00196432 -0.0011462 1
58 58 C 9.20722 2.83607 13.9492 0.00238021 0.00107294 -0.00126298 1
59 59 C 8.31888 3.53466 12.9092 0.00552682 0.00261322 -1.37813e-05 1
60 60 C 8.248 2.69052 11.6213 -0.00326314 0.00274238 0.00126748 1
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1003 97 C 5.89506 10.9395 36.7665 -0.0013575 -0.00670029 0.00413554 4
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1006 100 C 5.84449 9.81388 40.5552 0.00606949 -0.00475632 3.46857e-05 4
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1016 110 C 13.153 14.9799 38.2843 -0.00247488 0.00115717 0.000112922 4
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1020 114 C 14.0294 14.8873 43.0435 -7.39904e-05 0.00223002 0.00630673 4
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1025 119 C 13.3987 6.99009 35.9625 -0.000417237 -0.00479955 -0.00174262 4
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1212 4 C 16.4191 4.40158 29.9863 -0.00262424 -0.00316027 -0.000401122 5
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1214 6 C 16.7917 5.76199 31.9202 -0.000470656 -0.00205889 0.000999756 5
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1222 14 C 17.4317 -0.214186 30.44 0.00205003 -0.00247925 -0.000856293 5
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1225 17 C 15.777 3.08738 29.3962 0.000207511 -0.00413286 0.000246689 5
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1245 37 C 19.5466 1.23596 19.94 -0.00328811 0.000538009 0.00368494 5
1246 38 C 20.6982 3.66313 19.9251 -0.00217068 -0.00449348 0.00224474 5
1247 39 C 24.6007 3.67126 19.7651 -0.00123128 -0.00135797 0.00265762 5
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1252 44 C 23.2862 3.68376 20.3472 0.0015684 0.000436297 0.00217217 5
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1258 50 C 20.0156 4.80146 19.1126 0.00208232 0.00028275 0.000407616 5
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1460 252 H 10.6129 2.78856 46.9012 0.00196577 0.0032038 0.00972261 5
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1463 255 H 16.214 7.63902 35.6414 0.000381452 -0.00305788 0.00199009 5
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1512 2 C 21.6084 13.3301 30.0049 0.00103934 0.00120344 -0.00248473 6
1513 3 C 21.0684 12.2411 29.3773 -0.00114389 -0.000410363 0.000801546 6
1514 4 C 20.352 11.2642 30.0929 -0.00254033 -0.000141764 0.00180082 6
1515 5 C 20.1879 11.3543 31.4826 -0.00115406 0.000755773 0.00307993 6
1516 6 C 20.6962 12.5222 32.1316 -0.0069921 -0.00203262 0.00160642 6
1517 7 C 15.647 10.2767 30.8277 -0.00104718 0.00289939 0.00171568 6
1518 8 C 15.8211 10.1636 29.4587 0.00122687 -0.00488939 -0.000700016 6
1519 9 C 17.1306 10.0958 28.9989 0.00160046 -0.000789526 -0.00146094 6
1520 10 C 18.2287 10.1129 29.8919 -0.00239203 -0.00154131 -0.00293605 6
1521 11 C 18.0447 10.1737 31.2914 -0.00296278 -0.00185154 0.00104709 6
1522 12 C 16.7086 10.3207 31.7752 0.00106814 -0.000763252 0.0022596 6
1523 13 C 21.3338 6.74975 31.7672 0.00241185 0.000267718 -0.00299126 6
1524 14 C 21.4565 6.79152 30.3749 -0.00330932 -0.000168914 -0.00176976 6
1525 15 C 20.9518 7.79246 29.5861 0.00146501 0.00341238 -0.000976673 6
1526 16 C 20.3245 8.87221 30.2312 0.00331101 -0.00162416 -0.00149251 6
1527 17 C 19.6993 10.0606 29.449 -0.00180886 -0.00354823 0.000718982 6
1528 18 O 20.6854 7.93596 33.7876 -0.00042678 0.00125561 0.000968894 6
1529 19 O 16.4477 10.419 33.1411 0.00573601 -0.00488683 0.00286775 6
1530 20 O 20.4827 12.8027 33.4136 0.00213473 -0.00363891 0.000506299 6
1531 21 C 20.7056 7.85173 32.4003 0.0033804 -0.00331043 -0.00310321 6
1532 22 C 19.9985 9.94716 28.024 0.00136322 -0.00130742 0.00471259 6
1533 23 C 20.5032 9.95687 26.9403 -0.00065963 0.00371845 -0.00384836 6
1534 24 C 21.3895 10.0076 25.8444 0.000290457 0.00188032 -0.00332083 6
1535 25 C 21.8103 11.2673 25.3914 0.000874573 -0.00105418 0.000683125 6
1536 26 C 22.8505 11.3772 24.4379 1.11426e-05 0.00534325 0.000960829 6
1537 27 C 23.4533 10.1844 23.9464 0.00354104 -0.00545497 -0.00350901 6
1538 28 C 23.0738 8.95872 24.4213 0.00285464 -0.00312068 0.00158442 6
1539 29 C 22.0359 8.8588 25.349 0.000194842 0.00334226 0.000168428 6
1540 30 C 24.2799 10.228 22.7768 0.00297833 -0.00438795 -0.00398321 6
1541 31 C 24.6849 10.2296 21.6177 0.00534219 -0.00215175 0.00204472 6
1542 32 C 22.6538 7.05572 19.4932 -0.00269133 -0.00117295 0.0020332 6
1543 33 C 22.6444 7.11338 18.0917 -0.000524281 0.000449819 0.000782642 6
1544 34 C 23.3503 8.11088 17.3891 0.00069009 0.00125486 -0.000189302 6
1545 35 C 23.9775 9.13569 18.1261 0.00080605 -0.000829267 -0.00109595 6
1546 36 C 23.9711 9.11363 19.5298 -0.000569794 0.000600548 -0.00294097 6
1547 37 C 23.2766 8.09861 20.2216 -0.00179795 0.000658313 0.00220499 6
1548 38 C 24.7893 10.2345 20.1672 -2.7855e-05 0.00110314 0.000673554 6
1549 39 C 28.605 10.0637 19.6705 -0.00120007 0.000481792 0.00154114 6
1550 40 C 28.6243 10.0601 18.2428 -0.00226126 0.00417793 0.000429733 6
1551 41 C 27.4274 10.1424 17.5103 0.000696893 -0.00675212 0.00155748 6
1552 42 C 26.2327 10.1883 18.1984 0.00282284 -0.00319458 -0.000408877 6
1553 43 C 26.2274 10.1794 19.5964 -0.000847443 0.000438109 -0.0051043 6
1554 44 C 27.3951 10.1497 20.3569 0.00360368 -0.00381087 0.00272149 6
1555 45 C 22.8933 13.5483 19.5546 0.00334166 -0.00269657 -0.00119441 6
1556 46 C 23.103 13.6357 18.1886 6.96619e-05 -0.00173053 0.0036604 6
1557 47 C 23.7522 12.6304 17.4685 -7.28522e-05 -0.00369951 0.00290238 6
1558 48 C 24.2256 11.5415 18.1983 0.00335543 -0.00275468 0.00184457 6
1559 49 C 24.8196 10.2796 17.5574 -0.00269228 0.000695702 -0.00024622 6
1560 50 C 24.1253 11.4815 19.588 -0.000490803 -0.00117959 -0.00501941 6
1561 51 C 23.4746 12.5094 20.2986 -0.00107748 0.000299048 0.00259412 6
1562 52 O 27.4715 10.3039 16.1651 1.82786e-05 0.000634613 -0.00344818 6
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1565 55 C 19.3807 10.1608 32.0957 -0.000134994 0.000572316 -0.000994647 6
1566 56 C 20.1562 8.9204 31.6256 -0.000252431 -0.00827918 -0.00195396 6
1567 57 C 27.7404 9.23735 15.2926 -0.00133463 0.00237412 -0.00124251 6
1568 58 C 26.4414 8.97108 14.5214 -0.00233013 0.000692705 -0.00394568 6
1569 59 C 26.1834 9.89478 13.3383 -0.00475986 -0.00157936 -0.000819881 6
1570 60 C 26.8866 9.3628 12.0746 0.00346741 -0.00579166 -0.000691666 6
1571 61 C 26.4967 10.18 10.8206 -0.000358174 0.00402089 -6.80096e-05 6
1572 62 C 26.8404 9.41943 9.5023 0.00115419 0.000350044 -0.00520234 6
1573 63 C 26.568 10.3086 8.32252 0.000584212 0.0027934 -0.000816078 6
1574 64 C 26.6416 9.57164 6.98869 -0.000684285 -0.00300498 0.000355356 6
1575 65 C 26.143 10.4817 5.86905 0.00304289 -0.000782339 0.00090978 6
1576 66 C 26.4186 9.98252 4.46328 -0.00079421 0.00158554 0.00199212 6
1577 67 C 25.6453 10.814 3.41299 0.000435804 0.00209582 0.000224367 6
1578 68 C 26.1005 10.6068 1.98462 0.00143461 0.00366114 0.00419188 6
1579 69 F 23.3197 12.6077 24.0551 0.000974008 0.00121879 0.00322669 6
1580 70 C 23.3224 7.05025 15.1291 0.00131599 -0.000830449 0.0044865 6
1581 71 C 23.0582 7.64832 13.7523 -0.00125823 -0.0060653 -0.00388239 6
1582 72 C 23.7654 6.84906 12.6188 0.00130301 0.000917677 -0.00298108 6
1583 73 C 23.6219 7.63235 11.2897 0.00705592 0.00257908 0.00144624 6
1584 74 C 22.157 7.85954 10.8281 -0.00316476 -0.000331865 -0.00447059 6
1585 75 C 21.9369 7.34622 9.39141 0.00165588 -0.000972194 0.000373103 6
1586 76 C 22.5184 8.18934 8.28554 0.00246306 -0.00382941 0.00113251 6
1587 77 C 22.3482 7.47338 6.95255 3.37699e-05 0.00271398 0.00261753 6
1588 78 C 22.8979 8.26616 5.75172 -0.00125426 4.01942e-05 0.00299975 6
1589 79 C 22.6607 7.42203 4.50095 0.00292321 -0.00377317 6.78114e-05 6
1590 80 C 23.1664 8.19747 3.25881 0.00218191 -0.00317986 0.00179929 6
1591 81 C 22.7267 7.48428 1.95598 -0.00373142 0.00268162 0.00159041 6
1592 82 C 25.3028 13.3779 15.8281 -0.000479367 0.00469549 -0.00421548 6
1593 83 C 25.3296 14.2922 14.6106 -0.000966025 0.004771 0.00354131 6
1594 84 C 25.6278 13.59 13.2884 -0.00384377 0.00368205 -0.000752536 6
1595 85 C 25.363 14.5204 12.1062 -2.59224e-05 -0.00275979 -0.000423644 6
1596 86 C 26.3263 14.2149 10.9231 -0.000833763 -0.00132936 -0.00181832 6
1597 87 C 25.9435 14.8406 9.58589 0.00272527 -0.00172993 -0.00297351 6
1598 88 C 26.7605 14.3035 8.37572 0.000876317 -0.00353068 0.00687701 6
1599 89 C 26.3185 14.9831 7.02905 -0.00417766 -0.000123576 0.00312908 6
1600 90 C 27.0944 14.4627 5.83107 0.00140691 0.000409751 0.00315394 6
1601 91 C 26.4375 14.7928 4.49452 -0.00308042 -0.0019825 -6.31887e-05 6
1602 92 C 27.2476 14.4306 3.27869 -0.00412008 0.000900718 0.0032441 6
1603 93 C 26.4482 14.5702 1.96222 -0.00212878 0.00392232 0.00365154 6
1604 94 C 15.136 10.8045 33.6318 -0.000112442 0.000618508 -0.00113295 6
1605 95 C 14.9644 10.3877 35.0897 0.0020763 0.00181614 -0.000445421 6
1606 96 C 13.568 10.6585 35.7067 -0.00188758 0.00238659 0.0035576 6
1607 97 C 13.5659 11.2201 37.1504 -0.00170544 0.00438267 -0.00344623 6
1608 98 C 13.8159 10.1333 38.2091 0.0033385 -0.0016166 0.00176288 6
1609 99 C 13.8104 10.7445 39.6004 0.0016552 -0.00092202 -3.18746e-05 6
1610 100 C 13.8283 9.76554 40.7644 0.00251563 0.00207825 -0.000957819 6
1611 101 C 13.9911 10.5239 42.0583 -0.000482958 0.00189095 0.00409647 6
1612 102 C 13.9843 9.62016 43.2922 7.50505e-05 0.00115435 0.00500546 6
1613 103 C 14.1936 10.4171 44.6103 -6.48233e-06 -0.00166333 -0.00122786 6
1614 104 C 13.9614 9.56933 45.8619 -0.000189801 -0.00108585 0.00159495 6
1615 105 C 14.8908 9.94529 47.066 0.00448448 0.00278075 0.00194246 6
1616 106 C 21.2944 13.7145 34.1686 0.000700562 -0.0018925 0.00271131 6
1617 107 C 20.7319 13.7681 35.621 -0.00106272 0.000719293 5.35533e-05 6
1618 108 C 21.7583 14.3322 36.5943 0.00259792 0.000471627 0.000428012 6
1619 109 C 21.3904 13.9945 38.0183 -0.00154577 -0.0020303 -0.00180293 6
1620 110 C 22.23 14.7481 39.0602 -0.000207922 0.00094233 0.00469901 6
1621 111 C 22.7948 13.8382 40.1337 -0.00134148 0.000479583 -0.00068498 6
1622 112 C 21.8601 13.5532 41.3243 0.00104014 -0.00425141 0.00324147 6
1623 113 C 21.9318 14.7036 42.3293 0.00395369 0.00313714 0.000713734 6
1624 114 C 21.2947 14.2966 43.6691 0.00390019 -0.00133098 0.000201592 6
1625 115 C 21.5084 15.3102 44.7916 -0.00325467 0.00317578 -0.00190148 6
1626 116 C 20.7832 14.9446 46.0798 0.00154363 0.00414389 -0.00249278 6
1627 117 C 21.1046 15.8837 47.2473 0.00371023 -0.000304482 0.00287369 6
1628 118 C 20.5888 6.75938 34.6298 -0.0028123 0.00101161 0.00091294 6
1629 119 C 21.941 6.06325 34.8816 0.00163704 -0.00292658 -0.00323529 6
1630 120 C 22.1639 5.58984 36.3196 0.000294275 0.00132981 -0.00170113 6
1631 121 C 22.2781 6.70852 37.3705 0.00249909 0.00147927 0.000730061 6
1632 122 C 22.5795 6.24184 38.8069 0.00609065 -0.00208468 0.000492342 6
1633 123 C 21.4301 5.41011 39.4344 -0.002799 -0.00106033 -0.00239012 6
1634 124 C 21.2528 5.87187 40.8764 -0.00467624 -0.00160338 -6.81277e-05 6
1635 125 C 22.2537 5.30548 41.8935 -0.00226123 0.0016124 -0.000492683 6
1636 126 C 21.7811 5.68052 43.3301 -0.00194042 -0.0019936 0.00440322 6
1637 127 C 22.5495 5.00215 44.4745 -0.00182847 -0.000404461 0.000218286 6
1638 128 C 21.9831 5.41138 45.8353 -0.000582347 0.00141867 0.000346314 6
1639 129 C 22.7324 4.8417 47.0502 0.00149597 0.0050337 0.00457374 6
1640 130 F 21.1771 12.4011 25.7631 0.00154297 0.000458545 0.000550397 6
1641 131 H 21.759 14.4279 31.7873 0.0109995 -0.00253093 0.000896208 6
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1643 133 H 21.1815 12.1641 28.2999 0.00193156 -0.00241633 0.00126804 6
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1645 135 H 14.9611 10.1714 28.7955 -0.000739295 0.00728746 0.00197492 6
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1648 138 H 21.9643 5.9772 29.8666 0.00244475 0.0045344 -0.00355649 6
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1650 140 H 23.6028 8.076 24.0743 -0.0014487 -0.0088516 0.0096101 6
1651 141 H 21.7416 7.87535 25.7034 0.001212 0.00384208 0.00239653 6
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1653 143 H 22.1246 6.36383 17.5023 0.0124645 -0.000519642 -0.00947565 6
1654 144 H 23.2539 8.07121 21.307 0.00691797 0.00363111 0.00246584 6
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1656 146 H 29.5431 9.99811 17.6672 0.00166464 -0.0001976 0.00718672 6
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1730 220 H 27.3107 13.3892 5.89531 0.00365627 0.00114224 0.00784868 6
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1749 239 H 12.936 11.397 39.7141 -0.00935573 -0.0172165 0.0086686 6
1750 240 H 12.8867 9.20273 40.7625 0.00806548 -0.00724252 0.0127075 6
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1753 243 H 13.1739 11.2364 42.225 0.00604947 0.0085388 0.00772202 6
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1756 246 H 15.1936 10.8641 44.5504 -0.00153946 0.00200468 0.000461798 6
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1758 248 H 12.8947 9.49636 46.1072 0.000699925 0.00670938 0.00771645 6
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1761 251 H 15.9386 9.96069 46.7415 0.00711977 -0.0105243 0.0098324 6
1762 252 H 14.6393 10.9409 47.4519 0.00549425 0.00361881 0.000438782 6
1763 253 H 22.3671 13.4898 34.1226 0.00147281 0.000669904 0.00809176 6
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1769 259 H 20.3302 14.204 38.2065 -0.005172 -0.00267081 -0.0215087 6
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1802 292 H 23.2714 5.65185 41.675 -0.0067478 0.00208085 -0.0207193 6
1803 293 H 22.2418 4.21652 41.7615 -0.0154013 0.000493975 0.00993163 6
1804 294 H 20.7301 5.37811 43.4162 -0.00187882 -0.00274939 0.00251737 6
1805 295 H 21.8156 6.7715 43.4395 -0.00380153 -0.000563236 -0.00916775 6
1806 296 H 23.6103 5.27587 44.4182 -0.00362722 0.0084886 0.00971706 6
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1809 299 H 21.9506 6.50592 45.9011 0.000599146 0.00134881 0.0020879 6
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1814 2 C 25.3401 6.73936 29.569 -0.00358232 0.00150435 -0.00581831 7
1815 3 C 24.7753 5.69498 28.8695 0.00405011 -0.000248899 -0.000505558 7
1816 4 C 24.1262 4.66053 29.488 -0.00265622 0.00413119 -0.000416282 7
1817 5 C 24.0423 4.63945 30.9275 -0.00137072 0.0023605 0.00080078 7
1818 6 C 24.6184 5.71194 31.6493 0.00144098 -0.000588173 0.00258314 7
1819 7 C 19.5539 3.25091 30.3689 -0.00110444 -0.000191585 -0.000218268 7
1820 8 C 19.6639 3.39429 29.0154 0.00282271 9.57352e-05 0.00053175 7
1821 9 C 20.915 3.56652 28.4539 -0.000663865 0.00472774 0.00516695 7
1822 10 C 22.0654 3.46318 29.2675 0.00290427 -0.00184252 0.00191897 7
1823 11 C 21.96 3.33272 30.6883 0.00918454 -0.00191918 -0.00143399 7
1824 12 C 20.649 3.31564 31.2449 0.00295098 0.000155542 -0.000825044 7
1825 13 C 25.202 0.0193519 30.6881 0.00049163 -0.00162424 -0.00035035 7
1826 14 C 25.2707 0.0575422 29.3052 0.00270925 -0.00644997 0.000240081 7
1827 15 C 24.6744 1.14432 28.6597 -0.000936765 -0.00399374 -0.00247841 7
1828 16 C 24.1462 2.23047 29.3713 0.00479088 0.00503736 0.00264142 7
1829 17 C 23.49 3.4706 28.7535 0.00316875 0.0034983 0.00550538 7
1830 18 O 24.6045 0.935955 32.8091 -0.00308561 -0.000290667 -0.0022933 7
1831 19 O 20.4606 3.21548 32.5902 -0.00122816 -0.00262008 0.000744726 7
1832 20 O 24.6306 5.79392 33.0412 -0.00378482 0.000923956 -0.00304336 7
1833 21 C 24.6082 1.06547 31.4398 -0.000476739 0.00418919 0.000690322 7
1834 22 C 23.7227 3.49881 27.3151 -0.000708826 -0.00538992 -0.00165112 7
1835 23 C 24.2288 3.46203 26.2195 6.808e-05 0.00258581 -0.00171685 7
1836 24 C 25.0726 3.46062 25.0496 0.00200109 -0.0011277 0.00305275 7
1837 25 C 25.5151 2.27808 24.4568 0.000463407 0.000827691 -0.00192639 7
1838 26 C 26.5722 2.32089 23.5337 -0.00345941 -0.00140481 0.00303748 7
1839 27 C 27.1237 3.53405 23.1659 0.00115239 -0.000280676 0.00181301 7
1840 28 C 26.6422 4.75127 23.7102 5.90053e-05 -0.00125183 -0.00240413 7
1841 29 C 25.5996 4.71815 24.648 0.000245594 9.98377e-05 0.00193618 7
1842 30 C 27.9512 3.56008 22.0248 -1.87224e-05 0.00279135 -0.0040229 7
1843 31 C 28.4721 3.58206 20.938 0.00119597 0.00555603 -0.00215692 7
1844 32 C 27.1158 0.157977 18.6835 0.00173836 -0.000436142 -0.0017525 7
1845 33 C 27.326 0.17148 17.3048 0.00107449 0.00220786 5.52676e-05 7
1846 34 C 27.877 1.30888 16.6351 -0.00325229 -0.00460151 -0.000386764 7
1847 35 C 28.2586 2.40285 17.4031 -0.00162383 0.00335989 -0.00243644 7
1848 36 C 28.1359 2.38116 18.7919 0.00115554 -0.000109794 0.00274483 7
1849 37 C 27.5471 1.25881 19.4467 -0.00131935 -0.00319834 0.000564188 7
1850 38 C 28.694 3.60719 19.5051 0.000520993 -0.00513403 3.62844e-05 7
1851 39 C 32.5495 3.56462 19.1907 0.000388029 0.000670269 -0.00226082 7
1852 40 C 32.6817 3.70223 17.7803 -0.00110966 0.00114703 0.00282621 7
1853 41 C 31.5358 3.83249 17.0283 0.00162352 0.000350635 0.0053694 7
1854 42 C 30.2736 3.74568 17.6427 0.00161765 0.000864263 0.00080051 7
1855 43 C 30.159 3.68264 19.0539 -0.0018456 0.00139902 0.00167405 7
1856 44 C 31.3262 3.60526 19.8622 -0.00202846 -0.0005834 0.0039635 7
1857 45 C 26.5232 6.7315 18.7528 0.000337174 -0.00569611 -0.00434259 7
1858 46 C 26.6271 6.72895 17.3452 -0.000921939 0.00395674 0.00162256 7
1859 47 C 27.4416 5.79526 16.6625 -0.000587757 -0.000779681 0.000124875 7
1860 48 C 28.0429 4.81875 17.4281 -0.00256317 -0.00429464 0.00174127 7
1861 49 C 28.914 3.69795 16.8725 0.000322884 0.00141898 0.00285823 7
1862 50 C 27.9528 4.79178 18.8474 -0.00140606 -0.00186917 0.00257709 7
1863 51 C 27.1896 5.77609 19.5121 -0.00114006 -0.000571143 0.00170169 7
1864 52 O 31.6173 4.12422 15.6708 -0.00488019 0.000312993 -0.00598358 7
1865 53 O 28.1311 1.29482 15.2841 -5.12116e-05 0.00182296 0.00010596 7
1866 54 O 27.5204 5.88887 15.2959 -0.00430804 0.00182588 0.000438727 7
1867 55 C 23.3139 3.37251 31.4208 0.00281909 -0.00242159 -0.00297272 7
1868 56 C 24.0613 2.17422 30.7903 -0.00114137 0.000584698 -0.00129563 7
1869 57 C 31.8827 3.1193 14.7189 -0.00299656 -0.00133515 0.00370519 7
1870 58 C 31.9122 3.74204 13.2615 -0.000478871 -0.00424878 -0.000279264 7
1871 59 C 30.5936 3.59468 12.4723 -0.00474898 -0.00335074 -0.00135428 7
1872 60 C 30.646 2.65403 11.2537 -0.0058378 0.000882096 0.000673373 7
1873 61 C 30.853 3.34356 9.87485 -0.00012475 0.000428953 -0.000469602 7
1874 62 C 30.4405 2.43 8.70684 -0.00173025 0.00475105 9.18828e-05 7
1875 63 C 30.4048 3.26673 7.41351 0.0025393 0.00273646 0.00112644 7
1876 64 C 30.2908 2.41147 6.16152 -0.00104475 0.000116333 -0.000694776 7
1877 65 C 30.4606 3.24005 4.88168 -0.000914606 -0.00176572 -0.00170381 7
1878 66 C 30.3163 2.33001 3.66735 -0.000872203 0.00218392 -0.00173065 7
1879 67 C 30.3393 3.10246 2.35317 -0.00192825 -0.000983987 0.00248181 7
1880 68 C 30.6179 2.17743 1.12438 0.00212541 0.000683069 0.000152826 7
1881 69 F 27.0681 1.15649 23.0374 0.0021397 -0.000773571 0.000550416 7
1882 70 C 28.6856 0.0931464 14.7153 -0.00346162 0.00178751 0.00364157 7
1883 71 C 29.2636 0.374155 13.3146 -0.000173697 -0.00146202 -0.00176397 7
1884 72 C 29.5847 -0.946644 12.5923 0.00258881 -0.000674487 0.00573593 7
1885 73 C 29.879 -0.802424 11.0671 0.00041116 -0.0020569 -0.00096643 7
1886 74 C 30.5404 -2.04398 10.4012 -0.00136366 0.00167986 -0.000188283 7
1887 75 C 31.1985 -1.68041 9.09146 0.00108425 -0.00475819 -0.000546171 7
1888 76 C 30.2317 -1.33654 7.96807 -0.00010078 -0.00177214 0.000153925 7
1889 77 C 31.0212 -1.13975 6.66208 -0.00326887 0.00325091 -0.00222454 7
1890 78 C 30.1959 -0.92251 5.3944 -0.00204615 -0.000905899 -0.0025902 7
1891 79 C 29.981 -2.24681 4.66644 0.00243808 -0.000503528 0.00555313 7
1892 80 C 29.1842 -1.99314 3.37387 0.00277509 -0.00296225 0.000830241 7
1893 81 C 30.0461 -1.42807 2.22133 0.000231879 -0.00210985 -0.000674653 7
1894 82 C 26.8837 4.92289 14.4958 0.000130436 0.00450452 -0.0032525 7
1895 83 C 27.295 5.25319 13.0375 0.00139404 -0.000765804 -0.00273521 7
1896 84 C 27.0207 4.10929 12.0542 -0.000807457 -0.000893598 -0.00219888 7
1897 85 C 27.4594 4.46175 10.6344 0.005375 -0.00393813 0.00102899 7
1898 86 C 26.4492 5.28852 9.83025 -0.00347468 -0.00215821 -0.000640347 7
1899 87 C 26.8254 5.32712 8.3377 0.00186556 0.00203342 0.00133324 7
1900 88 C 25.6955 5.88387 7.45999 0.00249537 -0.000814815 0.00308716 7
1901 89 C 26.1664 6.17565 6.02723 0.00251074 0.00293058 -0.00210187 7
1902 90 C 26.6783 4.90644 5.24508 -7.92374e-05 0.00294991 0.000788085 7
1903 91 C 27.2314 5.11234 3.82967 -0.00282038 -0.00332097 0.00346261 7
1904 92 C 26.2135 5.75855 2.89445 0.00166134 0.00173653 -0.00432467 7
1905 93 C 26.4616 5.44821 1.40844 0.00208424 0.00198903 -0.00237248 7
1906 94 C 19.2136 3.45598 33.1961 0.00431254 0.0011253 -0.000810589 7
1907 95 C 19.4398 3.40366 34.7339 -0.000890371 -0.000387136 -0.00276597 7
1908 96 C 18.2341 3.88392 35.5724 0.00338835 -0.00320762 7.07153e-05 7
1909 97 C 18.4783 3.8063 37.1024 0.000106756 0.00245108 0.00334968 7
1910 98 C 17.266 4.21085 37.9582 -0.000655087 -0.00119889 -0.0067651 7
1911 99 C 17.6076 4.30882 39.5042 -0.00194151 -0.00142434 0.00165848 7
1912 100 C 17.7991 2.92836 40.1886 0.00453475 -0.00413836 0.000339979 7
1913 101 C 18.6113 2.9808 41.5053 -0.00318824 -0.00290236 0.00214655 7
1914 102 C 17.7447 3.27585 42.7599 -0.00893482 -0.000564568 0.00180551 7
1915 103 C 18.5472 3.05571 44.1444 0.000920352 -0.00379266 -0.00264141 7
1916 104 C 17.6682 3.13926 45.4077 -0.00131498 -0.000829543 -0.000540788 7
1917 105 C 18.4648 2.92171 46.702 0.00155284 0.0011063 -0.00511087 7
1918 106 C 25.3054 6.88061 33.7297 0.000436318 -0.00174306 -0.00253207 7
1919 107 C 25.466 6.94984 35.2535 0.00272571 0.00206528 0.00308429 7
1920 108 C 26.3269 8.17621 35.5959 0.000774439 -0.0013954 0.000991391 7
1921 109 C 26.0751 8.79927 36.998 -0.00041964 0.0016181 -0.00133294 7
1922 110 C 25.9604 7.86605 38.2388 0.00327576 0.00438175 0.00606686 7
1923 111 C 25.8343 8.65804 39.5744 0.00285433 0.00252955 -0.00166474 7
1924 112 C 25.6095 7.75809 40.8337 0.000154592 0.0040594 0.000193256 7
1925 113 C 25.5916 8.54637 42.1919 -0.00283743 -0.000410052 -0.000693472 7
1926 114 C 25.4376 7.65743 43.4422 0.00155105 -5.87385e-05 0.00347659 7
1927 115 C 25.279 8.47593 44.7331 -0.00587051 -0.00121888 0.00170189 7
1928 116 C 25.3697 7.58564 45.9719 -0.000719509 -0.000227082 -0.00276212 7
1929 117 C 25.1947 8.3998 47.2576 0.00395063 0.00360916 0.00643378 7
1930 118 C 25.3527 -0.179683 33.4224 0.00166877 -0.00209498 0.000370256 7
1931 119 C 25.2963 -0.242654 34.9346 -0.0024455 0.00255617 -0.00265666 7
1932 120 C 26.063 -1.43713 35.5229 0.00260741 -0.00312708 0.00349998 7
1933 121 C 25.8615 -1.76001 37.0379 -0.000195362 0.00589434 -0.000453103 7
1934 122 C 25.87 -0.571693 38.054 0.000874176 -0.00124613 -0.0043677 7
1935 123 C 25.8241 -1.05335 39.5417 -0.00171352 -0.00172003 0.000212327 7
1936 124 C 25.5722 0.0787614 40.5298 0.00159613 -0.00428945 -0.00268336 7
1937 125 C 25.2564 -0.387464 41.9538 0.000741606 0.00517299 0.00565425 7
1938 126 C 26.3857 -1.11483 42.6641 0.0013396 -0.00126109 -0.00167184 7
1939 127 C 25.8185 -1.57597 44.0261 0.00303783 -0.00174908 -4.88705e-05 7
1940 128 C 25.6042 -0.477223 45.0633 0.00145686 -3.78004e-05 -0.00379343 7
1941 129 C 24.9943 -0.987361 46.3744 0.00224784 -0.00196489 0.000579584 7
1942 130 F 24.9924 1.07615 24.7976 0.000205139 -0.000751436 0.00253341 7
1943 131 H 25.7052 7.62026 31.3906 -0.017167 0.00384143 0.00510188 7
1944 132 H 25.8361 7.51418 28.992 -0.0122899 0.0103163 -0.00145037 7
1945 133 H 24.8509 5.71628 27.7863 -0.00475453 0.0059308 -0.00099958 7
1946 134 H 18.5355 3.14623 30.7314 0.001834 -0.00968039 0.00525261 7
1947 135 H 18.7604 3.3795 28.4131 0.00116222 -0.00623852 0.00317048 7
1948 136 H 20.989 3.68622 27.377 -0.00852051 -0.0107887 0.00289863 7
1949 137 H 25.6107 -0.877153 31.1449 -0.000570652 0.00449155 0.0126098 7
1950 138 H 25.6362 -0.778557 28.7163 -0.010099 -0.00712686 -0.00678867 7
1951 139 H 24.632 1.11801 27.5749 -0.0141383 -0.000403451 -0.00205394 7
1952 140 H 26.9838 5.72058 23.3594 0.00261541 -0.00128514 3.72307e-06 7
1953 141 H 25.2286 5.61105 25.1425 -0.0206926 -0.0109966 0.00634067 7
1954 142 H 26.6417 -0.68546 19.1767 0.00196482 -0.00280594 -0.00559084 7
1955 143 H 27.0382 -0.705071 16.7319 0.00274772 0.00717668 -0.00839996 7
1956 144 H 27.4462 1.21263 20.527 -0.00948054 0.000150894 -5.83393e-05 7
1957 145 H 33.4552 3.50727 19.7873 -0.00528507 0.0260511 0.008814 7
1958 146 H 33.6495 3.74243 17.2891 -0.00144685 -0.00872833 0.00135961 7
1959 147 H 31.2435 3.57591 20.9447 -0.0166775 0.00986595 0.0031582 7
1960 148 H 25.8924 7.44378 19.2764 0.0140915 -0.000114809 0.00463161 7
1961 149 H 26.0997 7.50145 16.7934 -0.01152 -0.0161056 -0.0162922 7
1962 150 H 29.0486 3.64406 15.7851 0.00403447 -0.000831681 0.00342186 7
1963 151 H 27.0458 5.7942 20.5884 0.00851391 0.00178555 0.00294579 7
1964 152 H 23.2321 3.28931 32.5116 0.00997075 0.00631073 -0.001775 7
1965 153 H 32.8374 2.61365 14.9095 -0.00872801 -0.0133144 0.000704656 7
1966 154 H 31.0775 2.37669 14.7779 0.00152649 -0.0071471 -0.0076681 7
1967 155 H 32.6972 3.25551 12.6695 -0.00274609 0.00663792 -0.0122514 7
1968 156 H 32.1809 4.80507 13.2958 0.00340996 -0.00586663 0.0192329 7
1969 157 H 30.2301 4.58977 12.1876 0.000297203 -0.00155523 -0.00151175 7
1970 158 H 29.8321 3.26373 13.1893 -0.00301906 0.00941963 0.0064103 7
1971 159 H 29.6963 2.10508 11.2403 -0.00298923 -0.0041934 0.00614971 7
1972 160 H 31.4538 1.92738 11.405 -0.00146764 0.00263827 -0.0141875 7
1973 161 H 31.9245 3.53622 9.74031 -0.00272488 0.012723 -0.00346065 7
1974 162 H 30.3197 4.30035 9.8154 0.00228812 0.00224501 0.00710018 7
1975 163 H 29.4788 1.92618 8.86408 0.00409851 -0.00523003 0.00380756 7
1976 164 H 31.1981 1.64207 8.61411 -0.00892969 -0.00281577 0.00561283 7
1977 165 H 31.3683 3.79115 7.40534 0.000572864 0.00618877 -0.00659752 7
1978 166 H 29.5788 3.98695 7.36487 -0.0076332 -0.00876403 0.00346429 7
1979 167 H 29.3464 1.85365 6.14412 -0.00688047 0.0102382 -0.00806479 7
1980 168 H 31.1 1.67349 6.22547 0.00891878 0.0124256 0.0155265 7
1981 169 H 31.4694 3.67112 4.88226 -0.000817568 -0.00199131 -0.00374587 7
1982 170 H 29.7147 4.04414 4.85947 -0.00199798 -0.00282291 -0.00358532 7
1983 171 H 29.3745 1.76887 3.70625 -0.00176506 0.00365148 -0.00214522 7
1984 172 H 31.1318 1.5973 3.62802 -0.0101011 -0.00850173 0.0063099 7
1985 173 H 31.0906 3.89578 2.45139 -0.000397134 -0.00180986 -0.00263529 7
1986 174 H 29.4026 3.65737 2.21905 -0.00409349 -0.00239951 0.0117492 7
1987 175 H 29.7645 1.50518 0.971828 -0.00667467 0.0116859 0.000920187 7
1988 176 H 31.4836 1.52675 1.29912 -0.00377167 -0.00411167 0.0116785 7
1989 177 H 30.7518 2.83997 0.260371 0.01563 -0.00403387 -0.00134006 7
1990 178 H 29.4438 -0.335888 15.3819 0.0012965 0.0064541 0.00122722 7
1991 179 H 27.8955 -0.66174 14.6187 0.000375599 -0.00133421 -0.00334712 7
1992 180 H 28.5179 0.927104 12.7302 -0.00376147 -0.00403869 0.000369226 7
1993 181 H 30.1723 0.987625 13.3524 -0.0102184 0.0127698 0.00836569 7
1994 182 H 30.4345 -1.45723 13.0618 -1.26063e-05 -0.00242811 0.00853663 7
1995 183 H 28.7551 -1.64202 12.7704 -0.00299752 0.00212636 -0.00949077 7
1996 184 H 28.9121 -0.554377 10.6121 0.00840431 0.00215543 -0.015565 7
1997 185 H 30.5316 0.0735961 10.9669 -0.00166501 0.000416324 0.00693254 7
1998 186 H 31.3267 -2.42256 11.066 -0.00716233 -0.00945891 0.000300488 7
1999 187 H 29.7718 -2.80848 10.2336 0.00662716 -0.00418769 -0.0100073 7
2000 188 H 31.8727 -0.821058 9.1937 -0.000383941 -0.00457879 0.00749041 7
2001 189 H 31.8256 -2.53271 8.80194 0.00311763 -0.00126639 -0.00641324 7
2002 190 H 29.4999 -2.14031 7.82031 -0.00359977 0.00465552 -0.0175622 7
2003 191 H 29.645 -0.459739 8.26894 0.00358258 0.00244493 -0.00500319 7
2004 192 H 31.6787 -0.26775 6.76546 0.00279186 0.00191175 -0.029294 7
2005 193 H 31.6541 -2.0334 6.59727 -0.00496433 0.00252288 -0.0085437 7
2006 194 H 29.2089 -0.566691 5.71449 0.00200825 -0.00288183 0.0121918 7
2007 195 H 30.728 -0.162491 4.80899 0.00415709 0.00820473 0.0147917 7
2008 196 H 30.9507 -2.69199 4.41164 -0.00173987 -0.0087617 0.00410644 7
2009 197 H 29.4667 -2.91249 5.37056 0.0123411 -0.00953299 0.00424623 7
2010 198 H 28.7642 -2.93978 3.01206 -0.00675925 0.00261666 -0.00271205 7
2011 199 H 28.3009 -1.36376 3.53869 0.00326466 -0.00056834 -0.0056614 7
2012 200 H 30.7745 -2.21096 1.97659 -0.00648939 -0.00290183 -0.0180539 7
2013 201 H 29.4891 -1.11066 1.3311 -0.00629246 -0.0141605 -0.000857794 7
2014 202 H 30.5278 -0.517413 2.59816 0.00114606 -0.0043165 0.00349616 7
2015 203 H 27.1337 3.89149 14.7734 0.00882079 0.00532269 -0.00808013 7
2016 204 H 25.796 5.03828 14.58 0.000667598 0.00457508 0.00347202 7
2017 205 H 26.8776 6.20587 12.6887 0.00289682 0.00234426 0.00395729 7
2018 206 H 28.3828 5.39228 13.0655 0.00294495 -0.0132106 -0.000830266 7
2019 207 H 27.605 3.24091 12.3827 -0.00965557 -0.00660907 -0.00159463 7
2020 208 H 25.9627 3.82017 12.0295 -0.00246149 0.00433091 0.00773319 7
2021 209 H 28.4039 5.01535 10.7046 0.00735665 -0.00646246 -0.00578049 7
2022 210 H 27.7104 3.52628 10.1193 -0.00202978 -0.00467255 -0.00122653 7
2023 211 H 25.4631 4.80896 9.86449 -0.00800039 0.00648493 -0.00966231 7
2024 212 H 26.4074 6.3068 10.2361 -0.00679988 -0.000234463 -0.00581328 7
2025 213 H 27.7493 5.90623 8.2175 0.0145586 -0.0168835 0.00760578 7
2026 214 H 27.0739 4.2981 8.05003 -0.00787707 0.00146502 -0.00500074 7
2027 215 H 24.9402 5.09244 7.3791 0.000717584 -6.48505e-05 0.0124687 7
2028 216 H 25.2359 6.77149 7.91199 -0.0112202 -0.00167701 -0.00915579 7
2029 217 H 25.3605 6.66947 5.47035 -0.00811878 -0.0010953 0.00971897 7
2030 218 H 26.9868 6.89994 6.10292 -0.00800658 0.0146367 -0.000212879 7
2031 219 H 27.5077 4.45055 5.79975 -0.00156573 0.00579166 0.00534465 7
2032 220 H 25.8404 4.20596 5.1417 -0.00738929 0.0096646 0.0145367 7
2033 221 H 28.1932 5.63988 3.8247 0.00510465 -0.0177119 0.00733373 7
2034 222 H 27.4327 4.08634 3.49764 -0.00455113 -0.00212122 -0.00127089 7
2035 223 H 25.2093 5.41222 3.16827 -0.00177043 0.0095577 -0.00704064 7
2036 224 H 26.281 6.84082 3.06044 -0.00278306 -0.000105537 0.00949406 7
2037 225 H 26.7508 4.40145 1.25339 0.00284569 0.00219893 -0.00236906 7
2038 226 H 25.534 5.60015 0.842762 -0.0019847 -0.0112418 0.000736432 7
2039 227 H 27.2392 6.07573 0.955733 -0.00160616 0.0109456 0.00372856 7
2040 228 H 18.8005 4.45047 32.9868 -0.00814852 -0.000728036 0.0146789 7
2041 229 H 18.469 2.68911 32.9493 0.00832259 -0.00247191 -0.00171099 7
2042 230 H 19.7347 2.38843 35.0267 0.00497686 0.00807906 0.0206581 7
2043 231 H 20.309 4.01083 35.0153 -0.00372058 0.0100325 -0.0165621 7
2044 232 H 17.93 4.87889 35.2246 -0.0029284 -0.00468454 0.00136332 7
2045 233 H 17.4003 3.21462 35.3268 -0.00757435 0.0155351 -0.0136712 7
2046 234 H 18.7259 2.77148 37.3693 0.00953923 0.00201251 -0.00712723 7
2047 235 H 19.3326 4.44388 37.3613 -0.00126813 0.00415881 0.00368218 7
2048 236 H 16.8833 5.20261 37.6873 0.00972014 0.00601183 0.00492678 7
2049 237 H 16.4349 3.51374 37.7948 0.0125578 -0.0203393 0.00772487 7
2050 238 H 18.5084 4.93058 39.5776 0.000500113 -0.00463015 -0.00116908 7
2051 239 H 16.8433 4.88571 40.0394 -0.00322575 0.00550376 -0.00763246 7
2052 240 H 16.8979 2.30755 40.2645 0.00389848 -0.0026397 0.00490073 7
2053 241 H 18.3925 2.34758 39.4716 0.00353435 -0.00693471 0.00177829 7
2054 242 H 19.0518 1.98133 41.6076 0.00144379 -7.77508e-05 0.00970162 7
2055 243 H 19.4689 3.66352 41.4611 -0.00235586 -0.00275168 0.0203684 7
2056 244 H 17.4183 4.32257 42.7251 -0.0161707 -0.00243305 0.0136409 7
2057 245 H 16.8949 2.5835 42.7179 -0.0149611 0.0065583 0.00681345 7
2058 246 H 19.051 2.08292 44.0874 0.0132869 0.0014508 0.0176859 7
2059 247 H 19.3679 3.78366 44.1415 -0.00506348 0.00294837 0.0105514 7
2060 248 H 17.2037 4.13274 45.4333 -0.000628417 -0.000653371 0.00499985 7
2061 249 H 16.8456 2.41553 45.353 -6.99293e-05 -0.00216371 -0.00156348 7
2062 250 H 17.8112 3.04223 47.5748 -0.00668313 0.0006151 -0.0112184 7
2063 251 H 18.8708 1.9036 46.7475 -0.00236228 -0.000124879 0.00235339 7
2064 252 H 19.3153 3.59582 46.862 0.00845956 -0.00747872 -0.00558295 7
2065 253 H 26.3334 6.8726 33.3467 0.00381855 -0.0110673 0.00673225 7
2066 254 H 24.8267 7.80675 33.3884 0.00331219 0.00461333 0.010729 7
2067 255 H 24.5133 6.94604 35.7973 0.0026516 0.00687919 0.00297375 7
2068 256 H 25.973 6.04997 35.623 0.00489358 0.00523235 0.00780092 7
2069 257 H 27.3951 7.95191 35.4862 -0.000438633 -0.00199006 -0.00955856 7
2070 258 H 26.1292 9.01512 34.9172 -0.00206157 0.000860923 0.00459011 7
2071 259 H 26.8652 9.51131 37.2665 0.000612336 -0.00400694 0.0106904 7
2072 260 H 25.1712 9.42079 36.9843 -0.00368887 -0.00307183 0.00137911 7
2073 261 H 25.0964 7.20136 38.116 0.00700702 -0.000467619 0.00607873 7
2074 262 H 26.8629 7.2479 38.3213 0.00227722 0.000878007 -0.00947269 7
2075 263 H 26.7503 9.25279 39.6775 0.00907963 -0.00819405 0.00484609 7
2076 264 H 25.0119 9.37404 39.4544 -0.00421589 -0.00316688 0.0129599 7
2077 265 H 24.6607 7.221 40.7123 0.00119861 0.00438628 -0.00944595 7
2078 266 H 26.3675 6.96508 40.8433 -0.00507848 -0.00108125 -0.0093924 7
2079 267 H 26.482 9.18109 42.2797 -0.0130526 0.0159072 -0.0146476 7
2080 268 H 24.7512 9.25114 42.1687 -0.00358671 -0.00169218 -0.012585 7
2081 269 H 24.5622 7.00985 43.3091 -0.000133376 0.00201609 0.0044696 7
2082 270 H 26.3255 7.02324 43.5555 -0.00419051 -0.00985054 -0.00646937 7
2083 271 H 26.1736 9.11058 44.754 -0.0183893 0.0169993 -0.0172025 7
2084 272 H 24.3735 9.09464 44.7086 0.000324123 0.00763229 -0.00394094 7
2085 273 H 24.5826 6.8251 45.898 0.0131646 -0.0151144 0.00227478 7
2086 274 H 26.295 6.99658 45.9589 0.000281977 0.00117184 0.00623468 7
2087 275 H 25.0829 7.67493 48.0734 0.0163361 -0.00851977 -0.00263077 7
2088 276 H 26.0312 9.08113 47.4562 0.0117362 -0.00317323 -0.00317148 7
2089 277 H 24.288 9.01728 47.2546 -0.00166928 -0.0048107 -0.0164609 7
2090 278 H 24.9435 -1.12477 33.0444 0.00431488 0.0015591 -0.0116507 7
2091 279 H 26.3935 -0.117838 33.0816 0.00782535 0.00162864 0.0199192 7
2092 280 H 24.2448 -0.278252 35.2452 -0.00189617 0.00495994 -0.000518729 7
2093 281 H 25.7035 0.689284 35.3459 -0.00619125 0.00328651 -0.000595359 7
2094 282 H 27.1384 -1.41503 35.3076 0.00100117 -0.00288666 -0.00450276 7
2095 283 H 25.7351 -2.31059 34.9459 -0.000266579 -0.00341197 0.00556448 7
2096 284 H 26.6751 -2.43297 37.3355 -0.00417153 -0.00357395 -0.0110392 7
2097 285 H 24.9153 -2.30364 37.1507 -0.00266948 0.0093744 -0.00438864 7
2098 286 H 24.9979 0.0605697 37.8466 0.000998249 -0.000583888 -0.00286666 7
2099 287 H 26.8008 -0.0194385 37.8749 -0.00102643 -0.000130943 -0.0108248 7
2100 288 H 26.7776 -1.55655 39.7443 0.000778374 -0.00627097 -0.0225847 7
2101 289 H 25.0378 -1.81269 39.6345 0.000538821 -0.00398654 0.00071675 7
2102 290 H 24.7865 0.719876 40.1114 0.00665648 0.00958718 0.00906686 7
2103 291 H 26.428 0.762348 40.5915 0.00431183 -0.00613121 -0.0202528 7
2104 292 H 24.3923 -1.06332 41.9476 0.00389189 0.00114198 0.0059028 7
2105 293 H 24.9468 0.502166 42.5161 -0.00498163 0.00740667 -0.00101806 7
2106 294 H 27.2904 -0.500173 42.7484 -0.00183828 0.00288065 0.0021595 7
2107 295 H 26.6526 -2.00101 42.0752 0.00197805 0.00189161 -0.00612669 7
2108 296 H 26.4724 -2.3213 44.4954 0.0152613 0.00586599 -0.00498875 7
2109 297 H 24.8413 -2.04204 43.849 0.00265127 0.000437667 -0.0036942 7
2110 298 H 24.9744 0.340424 44.6915 0.0191673 0.0166304 0.00278246 7
2111 299 H 26.5816 -0.0438499 45.3088 0.00308242 -0.0134331 0.0134197 7
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2117 3 C 28.7289 12.644 28.8769 -0.0045642 0.00126776 -0.00107456 8
2118 4 C 28.2082 11.5269 29.5244 0.00149887 0.00142549 -0.000243737 8
2119 5 C 28.0269 11.5623 30.9152 -0.00155023 0.000284316 0.00189533 8
2120 6 C 28.3913 12.6753 31.6697 -0.00447087 -0.000885789 -0.000444688 8
2121 7 C 23.6446 10.0754 30.3195 -0.000726259 -0.00171784 -0.00181479 8
2122 8 C 23.8425 10.0589 28.9307 -0.00245295 -0.0015742 -0.00699955 8
2123 9 C 25.1198 10.0831 28.3666 -0.00205931 -0.00290787 0.000360247 8
2124 10 C 26.221 10.1833 29.2428 0.00147136 0.000169286 0.000553387 8
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2126 12 C 24.7297 10.0844 31.2317 -0.00587978 -0.00319032 0.0011794 8
2127 13 C 29.1984 6.84751 31.0659 -0.002593 0.0013715 0.00078787 8
2128 14 C 29.4287 6.85162 29.6749 -0.000624095 0.00275958 0.000415996 8
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2130 16 C 28.3415 9.03696 29.5598 -0.00107206 0.0020604 -0.00342336 8
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2137 23 C 28.4484 10.1797 26.2754 0.00205502 0.00203089 0.00125707 8
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2139 25 C 30.2049 11.0947 24.8822 6.71104e-05 -0.00191852 0.00147072 8
2140 26 C 31.0726 11.0243 23.7628 0.00130544 0.000628345 -0.000362613 8
2141 27 C 30.9563 9.90985 22.8931 0.00165512 0.00247545 -0.00328633 8
2142 28 C 29.9602 8.95315 23.0869 -0.000224923 -0.00105048 0.000157941 8
2143 29 C 29.1249 9.04618 24.2009 -0.00408634 -0.00532396 0.00361803 8
2144 30 C 31.7267 9.86545 21.6924 -0.000930002 0.00167853 0.000764336 8
2145 31 C 32.2715 9.95849 20.5949 -0.0013019 0.00256662 0.00213216 8
2146 32 C 30.6741 7.02136 17.915 0.00213408 -0.000730046 -0.00193638 8
2147 33 C 30.9589 7.07449 16.5436 0.000178606 -0.0010884 -0.00775827 8
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2150 36 C 31.9797 8.98235 18.3083 0.000874599 0.00309902 -0.00159256 8
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2153 39 C 36.4569 10.1286 19.1681 -0.000367623 6.19893e-05 -0.00587003 8
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2155 41 C 35.5568 10.2094 16.8848 0.00274077 0.00237239 0.00210737 8
2156 42 C 34.2651 10.2097 17.3782 -0.000508322 3.74692e-05 -0.00195327 8
2157 43 C 34.0578 10.1347 18.7813 0.00012949 -0.0015759 -0.000644051 8
2158 44 C 35.1537 10.1522 19.6477 -0.00231792 0.00103106 -0.00356344 8
2159 45 C 31.1362 13.6319 18.6155 -0.0021973 -0.000569889 0.000801498 8
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2162 48 C 32.2268 11.5053 17.1543 0.00208974 -0.00226711 0.00185602 8
2163 49 C 32.9974 10.3142 16.5221 0.00066052 -0.000253966 0.000905044 8
2164 50 C 32.0145 11.4028 18.5589 -0.00505735 0.00614287 -0.0029361 8
2165 51 C 31.4737 12.4559 19.2899 -0.00121477 -0.00340546 0.000891654 8
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2170 56 C 28.1711 9.05352 30.9582 0.00106736 4.8219e-06 0.000635204 8
2171 57 C 36.6119 9.2792 14.9604 0.00102305 -0.00068448 -0.00801534 8
2172 58 C 35.8055 8.55972 13.8781 0.00133996 0.00286463 0.00249762 8
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2174 60 C 34.3532 9.18303 11.8392 -0.00251131 -5.88991e-05 -0.00188085 8
2175 61 C 34.1171 9.87585 10.5006 0.00127747 0.00262636 -0.0045307 8
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2177 63 C 34.4647 9.83167 7.94845 -0.00236483 -0.000457075 0.00228467 8
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2185 71 C 30.2669 7.52092 13.2592 0.00448563 0.00048126 0.000396391 8
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2188 74 C 30.2845 7.59612 9.34949 0.000705439 0.00391336 0.00308134 8
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2190 76 C 31.0947 7.49156 6.8576 0.003071 -0.000191427 0.00214189 8
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2192 78 C 29.4861 7.85572 4.89281 0.0014211 -0.000206426 -0.00147304 8
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2194 80 C 30.0878 7.74617 2.39454 0.000259053 -0.00226058 -0.00147476 8
2195 81 C 31.1151 7.25964 1.35971 0.00135812 0.000802985 0.00337899 8
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2197 83 C 33.0304 12.15 13.1583 0.00514203 -0.00355974 0.00254491 8
2198 84 C 32.827 12.9801 11.8656 0.0010545 0.000513043 0.00231549 8
2199 85 C 33.9756 13.8993 11.4528 -0.00145722 -0.00533851 -0.00300958 8
2200 86 C 33.7463 14.4426 10.0644 0.000450324 0.00177937 0.00217722 8
2201 87 C 34.251 13.5099 8.95332 0.005885 0.000540653 -0.00335939 8
2202 88 C 34.0088 14.1162 7.55998 -0.000604578 -0.00380582 -0.00333208 8
2203 89 C 34.7882 13.4359 6.46751 0.000757297 -0.00309769 -0.00231573 8
2204 90 C 34.2668 13.9041 5.09307 0.00401413 -0.00165317 -0.00217771 8
2205 91 C 35.0731 13.3488 3.87548 0.0033497 9.6121e-05 -0.000718251 8
2206 92 C 34.5735 13.9973 2.55412 0.000143 0.000720737 -0.00132773 8
2207 93 C 35.4705 13.6444 1.35976 0.000786674 -0.00227271 0.00103085 8
2208 94 C 23.3106 9.88955 33.1729 -0.000501834 8.9936e-05 0.00353894 8
2209 95 C 23.3374 9.83473 34.6981 0.00063429 -0.00125026 -0.00362028 8
2210 96 C 22.1705 10.6463 35.2656 -0.00105264 -0.00104445 0.00356785 8
2211 97 C 21.5127 10.1147 36.5578 0.00108276 0.000838476 -0.00270318 8
2212 98 C 22.408 10.2152 37.8222 -0.00170868 -0.000341692 0.00148923 8
2213 99 C 21.5619 9.959 39.0829 -0.000447163 0.00198815 -0.00451234 8
2214 100 C 22.3017 9.88172 40.437 0.000305618 0.00211703 -0.00326083 8
2215 101 C 21.2985 9.86395 41.5712 0.000693468 -0.00240246 1.40554e-05 8
2216 102 C 21.9235 9.67967 42.9324 0.00107426 3.03286e-05 -0.00235099 8
2217 103 C 20.8325 9.51916 44.0242 0.000230972 -0.000163353 0.000872607 8
2218 104 C 21.374 9.57073 45.4828 -0.00268766 0.000502988 0.000387962 8
2219 105 C 21.8665 10.9726 45.941 -0.00158888 -0.00253043 -0.00370048 8
2220 106 C 28.6113 13.9152 33.8381 0.00376871 -0.000800678 0.000233742 8
2221 107 C 28.8416 13.5734 35.2873 0.00212163 -0.000174467 -0.00326991 8
2222 108 C 29.0905 14.7683 36.1922 0.00305506 0.000163811 -0.00149508 8
2223 109 C 29.809 14.3853 37.5255 0.00497895 -0.00187532 -0.000321658 8
2224 110 C 29.2477 15.1538 38.7181 0.00228291 0.00180224 0.00188825 8
2225 111 C 29.9757 14.7813 40.0683 -0.0023211 -0.000408249 0.00187984 8
2226 112 C 29.1063 15.2786 41.2498 -0.00236902 -0.00103711 0.00101397 8
2227 113 C 29.7282 14.9565 42.593 0.00108736 -0.00365903 0.000346401 8
2228 114 C 28.7289 15.2151 43.7743 -0.00230999 0.000873056 -0.000891976 8
2229 115 C 29.2142 14.8918 45.17 -0.000104741 -0.00756513 0.00380782 8
2230 116 C 28.3236 15.3554 46.3229 -0.000869281 0.00331426 -0.00162307 8
2231 117 C 28.8856 14.8103 47.6334 0.00265058 0.00113259 0.00368027 8
2232 118 C 29.5641 7.34058 33.8373 0.00266567 0.000660208 -0.00111855 8
2233 119 C 29.1605 5.94599 34.4256 0.00141724 0.000352568 -0.000131394 8
2234 120 C 29.858 5.68993 35.7789 0.00038196 7.27833e-05 0.000495511 8
2235 121 C 29.2012 6.36997 37.0107 -0.00079527 0.00139296 0.00168738 8
2236 122 C 29.962 6.03591 38.3136 0.00210446 -0.00194282 0.00769024 8
2237 123 C 29.1082 6.30456 39.6051 0.00284797 0.00167975 -0.00507828 8
2238 124 C 29.9252 6.12128 40.9252 0.000694764 -0.00237299 -0.00543768 8
2239 125 C 29.0538 6.26481 42.1785 -0.00144741 0.000362001 0.000844576 8
2240 126 C 29.8205 5.94916 43.4894 -0.00172945 -0.00321573 0.00208673 8
2241 127 C 28.9346 6.17836 44.7669 -0.000797672 -0.000405561 -0.000871431 8
2242 128 C 29.7598 5.96676 46.0327 -0.00260091 0.00671158 0.00116266 8
2243 129 C 28.9687 5.99789 47.3329 0.000446858 0.000641158 0.000452796 8
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2256 142 H 30.0988 6.19692 18.3259 0.0118743 -0.00324694 0.00668651 8
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2261 147 H 34.939 10.2135 20.7105 0.00820837 -0.00305708 -0.00123035 8
2262 148 H 30.7249 14.4673 19.1743 0.00536386 -0.00416853 0.0117426 8
2263 149 H 31.0191 14.6923 16.7348 -0.00531354 -0.00336745 0.00222063 8
2264 150 H 33.1422 10.4351 15.4414 0.00524894 -0.000881703 0.00145543 8
2265 151 H 31.3191 12.3896 20.3628 -0.00529325 -0.00121905 0.000439912 8
2266 152 H 27.2359 10.2782 32.5825 -0.0076557 0.0205358 -0.00427208 8
2267 153 H 37.4739 9.7758 14.4979 0.00863819 0.00279579 0.00995434 8
2268 154 H 36.9548 8.56168 15.716 0.00247502 0.0077542 -0.000654895 8
2269 155 H 34.7872 8.4381 14.2675 0.00203024 -0.0147609 -0.0012689 8
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2271 157 H 36.5164 9.06101 11.868 0.00272786 0.0136332 -0.0076274 8
2272 158 H 35.8773 10.4045 12.7998 -0.0103382 9.33643e-05 0.00367372 8
2273 159 H 33.621 9.54167 12.5731 -0.00244251 -0.0116661 0.00387941 8
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2275 161 H 34.5629 10.8782 10.4988 -0.0182288 0.0112812 -0.0140481 8
2276 162 H 33.0368 9.96735 10.3334 0.00118406 -0.00943211 -0.0106815 8
2277 163 H 33.9692 8.15356 9.27265 -0.000346155 -0.00260982 0.00516184 8
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2279 165 H 35.251 10.5965 7.93376 0.00378635 -0.00672336 0.00478523 8
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2281 167 H 33.8363 8.20155 6.61013 -0.00916687 0.00903915 0.005059 8
2282 168 H 35.5456 8.44072 6.77897 -0.00517976 -0.00976605 0.000490064 8
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2285 171 H 33.5993 8.20114 4.14607 -0.00731299 0.0110204 -0.00818715 8
2286 172 H 35.3532 8.15976 4.11293 0.00265228 0.0104491 0.000805001 8
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2294 180 H 30.7562 6.54187 13.3332 -0.0155064 -0.00919186 0.00494224 8
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2297 183 H 29.7844 8.87603 11.6214 0.00201909 0.00202221 0.00701555 8
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2299 185 H 30.9666 6.19532 10.8714 0.00329577 -0.00164507 0.00953449 8
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2302 188 H 32.2764 7.17432 8.62979 0.00539454 0.00237139 -0.00109134 8
2303 189 H 31.1015 5.90965 8.28156 0.00561059 -0.000881217 0.00756338 8
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2305 191 H 31.8491 7.04392 6.19881 0.0136016 -0.00617314 0.0182927 8
2306 192 H 29.5023 6.17975 6.22208 -0.0101078 -0.000883396 0.00461277 8
2307 193 H 28.9342 7.63277 6.99687 0.00774112 -0.00576505 0.00536143 8
2308 194 H 28.4329 7.75243 4.60354 0.000256091 -0.00892167 0.00588235 8
2309 195 H 29.7002 8.93145 4.91094 0.00634582 -0.00162532 0.0235147 8
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2322 208 H 31.9282 13.5857 12.0355 0.00192818 0.000420211 0.0072749 8
2323 209 H 34.0815 14.7214 12.1713 -0.0132507 -0.011776 0.00609189 8
2324 210 H 34.9151 13.3346 11.4097 -0.00638666 -0.0144148 0.00867578 8
2325 211 H 32.6714 14.6452 9.98202 0.00137014 0.000771773 -0.0120285 8
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2327 213 H 35.3371 13.3829 9.04008 0.00603686 -0.0085653 -0.0183546 8
2328 214 H 33.7864 12.5163 8.97574 -0.00295518 0.00456657 -0.00797502 8
2329 215 H 32.9412 14.1095 7.30783 -0.000501526 -0.00448207 -0.00374763 8
2330 216 H 34.2592 15.1841 7.57445 0.000796429 -0.00430515 0.00940657 8
2331 217 H 35.8352 13.7326 6.60592 -0.00145279 0.00255318 0.00236628 8
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2333 219 H 33.2077 13.6315 5.00751 0.00313507 -0.00028002 0.00427447 8
2334 220 H 34.3069 15 5.06742 0.00238008 -0.00145877 0.00358496 8
2335 221 H 36.1163 13.6598 4.01128 -0.00167248 0.0154044 0.00300676 8
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2418 2 C 33.1574 6.76382 29.533 -0.00238172 0.00342957 0.000836976 9
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2420 4 C 32.1789 4.56144 29.639 0.00272121 3.64793e-05 0.00118758 9
2421 5 C 31.9722 4.68777 31.0486 -0.000838428 0.00338565 0.00132252 9
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2423 7 C 27.5255 3.37061 30.2829 0.000358622 0.00692569 0.000301662 9
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2425 9 C 29.0582 3.44072 28.4083 0.00127383 -0.00400437 -0.00133397 9
2426 10 C 30.0923 3.39482 29.3834 -0.00591866 -0.0032809 -0.00350278 9
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2428 12 C 28.5572 3.41458 31.2527 0.00163186 0.00468549 0.00131656 9
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2430 14 C 33.5098 0.125452 29.9631 -0.00418494 0.00270735 -0.000361398 9
2431 15 C 32.9747 1.14086 29.1705 0.00228777 -0.00295652 0.00352096 9
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2438 22 C 31.9554 3.25264 27.5537 -0.00158106 -0.00315221 0.000744307 9
2439 23 C 32.4688 3.19883 26.4656 -0.000544007 0.00257862 0.00161007 9
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2441 25 C 33.7868 2.01634 24.7565 -0.000857959 -0.00140237 -0.001912 9
2442 26 C 34.6589 2.09599 23.6595 -0.00337115 0.00264479 -0.00436101 9
2443 27 C 34.8975 3.31361 22.9684 0.00269606 0.00301987 0.00173528 9
2444 28 C 34.2359 4.45297 23.4479 -0.00205368 -0.00175194 0.00198007 9
2445 29 C 33.3846 4.39182 24.5581 0.000233801 0.00364296 -0.00056511 9
2446 30 C 35.6338 3.35226 21.7459 -0.00206342 -0.00160304 0.000488904 9
2447 31 C 36.1559 3.34402 20.6453 0.000636896 -0.00359399 0.000836607 9
2448 32 C 35.1048 -0.172744 18.2815 -0.000724193 -0.000227814 0.00359401 9
2449 33 C 35.3707 -0.127942 16.9011 0.00120093 0.000389189 0.00128189 9
2450 34 C 35.9635 0.951188 16.2809 -0.00282638 -0.0022266 0.000936132 9
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2452 36 C 36.0773 2.02026 18.4876 0.00467457 -0.00161281 0.00342624 9
2453 37 C 35.4806 0.89743 19.1146 0.00230221 0.00483531 0.00139 9
2454 38 C 36.5626 3.31489 19.1935 0.00331058 0.00317058 0.00118071 9
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2456 40 C 40.5727 3.74097 17.7565 -0.00166751 -4.3151e-05 0.00801955 9
2457 41 C 39.5018 3.69867 16.8842 0.00244937 -0.00113916 -0.00328952 9
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2459 43 C 38.0387 3.4049 18.8225 0.000764208 -0.00165083 -0.000157041 9
2460 44 C 39.1251 3.52293 19.6563 0.0021295 0.00216553 -0.00219196 9
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2466 50 C 35.8698 4.46123 18.4288 -0.00175619 0.00266508 0.00189531 9
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2478 62 C 38.3584 3.39121 8.14796 -0.0030142 0.00188158 0.00165337 9
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2490 74 C 38.5682 -2.05846 10.3399 -0.000878532 1.51029e-05 0.0026085 9
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2503 87 C 34.1691 5.17712 8.21076 0.000345993 0.00294279 -0.000658036 9
2504 88 C 34.6588 4.51282 6.92806 0.000952095 -0.00273595 0.00029918 9
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2514 98 C 25.7103 3.95926 37.7256 -0.000666167 0.00315822 0.0013507 9
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2520 104 C 26.1543 3.65429 45.4929 -0.000452443 0.0028899 0.00387022 9
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2525 109 C 34.0276 9.15007 37.0434 0.000743073 -0.00579728 0.000451196 9
2526 110 C 34.0511 8.00621 38.1071 -0.00129269 0.000204099 0.0087893 9
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2539 123 C 33.9072 0.0646572 40.346 0.000452336 -0.00291043 0.00252951 9
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2541 125 C 33.169 -1.44312 42.2917 -0.000758935 -0.00215387 -0.00583963 9
2542 126 C 32.8927 -1.21678 43.7859 -0.00292076 -0.000872363 -0.00496321 9
2543 127 C 34.0356 -0.602906 44.6135 0.00293868 0.002932 0.0042169 9
2544 128 C 33.9766 -0.963955 46.1118 -0.00176646 0.00018359 -0.00198036 9
2545 129 C 32.6553 -0.477446 46.7333 -0.00301272 -0.000811694 0.00091258 9
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2602 186 H 39.5871 -1.65273 10.3126 0.00123681 -0.0059629 -0.00772261 9
2603 187 H 38.6579 -3.1055 10.6547 0.0051007 0.00191735 0.00721438 9
2604 188 H 38.2666 -2.98525 8.33811 0.00122047 0.00620068 -0.00668305 9
2605 189 H 36.8858 -2.05965 8.92377 -0.00297939 0.00201654 0.0135902 9
2606 190 H 37.7143 -0.092107 8.07187 -0.00202522 -0.00213375 0.00702888 9
2607 191 H 39.4231 -0.501431 8.43643 0.00355389 0.00308642 -0.0098054 9
2608 192 H 39.4354 -0.28382 6.08532 0.0168839 -0.0105856 0.00788879 9
2609 193 H 39.5391 -1.94214 6.50813 0.00742741 0.00932936 -0.00362777 9
2610 194 H 37.2136 -2.37601 5.82856 -0.00687325 0.00803627 0.0107789 9
2611 195 H 36.961 -0.665993 5.49807 -0.0154355 -0.0146029 -0.0165067 9
2612 196 H 39.0828 -0.899087 3.86944 0.00292932 0.000292815 -0.00162057 9
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2615 199 H 36.7383 -0.889041 2.94679 0.0085793 0.00484528 0.00716778 9
2616 200 H 38.6697 -0.993747 1.38152 0.0148424 -0.00850758 0.00941074 9
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2618 202 H 37.2936 -1.89112 0.717092 0.00804066 -0.00609452 -0.00514549 9
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2621 205 H 36.4205 4.33895 12.5361 -0.00293769 -0.00600309 8.5023e-05 9
2622 206 H 34.8718 3.52829 12.24 0.00174932 -0.00150024 -0.00082782 9
2623 207 H 34.1901 6.25362 12.6836 -0.00804926 -0.00952242 0.000272774 9
2624 208 H 35.6957 6.34664 11.7532 -0.000702161 -0.0031347 0.00104288 9
2625 209 H 33.1255 4.86566 10.9815 -0.00473174 0.0114685 -0.00731821 9
2626 210 H 33.6668 6.40741 10.3586 -0.00711664 0.000788274 -0.00488653 9
2627 211 H 35.9071 5.05446 9.48836 0.00158409 0.000356069 0.0120269 9
2628 212 H 34.8395 3.67983 9.61997 -0.0116327 0.00276332 0.0106665 9
2629 213 H 33.095 4.97905 8.31372 -9.59398e-05 0.00483602 -0.00164095 9
2630 214 H 34.3495 6.25137 8.08084 0.0046706 0.00211121 -0.00157801 9
2631 215 H 35.7522 4.55353 6.84957 7.86783e-05 0.0196225 4.40757e-05 9
2632 216 H 34.415 3.44347 6.94959 0.00937654 -0.00459605 0.00355576 9
2633 217 H 32.9119 5.16727 5.8331 0.00171492 0.00812106 0.0150671 9
2634 218 H 34.3504 6.2064 5.56493 -0.00446451 0.00228801 -0.00556506 9
2635 219 H 35.4719 4.46417 4.23256 0.000129114 0.00745421 -0.0211111 9
2636 220 H 34.1466 3.38186 4.41493 -0.00128829 0.00344975 -0.00119241 9
2637 221 H 32.6255 5.26011 3.39622 0.0165056 0.0195409 0.0259613 9
2638 222 H 34.0717 6.031 2.84496 0.00264782 0.000156049 0.00031391 9
2639 223 H 33.1368 3.17452 2.11559 -0.0016007 0.00113267 -0.00145102 9
2640 224 H 33.076 4.54252 1.04217 -0.00518198 0.00118709 0.00262864 9
2641 225 H 35.6381 3.1822 2.0851 -0.00756238 -0.000360146 0.0122953 9
2642 226 H 35.0118 3.04654 0.464 -0.00505094 -0.00695326 0.00544302 9
2643 227 H 35.6171 4.61693 1.05726 -0.00801454 0.00316622 0.00289631 9
2644 228 H 26.8252 4.73673 32.8213 0.010179 -0.000661369 -0.00843584 9
2645 229 H 26.1719 3.10308 32.5665 0.00907454 0.00408413 -0.0132255 9
2646 230 H 27.0422 2.33764 34.6979 0.013212 -0.00231485 0.00672119 9
2647 231 H 27.3783 3.99964 35.249 -0.00215552 -0.00459952 0.00297428 9
2648 232 H 24.8624 4.45425 34.9702 0.0129908 0.00427107 0.00390054 9
2649 233 H 24.7017 2.80689 34.4935 0.00868784 0.0180167 -0.0238746 9
2650 234 H 24.1336 2.85647 36.766 -0.00519116 0.0124458 -0.00432641 9
2651 235 H 25.7403 2.07623 36.7692 0.0172679 0.00681286 -0.00689136 9
2652 236 H 26.7719 4.21415 37.6185 -0.000516443 0.00494148 0.00701886 9
2653 237 H 25.1631 4.9096 37.6959 0.00029955 0.00314424 -0.0166797 9
2654 238 H 24.504 2.85207 39.1265 0.00151156 -0.00935947 -0.0142084 9
2655 239 H 26.1963 2.41507 39.1692 0.0105296 0.00284184 -0.0144474 9
2656 240 H 26.6874 4.61398 40.3189 0.00457983 -0.0119944 -0.010499 9
2657 241 H 24.9467 4.99658 40.3116 0.00586008 0.000562124 -0.00740114 9
2658 242 H 24.5222 2.8639 41.6476 0.00220679 0.00191482 0.00281139 9
2659 243 H 26.2613 2.4856 41.6031 0.00441944 0.00386953 0.0146564 9
2660 244 H 26.8456 4.33518 43.0679 -0.00292146 -0.00616775 0.0109021 9
2661 245 H 25.2268 4.97366 43.0423 -0.00503691 -0.00256917 -0.000608933 9
2662 246 H 24.4748 2.84857 44.2583 -0.0024535 -0.00405414 0.000439853 9
2663 247 H 26.0499 2.16755 43.9335 0.00107916 -0.00104852 0.0110202 9
2664 248 H 27.2486 3.69182 45.4259 0.000476984 0.00826187 0.0220253 9
2665 249 H 25.8121 4.68901 45.6179 -0.00561672 0.0031904 -0.0126257 9
2666 250 H 26.0216 3.29178 47.6416 0.00973137 -0.0118124 0.00675735 9
2667 251 H 24.6703 2.53051 46.6822 0.000906327 0.00530928 0.0164406 9
2668 252 H 26.3315 1.85157 46.7107 -0.007989 -0.00540352 -0.0131413 9
2669 253 H 34.0127 7.23772 33.4048 0.00224148 0.0107849 0.012478 9
2670 254 H 32.5613 8.14091 33.1574 0.0244607 0.00250906 -0.00310921 9
2671 255 H 31.8784 7.82798 35.4926 0.00402855 0.020936 -0.0153664 9
2672 256 H 33.2045 6.65051 35.7208 0.0133891 0.00945877 0.00688303 9
2673 257 H 34.9233 8.31355 35.2448 -0.0056467 -0.00338254 -0.0109512 9
2674 258 H 33.8282 9.56125 34.9153 -0.0199401 0.00269552 0.0055098 9
2675 259 H 34.9284 9.75834 37.1915 0.00245555 -0.011027 0.0116078 9
2676 260 H 33.1165 9.74179 37.1957 -0.00208698 -0.00904987 -0.00374881 9
2677 261 H 33.197 7.34538 37.9142 0.00172336 -0.00381546 0.00926219 9
2678 262 H 35.0155 7.4867 38.0477 -0.00128711 0.00122988 -0.000124427 9
2679 263 H 34.8721 9.10691 39.775 0.0037413 -0.0153807 0.0184091 9
2680 264 H 33.1743 9.53098 39.4807 0.00506589 0.00266231 0.0120706 9
2681 265 H 32.6244 7.04406 40.1875 -0.0046639 0.00280701 0.010219 9
2682 266 H 34.2746 6.90012 40.7336 0.00860056 0.00873588 -0.00454198 9
2683 267 H 32.1707 8.83086 41.8468 -0.00434272 -0.00971948 -0.0177828 9
2684 268 H 32.6346 7.26297 42.5226 0.0102724 -0.000567526 0.00582409 9
2685 269 H 34.9307 8.15659 42.8449 0.00146535 0.0010851 0.00556824 9
2686 270 H 34.3894 9.69968 42.1652 0.00132341 -0.00129015 -0.0016301 9
2687 271 H 34.5129 9.9047 44.5939 0.00469064 -0.00987576 -0.00392887 9
2688 272 H 32.8497 10.0654 44.1161 -0.0022871 0.000192306 0.000633725 9
2689 273 H 32.2537 7.79312 44.8924 -0.00434651 -0.00821939 0.0101581 9
2690 274 H 33.9725 7.34168 44.9996 -0.0109799 -0.00630481 -0.00597997 9
2691 275 H 34.321 8.74085 46.9829 -0.00670535 -0.00239303 0.0113356 9
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2694 278 H 33.1893 -0.813512 33.8082 -0.00339809 -0.00541139 0.0104329 9
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2696 280 H 31.4045 -0.168976 35.568 0.00166388 0.000316444 0.0015845 9
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2700 284 H 31.8351 -0.793129 38.3694 0.00768795 -0.00448309 0.0223947 9
2701 285 H 32.7263 0.65985 38.1875 0.00752687 0.00339035 -0.0112837 9
2702 286 H 34.8734 -0.650634 38.6796 -0.00412823 -0.0107068 -0.00604444 9
2703 287 H 33.7492 -1.89058 39.4351 0.00965305 0.00289164 0.00473134 9
2704 288 H 33.7937 1.08634 39.963 -0.00232853 -0.00109294 0.00822793 9
2705 289 H 34.9114 0.0152673 40.7847 0.00535924 -0.00823652 -0.00927582 9
2706 290 H 31.8563 -0.261625 41.0278 -0.00060191 0.00555771 0.00612893 9
2707 291 H 32.855 0.707935 42.0551 0.00863043 0.0041942 0.000751941 9
2708 292 H 34.2018 -1.79815 42.1885 0.00231598 0.0037565 0.00451521 9
2709 293 H 32.5076 -2.24715 41.9461 0.00270501 -0.0033535 -0.00965741 9
2710 294 H 32.6227 -2.18732 44.2201 -0.00508877 0.00278157 0.00185042 9
2711 295 H 32.0143 -0.560999 43.8284 0.00443661 0.00954472 -0.0132605 9
2712 296 H 34.0383 0.484988 44.4724 -0.000437242 0.00177847 -0.00476715 9
2713 297 H 34.9756 -0.994625 44.2057 -7.58506e-06 -0.00389832 0.00397262 9
2714 298 H 34.8209 -0.510058 46.6451 0.00702004 -0.0172739 -0.000990632 9
2715 299 H 34.1555 -2.03534 46.2652 0.00469286 -0.000434875 -0.0137541 9
2716 300 H 32.5302 0.608815 46.6451 -0.000933184 -0.000933061 -0.00350042 9
2717 301 H 32.5533 -0.736495 47.7944 -0.00860141 -0.00712873 -0.00116566 9
2718 302 H 31.7671 -0.857938 46.214 -0.0066989 -0.000961387 0.0073209 9
2719 1 C 37.1494 13.5848 31.1154 -0.00465358 -0.00286541 -0.00027751 10
2720 2 C 37.2466 13.489 29.728 -0.000301288 0.000556658 0.00652493 10
2721 3 C 36.636 12.377 29.1343 -0.00120959 0.000892939 -0.000175934 10
2722 4 C 36.0162 11.3556 29.8723 -0.000883203 -0.00363637 0.00184749 10
2723 5 C 35.9003 11.4638 31.2677 0.000162372 -0.00423693 -0.00166348 10
2724 6 C 36.4786 12.6222 31.8998 -0.00100038 0.00429275 0.000391628 10
2725 7 C 31.3641 10.4343 30.7372 -0.00101908 0.00401077 0.00408174 10
2726 8 C 31.5453 10.3778 29.3307 -0.000264517 -0.00303474 -0.000953932 10
2727 9 C 32.8137 10.2371 28.7645 0.00398474 0.00276839 -0.00255317 10
2728 10 C 33.9288 10.1779 29.6548 0.00118536 0.00313135 -0.00162505 10
2729 11 C 33.7422 10.3176 31.0871 0.00140344 -0.000214684 0.00188914 10
2730 12 C 32.4436 10.4002 31.6322 0.0042574 -0.00149232 -0.0014661 10
2731 13 C 37.0418 6.795 31.3837 -0.00306382 -0.00286672 -0.00432618 10
2732 14 C 37.1544 6.8278 29.9972 0.000248944 0.00161224 -0.00345848 10
2733 15 C 36.5934 7.84304 29.2711 -0.00111735 0.000852743 0.000575615 10
2734 16 C 35.9724 8.91077 29.9587 0.00432175 -0.00158641 0.00229074 10
2735 17 C 35.3944 10.1164 29.2337 0.00207424 0.0024751 0.000778121 10
2736 18 O 36.2983 7.69051 33.4809 -0.001741 0.00200536 0.00256823 10
2737 19 O 32.1461 10.4592 33.0029 0.00426607 0.00246396 -0.000870554 10
2738 20 O 36.4016 12.8591 33.282 0.00278412 0.00144393 0.00157214 10
2739 21 C 36.4278 7.864 32.1137 0.00215454 0.00147728 -0.00150597 10
2740 22 C 35.6087 10.09 27.7894 -0.00556609 0.000345887 0.00127036 10
2741 23 C 35.9842 10.0212 26.6234 0.000390723 0.00126402 0.00493299 10
2742 24 C 36.6221 9.98115 25.3581 -0.00279899 0.00142225 -0.00245729 10
2743 25 C 37.4355 8.89952 25.056 -0.00131199 -0.000107512 0.00197459 10
2744 26 C 38.3365 8.96097 23.9668 -0.0021689 -0.00357763 0.00201259 10
2745 27 C 38.3534 10.0823 23.1723 -0.00226698 0.0020225 -0.00323536 10
2746 28 C 37.5673 11.185 23.4801 0.00218891 0.00446478 0.00383106 10
2747 29 C 36.622 11.1362 24.539 -0.00095911 -0.00427509 0.00724721 10
2748 30 C 39.2224 10.1105 22.063 -0.00417668 0.0016513 0.00149444 10
2749 31 C 39.8386 10.1443 21.0104 0.00636506 -6.32915e-07 0.00464203 10
2750 32 C 38.4622 6.83848 18.5857 0.000978334 -0.00304351 -9.73665e-05 10
2751 33 C 38.6536 6.94777 17.1951 0.000968518 0.00282096 -0.000355386 10
2752 34 C 39.444 7.89297 16.6047 0.00118331 -0.00205327 0.00110346 10
2753 35 C 39.9863 8.87808 17.4236 -0.00710227 0.00237081 -0.0105599 10
2754 36 C 39.7112 8.89579 18.8213 -0.0012478 0.00193087 0.00216783 10
2755 37 C 38.992 7.8358 19.4003 0.000416056 0.00200619 -0.00144753 10
2756 38 C 40.32 10.1058 19.6021 0.000644367 -0.00070814 0.00372432 10
2757 39 C 44.1365 10.2946 19.7865 -0.00125123 -0.00476681 -0.00339909 10
2758 40 C 44.4239 10.2473 18.3991 0.000599217 0.00534553 0.000271724 10
2759 41 C 43.3843 10.0892 17.4414 0.00273911 -0.0062398 0.000148623 10
2760 42 C 42.0684 10.0504 17.9048 -0.00718151 0.000123294 0.00269998 10
2761 43 C 41.809 10.0948 19.2669 -0.00188607 0.00171057 0.00371702 10
2762 44 C 42.8276 10.2581 20.2231 -0.00188125 -0.00165594 -0.000855129 10
2763 45 C 38.9021 13.5702 18.5297 0.000531367 -0.00934055 -0.00223841 10
2764 46 C 39.1358 13.5496 17.1444 0.0034361 0.00208541 0.00432775 10
2765 47 C 39.7457 12.3766 16.5888 -0.0023837 -0.000380438 0.000634811 10
2766 48 C 40.0953 11.3293 17.4531 0.00030289 -0.00209761 -0.00197051 10
2767 49 C 40.8378 10.0917 16.9854 0.00152608 0.000742039 -0.00419429 10
2768 50 C 39.7717 11.3137 18.8167 -0.000682771 -0.0020748 0.00433599 10
2769 51 C 39.2174 12.4951 19.3672 -0.0013479 0.00176089 -0.0012572 10
2770 52 O 43.5889 10.0873 16.0874 0.00315303 -0.00410788 0.000865188 10
2771 53 O 39.7019 7.90618 15.2418 -0.0021036 -0.00110206 0.00250773 10
2772 54 O 39.9837 12.2316 15.2245 0.000998325 0.000148983 0.00415023 10
2773 55 C 35.0829 10.2579 31.8873 0.00367176 -0.00304239 -0.00468594 10
2774 56 C 35.8772 8.96521 31.3864 -0.00492227 0.00330131 0.00262482 10
2775 57 C 44.8022 9.55476 15.553 0.000192226 0.00201924 0.00128632 10
2776 58 C 44.7828 9.71573 13.9906 0.00262102 -0.00498788 -0.00157599 10
2777 59 C 44.1849 8.51824 13.1962 0.000248704 0.00230432 -0.00273261 10
2778 60 C 42.664 8.66951 12.8787 0.00250753 -0.00115947 -0.001419 10
2779 61 C 42.2734 9.7334 11.7884 0.00316124 0.000865036 0.00178594 10
2780 62 C 42.6986 9.31901 10.3154 -0.00257178 -0.00073929 0.00090764 10
2781 63 C 41.9197 10.1152 9.29072 0.00123438 -0.00147544 -0.00148602 10
2782 64 C 42.5594 10.1658 7.87475 -0.00256972 0.00324746 0.00250083 10
2783 65 C 41.4696 10.4515 6.8549 -0.00189854 0.00262386 -0.00281267 10
2784 66 C 42.0151 10.8355 5.4223 0.00334457 -0.00053611 -0.00412705 10
2785 67 C 42.3694 9.64416 4.50311 -0.00224754 0.00417708 -0.00344394 10
2786 68 C 42.5628 10.1467 3.04577 0.000635833 -0.00536025 -0.00415164 10
2787 69 F 39.0861 7.85467 23.6322 -0.00120827 -0.00192157 0.00125944 10
2788 70 C 39.1022 7.1021 14.281 0.00229031 0.000232426 0.00221764 10
2789 71 C 39.1695 7.83705 12.9305 0.000974895 0.00294084 0.000227191 10
2790 72 C 38.7438 6.94269 11.7512 0.00109014 -0.00178651 -0.000945852 10
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2802 84 C 41.3082 14.1293 12.2698 -0.00450074 0.00258129 0.000341251 10
2803 85 C 41.7157 13.9517 10.7929 0.000460889 0.00355442 -0.00451195 10
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2805 87 C 42.4317 15.1097 8.59031 0.00219175 -0.00182259 -0.00214162 10
2806 88 C 41.3523 14.2741 7.78648 -0.000969372 0.00132242 -0.00254233 10
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2808 90 C 42.6686 14.5831 5.45745 0.000606564 -0.00110353 -0.00115301 10
2809 91 C 42.4926 14.2047 3.96816 -0.00123557 0.000240282 0.000975833 10
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2815 97 C 30.4238 10.074 37.3779 -0.000338632 -0.000774611 3.08673e-05 10
2816 98 C 29.4633 10.0629 38.5649 -0.000167762 -0.00101155 0.00251076 10
2817 99 C 30.324 9.77597 39.8012 -0.00239746 -0.00616641 -0.0018822 10
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2830 112 C 37.4371 15.8776 40.5078 0.00335959 -0.00218712 0.000439912 10
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2836 118 C 37.094 6.65878 34.1916 0.00544195 0.00418537 0.00567695 10
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2838 120 C 37.6195 5.55341 36.4428 -0.000398326 0.00441027 -0.0048778 10
2839 121 C 37.3403 5.55684 37.9575 -0.00314901 0.00415273 0.0032067 10
2840 122 C 37.9236 6.7471 38.6905 0.00343699 -0.00251368 0.00243176 10
2841 123 C 37.4729 6.92926 40.1928 -0.00186479 -0.0035185 -0.0022381 10
2842 124 C 37.766 5.72683 41.1229 -0.000866426 -0.00173406 -0.00160743 10
2843 125 C 36.8809 5.61684 42.3854 0.00366338 0.00254325 0.00476336 10
2844 126 C 37.4032 6.41498 43.6225 0.000898807 -0.00106529 0.00224472 10
2845 127 C 36.6317 5.96743 44.8685 0.000686299 0.00181145 -0.00472373 10
2846 128 C 36.7324 6.97304 46.0583 0.00374206 0.0038639 -0.00178594 10
2847 129 C 38.1692 7.18372 46.547 -1.71216e-05 0.0019393 -0.000959956 10
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2876 158 H 44.7206 8.35338 12.2532 0.00953698 -0.000456483 0.00302248 10
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2895 177 H 41.7415 10.7761 2.68149 0.00474951 0.00574865 0.00582863 10
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2902 184 H 38.0745 8.64604 10.6192 -0.0153496 -0.00945695 0.00037502 10
2903 185 H 39.7476 8.10674 10.3076 0.00141392 -0.00714922 -0.010166 10
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2907 189 H 39.2858 8.16305 7.80502 0.00265728 0.00548762 0.0149915 10
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2910 192 H 37.3565 8.32501 5.16122 -0.00764779 -0.0107014 0.010904 10
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2912 194 H 39.1805 5.9406 4.52248 -0.00200907 -0.00544936 0.00791605 10
2913 195 H 37.4977 6.11988 4.09101 -0.00647323 0.0123903 -0.00836685 10
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2917 199 H 38.2182 8.52828 1.32362 0.00464554 -0.00295922 0.00522696 10
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2924 206 H 40.2334 12.2549 12.6256 -0.014633 0.000788612 0.0150233 10
2925 207 H 40.3905 14.7298 12.2978 -0.00230721 0.00518531 0.016898 10
2926 208 H 42.0637 14.7323 12.7885 -0.00102803 -0.00480961 0.0038623 10
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2962 244 H 30.524 10.741 43.3962 0.00283376 0.00275235 -0.00380733 10
2963 245 H 29.3605 12.1267 43.5535 -0.00679022 -0.00278156 0.00198197 10
2964 246 H 27.546 10.5612 43.8612 0.00242459 0.0037316 0.00571829 10
2965 247 H 28.709 9.2174 43.8493 -0.00574809 -0.00234151 0.00751019 10
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2969 251 H 30.2332 8.8279 46.1429 0.00966067 0.000765366 0.01068 10
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2981 263 H 35.6089 15.4526 39.5002 -0.0037765 -0.00410271 0.00412118 10
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2988 270 H 37.8067 14.4028 42.7039 0.00212839 0.00380579 -0.00359886 10
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2990 272 H 36.076 13.9674 44.5343 0.010623 0.000409259 0.00940696 10
2991 273 H 38.3616 15.0951 44.9211 0.00168905 0.0015109 0.0110396 10
2992 274 H 37.6089 16.6321 44.6154 -0.00455442 0.00482552 0.00251133 10
2993 275 H 37.002 14.71 46.9183 -0.00838451 0.00282465 0.00442174 10
2994 276 H 37.9334 16.277 47.0604 0.00584871 0.00165668 -0.0168952 10
2995 277 H 36.1999 16.3077 46.7838 -0.00731591 -0.013167 0.0102622 10
2996 278 H 36.8546 5.6466 33.8429 -0.00310794 0.00536159 0.00813668 10
2997 279 H 38.1449 6.84492 33.938 0.00435339 0.00442275 0.0013181 10
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3018 300 H 38.7474 7.75593 45.811 0.00188843 0.00183483 0.00045198 10
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3020 302 H 38.2422 7.80576 47.4476 0.00526187 -0.00854661 0.00585554 10
3021 1 C 40.888 6.87014 31.1377 0.00146807 0.00172139 -0.00419052 11
3022 2 C 41.1477 6.77499 29.767 -0.00265872 -0.00301609 0.00132028 11
3023 3 C 40.7768 5.62788 29.0982 -0.00367726 0.00199995 0.00264814 11
3024 4 C 40.0959 4.61277 29.767 0.00277217 -4.09023e-05 0.000262297 11
3025 5 C 39.854 4.66549 31.166 -0.000552083 0.0036668 -0.000132613 11
3026 6 C 40.2834 5.84497 31.8833 -0.00565322 -0.00164722 -0.00383425 11
3027 7 C 35.4572 3.5251 30.401 -0.00184195 0.0017148 0.002181 11
3028 8 C 35.6951 3.47964 29.0379 -0.00113434 0.00465511 0.000536029 11
3029 9 C 37.0161 3.33927 28.5764 0.00115303 -0.000300144 0.00348922 11
3030 10 C 38.0655 3.34267 29.4878 -0.00218389 -0.00449893 0.00159003 11
3031 11 C 37.8287 3.44549 30.8953 0.00410944 -0.00475735 -0.000405498 11
3032 12 C 36.4854 3.5717 31.3649 0.000285449 0.00584986 -0.00241354 11
3033 13 C 40.9262 0.0254433 31.3667 -0.00158004 0.00128064 0.00130787 11
3034 14 C 41.1745 -0.0206901 29.9827 0.00185193 0.00159752 0.0025364 11
3035 15 C 40.8039 1.06513 29.2259 -0.00328169 0.00091325 0.00231295 11
3036 16 C 40.1551 2.17657 29.8571 0.00104104 -0.00149384 0.00240286 11
3037 17 C 39.5591 3.34181 29.0941 0.00344567 0.00154339 -0.0019827 11
3038 18 O 40.0217 1.03401 33.3616 0.00147082 0.000790522 -0.00188996 11
3039 19 O 36.2045 3.75247 32.7283 0.000716336 0.00131696 -0.00129963 11
3040 20 O 40.1558 6.00414 33.2752 0.00055909 -0.00462049 0.000815817 11
3041 21 C 40.2525 1.08645 32.0028 0.00190484 0.000527231 -0.00145962 11
3042 22 C 39.9174 3.32808 27.6369 0.00475948 0.00623166 0.00366451 11
3043 23 C 40.4368 3.4036 26.5375 0.000906749 0.00197541 0.00171858 11
3044 24 C 41.2238 3.54551 25.3134 -0.000204667 0.000574726 0.00225921 11
3045 25 C 41.6495 4.75605 24.7581 0.0042743 -0.00277981 -0.00122766 11
3046 26 C 42.4691 4.78154 23.6459 -0.00219786 -0.000777239 -0.00409785 11
3047 27 C 42.9342 3.61264 23.096 0.00017409 -0.00248027 -0.00282782 11
3048 28 C 42.6047 2.38728 23.6545 -0.00213496 -0.00182661 0.000354216 11
3049 29 C 41.7433 2.34135 24.7488 0.00445654 -5.66697e-05 -0.000791547 11
3050 30 C 43.645 3.62591 21.8271 0.000455137 0.00307805 -0.00320706 11
3051 31 C 44.1044 3.5973 20.7079 -0.00120087 -0.00143018 0.00267876 11
3052 32 C 42.74 0.0198311 18.7497 -0.00139174 0.000600804 -0.00107354 11
3053 33 C 43.0703 -0.164169 17.397 -0.000166644 0.00218653 -0.00184673 11
3054 34 C 43.6342 0.85412 16.627 -0.00148211 -0.001915 0.000939858 11
3055 35 C 43.9107 2.09048 17.2205 -0.00111068 0.000790286 -0.0014 11
3056 36 C 43.6815 2.25216 18.6124 0.00386731 0.0024507 0.00155216 11
3057 37 C 43.13 1.18549 19.3784 -0.00326079 -4.68713e-05 0.00272515 11
3058 38 C 44.3558 3.52618 19.2277 -0.000665744 0.00238525 7.02335e-05 11
3059 39 C 48.2864 3.24979 18.8952 -0.000180799 -0.00353512 0.00332875 11
3060 40 C 48.3874 3.30022 17.4839 -0.00393711 0.00543807 -0.00248805 11
3061 41 C 47.2407 3.35127 16.698 0.000668698 0.00483091 -0.0008884 11
3062 42 C 45.9799 3.3484 17.3234 0.000450549 0.00409409 -0.000930571 11
3063 43 C 45.8466 3.42854 18.7094 7.01715e-05 -0.000694614 0.0040636 11
3064 44 C 47.0016 3.36686 19.5002 0.000153604 0.00199854 0.000421863 11
3065 45 C 42.693 6.80534 18.0903 0.00705978 0.000993605 0.000442559 11
3066 46 C 42.8907 6.68199 16.6822 -0.000844671 0.00250557 0.00407734 11
3067 47 C 43.5046 5.54985 16.1455 -0.00283111 -0.00461535 0.00472873 11
3068 48 C 43.9715 4.57915 17.016 1.48475e-05 0.0023096 0.00394834 11
3069 49 C 44.6709 3.28211 16.5514 0.00485635 -0.00624505 -0.00255478 11
3070 50 C 43.7986 4.67911 18.4184 -0.00270749 -0.00180883 0.0048536 11
3071 51 C 43.1697 5.83297 18.9766 -0.000217538 -0.00213774 -0.00113592 11
3072 52 O 47.3412 3.48288 15.3407 0.000524413 0.00244468 0.00291804 11
3073 53 O 44.1139 0.595204 15.403 -0.000760136 -0.000664703 0.0047179 11
3074 54 O 43.6797 5.47198 14.7997 0.00306972 0.00340353 -0.000100557 11
3075 55 C 39.1128 3.43222 31.7051 0.00243431 0.00229093 0.000614139 11
3076 56 C 39.8872 2.18872 31.2431 0.00106273 -0.00208875 0.00122882 11
3077 57 C 47.1813 2.4006 14.4234 -0.000393883 0.00386389 0.00255811 11
3078 58 C 46.359 2.85349 13.2524 0.000653481 0.00336499 -0.000955805 11
3079 59 C 46.9568 2.3644 11.9007 0.00329397 0.00122855 0.00126236 11
3080 60 C 46.2035 2.92943 10.6757 0.000474081 -0.00270099 0.0022403 11
3081 61 C 46.9447 2.54217 9.36527 0.00358949 -0.00147101 -0.00284294 11
3082 62 C 46.3684 3.20528 8.06578 0.00481783 0.00297299 0.00314008 11
3083 63 C 47.1606 2.71092 6.8523 0.00434966 0.000604116 -0.0061552 11
3084 64 C 46.9201 3.52428 5.56385 -0.000797882 -0.00198078 -0.00698807 11
3085 65 C 45.7081 3.06684 4.70533 -0.00124325 -0.000374997 0.000168579 11
3086 66 C 46.086 2.57026 3.26237 -0.00394892 0.00455228 -0.00291641 11
3087 67 C 46.4132 3.77644 2.37724 -0.00124557 -0.00404121 0.000932295 11
3088 68 C 46.6788 3.3922 0.909503 -0.00305515 -0.000338823 -0.00693422 11
3089 69 F 42.7323 5.95567 23.0522 -0.00147758 0.000254408 0.00389865 11
3090 70 C 44.2808 -0.731024 14.9143 -0.00163518 0.00181208 0.00213217 11
3091 71 C 45.0709 -0.667339 13.5765 8.70588e-05 -0.00273308 -6.32757e-05 11
3092 72 C 45.3333 -2.10964 13.0629 -0.000354889 0.00357889 -0.0014887 11
3093 73 C 46.0395 -2.27067 11.7208 -1.31893e-05 -0.00163636 -0.00267172 11
3094 74 C 45.4675 -1.40574 10.6071 0.00311134 0.00489901 0.000356594 11
3095 75 C 46.0079 -1.94356 9.32044 -0.00525806 0.00154843 -0.0025575 11
3096 76 C 45.4431 -1.14508 8.1056 -0.00311217 0.00477208 7.96592e-05 11
3097 77 C 45.9026 -1.62955 6.71602 0.00083129 0.00259763 0.00414863 11
3098 78 C 45.0499 -0.834398 5.66531 0.00513859 0.00468756 -0.00290062 11
3099 79 C 45.7447 -0.655516 4.29487 0.000189439 -0.00475814 0.00213845 11
3100 80 C 46.0763 -1.94553 3.56291 0.000968512 0.000588077 -0.00109209 11
3101 81 C 46.2248 -1.72634 2.0346 0.00111898 -0.00136282 -0.000342691 11
3102 82 C 42.613 5.13734 13.9211 0.000939213 0.000793141 -0.00331042 11
3103 83 C 43.3029 4.94865 12.54 0.000877052 0.00552935 0.00712505 11
3104 84 C 42.3873 5.01994 11.2877 0.00118922 0.000397489 0.00780455 11
3105 85 C 43.1937 5.18889 9.97925 0.000465704 0.0014264 -0.00264979 11
3106 86 C 42.3073 4.94509 8.67815 -0.000600009 -0.00307812 -0.00127944 11
3107 87 C 41.7548 6.24262 8.11993 0.000646326 0.00345451 0.000557735 11
3108 88 C 41.3294 6.15906 6.62947 0.000484696 -0.000239471 0.00404523 11
3109 89 C 42.5406 6.15426 5.67265 -0.00277587 0.00372385 0.00290389 11
3110 90 C 42.0662 6.06007 4.19473 -0.00122089 0.00161424 0.00198556 11
3111 91 C 43.2258 6.23522 3.16664 0.00194361 -0.00116485 -0.00215068 11
3112 92 C 42.73 6.39929 1.71836 0.00326753 0.00213022 0.00176421 11
3113 93 C 42.1333 5.08816 1.12121 -0.00391075 -0.000717801 -0.002752 11
3114 94 C 34.8235 4.02725 33.1036 -0.00094418 0.00360918 0.000871465 11
3115 95 C 34.6286 4.3517 34.6088 -0.0027749 0.00388155 0.000532 11
3116 96 C 33.3929 3.57345 35.1634 -0.00203212 0.000674872 0.0004525 11
3117 97 C 32.8352 3.95531 36.5477 -0.00502197 0.00137112 0.0033783 11
3118 98 C 33.7574 3.70359 37.7374 -0.000127784 -0.000757719 -0.00123099 11
3119 99 C 33.1229 4.17906 39.0768 0.000348013 0.00532226 0.00183198 11
3120 100 C 34.0622 3.9973 40.3148 -0.000806686 -0.00136919 -0.00291042 11
3121 101 C 33.1926 4.1191 41.5903 0.00251778 0.00164165 -0.0010242 11
3122 102 C 33.8411 3.5761 42.8945 0.00204606 0.00123018 0.000812818 11
3123 103 C 33.1294 4.13511 44.1277 -0.00168166 0.00279458 0.000354766 11
3124 104 C 33.636 3.64121 45.4972 0.00011268 0.000109271 -0.00232369 11
3125 105 C 32.9496 4.32064 46.7066 0.000238326 0.00142076 -0.000143689 11
3126 106 C 40.7675 7.17803 33.8922 -0.000271781 -0.000171208 0.0031837 11
3127 107 C 40.5835 7.38033 35.3981 -0.00153772 0.00108653 -0.000146848 11
3128 108 C 41.2702 8.64123 35.9461 -0.000701633 0.00625406 -0.000996727 11
3129 109 C 41.1117 8.72548 37.4911 0.00311804 0.00500864 0.00304678 11
3130 110 C 42.0899 7.80338 38.2984 -0.0020305 0.00229041 -0.000419142 11
3131 111 C 42.1757 8.14027 39.8022 -0.00145247 -0.00473262 1.8652e-05 11
3132 112 C 40.8145 8.01245 40.5173 -0.00173824 -0.00135556 0.00212053 11
3133 113 C 40.9754 7.89432 42.0244 0.00367841 0.00317945 0.00013719 11
3134 114 C 41.6721 9.1549 42.6514 -0.000263929 -0.00258954 0.00157587 11
3135 115 C 41.5543 9.33089 44.1691 0.00253519 0.00151639 -0.00211329 11
3136 116 C 41.9138 8.07441 44.9642 -0.000623425 -0.00258507 0.00198758 11
3137 117 C 41.6326 8.21484 46.4656 0.00156858 -0.00234766 -0.0014107 11
3138 118 C 40.0778 -0.226067 34.1307 0.000434944 0.00127412 0.00214056 11
3139 119 C 40.1758 0.164789 35.628 0.00184008 -0.0022686 -0.00100411 11
3140 120 C 40.7509 -0.915042 36.5797 -0.00274803 -0.00477661 0.00402588 11
3141 121 C 40.7854 -0.364822 37.9811 0.00174794 0.00177045 0.003521 11
3142 122 C 41.4627 -1.214 39.0478 -0.000788207 0.0020741 0.00211758 11
3143 123 C 41.4141 -0.424016 40.4066 -0.00165122 0.000528 0.00305546 11
3144 124 C 42.0158 -1.18202 41.6033 0.00190219 0.00250003 0.00507472 11
3145 125 C 41.5837 -0.386451 42.8984 -0.00106779 0.00186998 0.00159348 11
3146 126 C 41.8051 -1.13855 44.1914 -0.000844919 -0.00295974 -4.25064e-05 11
3147 127 C 40.9412 -0.624778 45.3722 0.004793 0.000240948 0.00300702 11
3148 128 C 41.3521 -1.19658 46.7379 -0.00580718 -0.00341888 0.00423599 11
3149 129 C 40.8412 -0.392577 47.9032 -0.000697679 -0.000197416 0.00319944 11
3150 130 F 41.1198 5.89254 25.2908 -0.00240875 -0.00220132 -0.00195529 11
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3152 132 H 41.6263 7.58017 29.2174 -0.00117971 -0.00672574 -0.00283126 11
3153 133 H 40.9192 5.60403 28.0218 -3.36693e-05 -0.00668868 0.00332701 11
3154 134 H 34.4017 3.54742 30.6554 -0.00042711 -0.0064086 0.00873561 11
3155 135 H 34.8857 3.52158 28.3151 0.00532863 -0.000999118 -0.00704896 11
3156 136 H 37.243 3.39456 27.5158 -0.00864698 0.0100812 0.0019265 11
3157 137 H 41.2423 -0.866339 31.8998 0.00882903 0.00663871 0.00408856 11
3158 138 H 41.6491 -0.860543 29.4839 0.0023575 0.00722664 -0.00648202 11
3159 139 H 40.9642 1.04341 28.152 0.00148417 -0.00426713 0.00313746 11
3160 140 H 43.017 1.49752 23.1878 0.00579459 -0.00130441 0.00635681 11
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3162 142 H 42.3347 -0.789765 19.3494 -0.00868525 0.0011258 -0.00530693 11
3163 143 H 42.8786 -1.12918 16.9372 -0.018823 0.00738 -0.00498766 11
3164 144 H 42.9696 1.26382 20.4496 0.00865673 -0.00693078 0.00500623 11
3165 145 H 49.1587 3.2019 19.5404 0.00705687 0.00218387 -0.00605224 11
3166 146 H 49.3683 3.31512 17.018 -0.00576042 -0.000225899 -0.00649643 11
3167 147 H 46.9402 3.40373 20.5838 -0.00266251 -0.00651128 0.000547973 11
3168 148 H 42.0653 7.59182 18.4987 0.00139894 0.000600947 -0.00747444 11
3169 149 H 42.5083 7.46246 16.0311 0.00908921 0.0105468 0.00787271 11
3170 150 H 44.7035 3.1929 15.4585 -0.006313 0.00462237 -0.00379454 11
3171 151 H 42.9672 6.00995 20.0288 -0.00190509 -0.00857213 -0.000392412 11
3172 152 H 38.898 3.41774 32.7807 -0.00341778 -0.00823712 -0.000678447 11
3173 153 H 48.1778 2.07654 14.0987 -0.00446872 -0.0139884 0.00785583 11
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3175 155 H 46.2928 3.94836 13.2694 -0.011937 0.00240922 0.0117005 11
3176 156 H 45.3375 2.47578 13.3839 0.00228353 0.00412321 0.0139273 11
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3182 162 H 48.0025 2.83089 9.39706 0.00324797 -0.00136846 0.00697855 11
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3188 168 H 46.7175 4.55655 5.87495 0.00251877 -0.00528037 0.00613425 11
3189 169 H 45.0025 3.90522 4.65423 0.000719916 0.00163408 0.00595898 11
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3192 172 H 46.9552 1.90882 3.36458 -0.0119074 -0.0035896 0.012256 11
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3201 181 H 46.008 -0.129067 13.7648 -0.00694356 0.011081 -0.00454046 11
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3210 190 H 44.3541 -1.24376 8.19353 -0.00225984 0.00123648 0.00676805 11
3211 191 H 45.611 -0.0640894 8.18742 0.0088334 0.00194955 0.0124965 11
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3214 194 H 44.0291 -1.21557 5.53846 0.00717817 -0.0033934 0.00511508 11
3215 195 H 44.84 0.163313 6.07018 0.00127187 0.0010086 0.00419701 11
3216 196 H 45.1495 0.0134523 3.66114 0.00519048 0.00651523 0.00931271 11
3217 197 H 46.6933 -0.142991 4.49717 0.00571789 -0.0127357 -0.00357242 11
3218 198 H 46.9293 -2.49976 3.97342 0.00526867 0.00744704 -0.000832512 11
3219 199 H 45.2831 -2.6927 3.68948 -0.0131025 0.0162013 0.0024597 11
3220 200 H 47.125 -1.15806 1.7698 -0.00136628 0.00326523 0.00113675 11
3221 201 H 46.237 -2.68876 1.50829 -0.00312364 -0.00830384 0.0122486 11
3222 202 H 45.3679 -1.18413 1.61607 0.00110707 -0.00586407 -0.00616164 11
3223 203 H 42.1669 4.17603 14.2045 0.00102378 0.000837106 -0.00302899 11
3224 204 H 41.8657 5.93911 13.9673 -0.00631137 -0.00670985 0.00998503 11
3225 205 H 44.0586 5.73405 12.4154 -0.0032114 0.0084982 0.00097326 11
3226 206 H 43.7792 3.96049 12.5317 -0.0137851 -0.0016168 0.0134178 11
3227 207 H 41.7643 4.11703 11.2861 -0.00200942 0.0025998 0.00939386 11
3228 208 H 41.7432 5.9041 11.3701 0.00331889 0.00284338 -0.00174716 11
3229 209 H 43.6237 6.19757 9.94627 -0.00208751 0.00256147 -0.00131354 11
3230 210 H 44.0067 4.45373 9.93547 0.0081873 0.00974523 0.00145108 11
3231 211 H 42.9513 4.48656 7.91759 0.00633065 0.0170756 -0.00758212 11
3232 212 H 41.5077 4.23776 8.93062 -0.00746846 0.00451706 -0.00179599 11
3233 213 H 40.9032 6.54753 8.74062 -0.00512689 -0.000816386 -0.00527788 11
3234 214 H 42.4494 7.07615 8.28133 0.00397257 -0.000320581 0.00574308 11
3235 215 H 40.7153 5.27247 6.4286 0.00724087 -0.00346306 -0.00240892 11
3236 216 H 40.7016 7.02676 6.39201 0.00823303 0.00293873 -0.0047977 11
3237 217 H 43.0537 7.11398 5.81074 0.00513837 -0.00167965 0.0109528 11
3238 218 H 43.2451 5.34594 5.90451 -0.00549925 -0.00174498 -0.00788808 11
3239 219 H 41.509 5.1337 4.00845 -0.00100068 0.00201182 -0.000657475 11
3240 220 H 41.3834 6.90539 4.04427 -0.0188797 -0.0172937 -0.0237231 11
3241 221 H 43.7642 7.16064 3.40564 -0.0024996 0.00236282 -0.00577091 11
3242 222 H 43.8974 5.37831 3.30126 -0.00571148 -0.00607596 0.00492252 11
3243 223 H 42.0692 7.27122 1.63804 0.00256945 0.002232 0.00865909 11
3244 224 H 43.596 6.68153 1.10693 -0.00644673 0.0029496 -0.011618 11
3245 225 H 41.725 5.2301 0.112936 -0.00468653 -0.0192268 -0.00503494 11
3246 226 H 42.8575 4.26462 1.14604 0.00348603 0.00575097 -0.00442478 11
3247 227 H 41.3284 4.77556 1.79793 -0.00980878 0.00625949 -0.00656047 11
3248 228 H 34.5193 4.92989 32.5594 0.0110881 0.000600094 -0.0108343 11
3249 229 H 34.2449 3.15616 32.7722 0.00134636 0.00132457 0.00286713 11
3250 230 H 35.5063 4.16358 35.2394 -0.00310235 -0.0214085 -0.00657661 11
3251 231 H 34.5229 5.44281 34.6502 0.00131171 0.00368291 0.0160196 11
3252 232 H 32.6111 3.55392 34.3941 -0.00749236 -0.0183142 0.00647255 11
3253 233 H 33.7152 2.52747 35.2375 0.00151861 0.00288658 0.0161778 11
3254 234 H 32.526 5.00467 36.6294 -0.00588286 0.000824365 0.0072016 11
3255 235 H 31.9171 3.36734 36.6698 -9.70616e-05 -0.00577103 0.00599962 11
3256 236 H 33.9885 2.63173 37.771 -0.0119072 -0.00282869 0.0126806 11
3257 237 H 34.7046 4.20284 37.4987 0.00263945 -0.0168138 -0.0241401 11
3258 238 H 32.7278 5.19967 39.0013 0.00169705 0.00580967 0.00135806 11
3259 239 H 32.3023 3.47007 39.2425 0.00996083 -0.00547808 0.00348866 11
3260 240 H 34.598 3.04042 40.2877 0.00398765 0.000883144 0.0124127 11
3261 241 H 34.816 4.7935 40.2791 -0.000290935 -0.00189178 -0.00366673 11
3262 242 H 32.9184 5.17626 41.6934 -0.00452896 -0.000270174 -0.000180834 11
3263 243 H 32.244 3.58839 41.4422 -0.00265711 0.0112282 -0.00226249 11
3264 244 H 33.8749 2.48278 42.8114 0.000938414 0.00143218 -0.00238957 11
3265 245 H 34.8746 3.93364 42.9815 0.00173383 0.00404215 -0.00707484 11
3266 246 H 33.3381 5.21175 44.1015 0.00466701 0.00155529 -0.00048743 11
3267 247 H 32.0543 3.9825 43.9718 -0.00138035 0.00389007 -0.00284669 11
3268 248 H 33.4193 2.56934 45.584 -0.00496223 -5.07067e-05 -0.0170227 11
3269 249 H 34.728 3.72437 45.5622 0.000400001 -0.0162124 0.0141996 11
3270 250 H 33.5259 4.07442 47.6069 0.0133623 0.00777885 -0.00681668 11
3271 251 H 32.8824 5.41106 46.6071 0.00503672 0.00229449 0.00616596 11
3272 252 H 31.9713 3.86207 46.8965 -0.00245874 0.00480083 -0.00594609 11
3273 253 H 41.8477 7.14739 33.7033 -0.00351167 0.000996302 -0.0154667 11
3274 254 H 40.318 8.06266 33.4245 0.00764502 -0.000661459 -0.00533622 11
3275 255 H 39.5198 7.47602 35.6487 -0.00244614 0.00356752 -0.00497054 11
3276 256 H 41.0102 6.56604 35.9967 -0.00552315 0.00355572 0.00607543 11
3277 257 H 42.3315 8.70836 35.6769 9.42748e-05 -0.0162946 -0.00337399 11
3278 258 H 40.8182 9.52573 35.4805 0.00345883 0.0108565 0.00370234 11
3279 259 H 41.3556 9.74579 37.8118 -0.0111309 0.0117126 -0.00750882 11
3280 260 H 40.0623 8.59113 37.7813 0.00513012 -0.0116916 0.00248865 11
3281 261 H 41.7313 6.76807 38.2445 -0.00886662 0.00636226 -0.0325241 11
3282 262 H 43.061 7.90099 37.7975 0.00210905 0.00371273 0.00791902 11
3283 263 H 42.8692 7.45443 40.3042 -0.00484383 -0.0056578 0.00345346 11
3284 264 H 42.574 9.1514 39.9517 -0.0206714 0.00120519 0.0111098 11
3285 265 H 40.1595 8.85937 40.2783 0.00568123 0.00424585 0.00166227 11
3286 266 H 40.2583 7.11326 40.2249 -0.0122797 0.00713271 -0.00395553 11
3287 267 H 39.9864 7.69447 42.4547 -0.00138388 0.0107504 -0.00799842 11
3288 268 H 41.5915 7.0221 42.2755 -0.0118052 -0.00588289 0.00663204 11
3289 269 H 42.7428 9.15438 42.4123 -0.00100369 -0.0043758 -0.00171259 11
3290 270 H 41.1979 10.0202 42.1722 -0.00922816 -0.00567393 0.0048462 11
3291 271 H 42.171 10.1746 44.5026 0.0016937 -0.00403119 0.0134994 11
3292 272 H 40.5127 9.58872 44.3973 0.00145272 0.00223388 -0.00786769 11
3293 273 H 41.3513 7.20979 44.5908 -0.00165093 -0.00312584 0.00478291 11
3294 274 H 42.9941 7.88955 44.9168 0.00215015 0.0126858 0.00526198 11
3295 275 H 40.6232 8.61477 46.6223 0.00592499 0.00263637 0.0138193 11
3296 276 H 41.7562 7.24331 46.9598 0.00209188 -0.00661244 -0.00992094 11
3297 277 H 42.3683 8.88194 46.9315 -0.00690677 0.000424873 0.0079935 11
3298 278 H 39.2109 -0.871087 33.9415 -0.00195798 0.00258337 0.00861421 11
3299 279 H 40.9966 -0.771078 33.8812 -0.00512298 -0.0122184 0.0112447 11
3300 280 H 39.1768 0.480518 35.9534 0.0069473 0.0173204 -0.00433987 11
3301 281 H 40.8187 1.05294 35.6632 0.0118805 -0.00974241 0.00367601 11
3302 282 H 41.7445 -1.24283 36.2501 -0.00460704 -0.00259491 -0.00375273 11
3303 283 H 40.0961 -1.79339 36.636 0.00248036 -0.00893202 -0.00011213 11
3304 284 H 39.7621 -0.168203 38.324 -0.00363223 -0.000618693 -0.0112095 11
3305 285 H 41.2858 0.611152 37.9604 0.00096851 0.00178145 -0.0143908 11
3306 286 H 42.4679 -1.46126 38.6846 0.00589606 0.00946877 0.0156616 11
3307 287 H 40.9211 -2.15449 39.2076 -0.00182755 0.00310063 0.00466056 11
3308 288 H 40.3729 -0.199994 40.6693 0.000687625 0.00687102 0.00691855 11
3309 289 H 41.986 0.50548 40.2954 -0.00184538 -0.000563936 -0.0070993 11
3310 290 H 43.0994 -1.30249 41.4818 0.00345956 0.0132209 0.00832136 11
3311 291 H 41.5274 -2.16412 41.6223 0.0161154 -0.00422815 0.0208876 11
3312 292 H 40.5267 -0.102072 42.8248 -0.00373892 -0.00469296 0.0149674 11
3313 293 H 42.0448 0.607919 42.9435 -0.00573681 0.00438213 -0.00568963 11
3314 294 H 42.8772 -1.05285 44.4074 -0.00249055 0.00833437 0.00369557 11
3315 295 H 41.4997 -2.18297 44.0523 0.000275568 -0.00266543 -0.00466278 11
3316 296 H 39.8814 -0.842286 45.1912 0.00356989 0.00684672 0.0021589 11
3317 297 H 40.9297 0.471441 45.4119 -0.00582663 9.01849e-05 0.00471482 11
3318 298 H 42.4452 -1.2493 46.8129 -0.0052413 0.0069507 0.00304506 11
3319 299 H 41.0415 -2.24398 46.8374 0.00441148 -0.00731307 -0.0047156 11
3320 300 H 41.1622 -0.786898 48.8753 0.00451377 -0.00230894 0.000615144 11
3321 301 H 39.7466 -0.321429 47.9162 -0.00138097 -0.0121837 0.0107492 11
3322 302 H 41.2345 0.626459 47.8019 0.00895647 -0.00505804 -0.00820985 11
3323 1 C 44.7353 13.6912 31.2664 -0.00527151 0.00250374 -0.00236625 12
3324 2 C 44.9115 13.6093 29.8655 -0.00394169 -0.000509222 -0.000322065 12
3325 3 C 44.4122 12.5009 29.1858 -0.000452883 0.00278819 -0.00216253 12
3326 4 C 43.8427 11.4371 29.9051 -0.0039707 0.00233563 -0.00395859 12
3327 5 C 43.7211 11.4867 31.328 0.00443197 -0.00541413 -0.00674421 12
3328 6 C 44.1647 12.6427 32.0435 0.00206569 0.00096557 -0.00449083 12
3329 7 C 39.2754 10.28 30.9004 0.000597887 -0.000165031 -0.00275639 12
3330 8 C 39.405 10.1769 29.5166 -0.00109342 0.00627803 0.00181953 12
3331 9 C 40.682 10.2489 28.896 0.000423958 -0.000468721 0.000791764 12
3332 10 C 41.7976 10.2561 29.7453 -0.00406918 -0.00317001 0.00564828 12
3333 11 C 41.6595 10.267 31.1613 -0.0014738 -0.00096081 0.00325143 12
3334 12 C 40.4013 10.3182 31.7339 0.000643915 -0.00254956 0.000416747 12
3335 13 C 44.6038 6.73071 31.3975 -0.00024842 -0.00297651 0.00231636 12
3336 14 C 44.789 6.74783 30.0036 0.00446719 -0.000602007 -0.00369138 12
3337 15 C 44.445 7.87591 29.2883 -0.00222339 -0.00127076 0.000856984 12
3338 16 C 43.8699 8.98038 29.972 -0.00133011 0.0019524 0.000603925 12
3339 17 C 43.241 10.1995 29.2734 0.00512313 -0.00104038 0.00237572 12
3340 18 O 44.0766 7.75648 33.5013 -0.00113957 0.00185753 -0.00414197 12
3341 19 O 40.2777 10.4704 33.1123 -0.00408315 0.00293544 0.00219774 12
3342 20 O 44.036 12.8429 33.4248 -0.000295485 -0.00215864 -0.00220339 12
3343 21 C 44.099 7.81413 32.1203 -0.00172407 0.000910398 -0.00295064 12
3344 22 C 43.4156 10.1633 27.8239 0.00662051 0.0021636 -0.00154935 12
3345 23 C 43.9147 10.2136 26.7232 0.00190142 -0.00253926 -0.00118691 12
3346 24 C 44.7046 10.25 25.5134 -0.00173222 0.00153438 -0.00080153 12
3347 25 C 45.1143 11.4585 24.9409 -0.0019693 0.000431732 0.00135907 12
3348 26 C 45.9851 11.4397 23.853 -0.00165688 0.00292465 -0.00421111 12
3349 27 C 46.5116 10.2268 23.3463 0.00286612 -0.000572554 0.00186735 12
3350 28 C 46.0711 8.98536 23.8909 -0.00248487 -0.00184749 0.00631037 12
3351 29 C 45.1665 9.01419 24.9594 -0.00194291 0.00620885 0.000479702 12
3352 30 C 47.3145 10.2779 22.2032 0.000522689 -0.000764194 -0.00314972 12
3353 31 C 47.8017 10.2377 21.1103 0.00447722 0.00189542 0.00318089 12
3354 32 C 46.44 6.87641 18.9147 -0.00342555 0.00210044 -0.000700435 12
3355 33 C 46.619 6.85258 17.5039 0.00292092 0.00530803 0.000609347 12
3356 34 C 47.337 7.89275 16.906 -0.00179296 0.00124129 -0.00154619 12
3357 35 C 47.7718 9.00136 17.6609 -0.000751109 -0.000184421 -0.00333792 12
3358 36 C 47.5614 9.0223 19.0267 -0.00404947 -0.00114326 0.00159254 12
3359 37 C 46.8646 7.96013 19.6565 0.000866205 -0.00168535 0.000589238 12
3360 38 C 48.1781 10.2263 19.7255 -0.00275595 -0.00165194 0.00245818 12
3361 39 C 52.0618 10.037 19.7574 0.00333936 0.00104489 -0.00297258 12
3362 40 C 52.2739 10.0286 18.3653 -0.00398427 -0.00352908 0.0022817 12
3363 41 C 51.2112 10.0252 17.455 -0.00293751 -6.10024e-05 -0.00242816 12
3364 42 C 49.8872 10.0337 17.9905 0.000566328 0.00327982 0.00389708 12
3365 43 C 49.6769 10.102 19.378 0.00289685 -0.00083248 0.000579011 12
3366 44 C 50.7586 10.0682 20.2702 0.00216292 -0.00372186 0.000932137 12
3367 45 C 46.5603 13.5778 18.6685 0.00119681 -0.00426636 -0.000529609 12
3368 46 C 46.8683 13.4998 17.2733 -0.0010375 -0.00112952 -0.00154562 12
3369 47 C 47.5206 12.4046 16.7123 0.00015552 -0.000969614 -0.00265519 12
3370 48 C 47.9401 11.393 17.5768 0.000333496 -0.000446822 -0.00278647 12
3371 49 C 48.6317 10.123 17.1285 -0.000136405 -0.00295149 0.00233023 12
3372 50 C 47.6633 11.4517 18.9495 -0.00228464 0.001833 -0.0026958 12
3373 51 C 46.9855 12.5446 19.4938 -0.00123776 -0.00330537 0.00153527 12
3374 52 O 51.3282 10.146 16.0742 -0.000739664 -0.000380409 0.0019969 12
3375 53 O 47.5175 7.9049 15.5617 -9.9727e-05 -0.00188524 -0.00166663 12
3376 54 O 47.6892 12.3281 15.3725 -0.00207512 -0.000435055 -0.00408528 12
3377 55 C 42.9879 10.2444 31.8968 -0.00116399 -0.00183776 0.000372808 12
3378 56 C 43.6733 8.94733 31.3806 -0.00131393 -0.00120516 -0.000899485 12
3379 57 C 52.109 9.18401 15.3403 -0.00336113 0.00123206 0.000210267 12
3380 58 C 51.8409 9.27017 13.8762 -0.000290709 0.00337212 -0.00419843 12
3381 59 C 50.3803 9.60511 13.539 0.000627091 0.00283592 0.00144267 12
3382 60 C 49.9338 9.1989 12.1259 0.000911778 -0.00206727 0.000259756 12
3383 61 C 50.6535 9.8289 10.9442 -0.00486064 0.00191149 0.00481779 12
3384 62 C 49.9157 9.44386 9.65655 0.00599138 0.000252745 -0.00069185 12
3385 63 C 50.7349 9.74748 8.38861 -0.00065338 0.000220073 -0.00201644 12
3386 64 C 49.9912 9.33451 7.095 0.00222851 -0.00393324 -0.00126816 12
3387 65 C 50.7485 9.55908 5.81849 0.000495273 -0.00283445 -0.00358673 12
3388 66 C 49.7926 9.39091 4.57368 -0.00383409 -0.00401731 0.00236509 12
3389 67 C 50.5975 9.61484 3.28236 3.55335e-05 0.0027111 0.00212708 12
3390 68 C 49.67 9.54652 2.05456 -0.00335686 0.00151418 -0.00438804 12
3391 69 F 46.3579 12.6206 23.3245 0.00451139 -0.00142732 -0.00261685 12
3392 70 C 47.13 6.84158 14.6315 0.00128134 -0.0038941 -0.00534465 12
3393 71 C 47.5475 7.31983 13.2332 7.63779e-05 -0.00253205 -0.000306262 12
3394 72 C 47.0226 6.54392 12.0429 0.000271783 0.00610674 -0.000756365 12
3395 73 C 47.434 7.1343 10.6773 -0.000153022 -0.00108032 -0.00314911 12
3396 74 C 46.3133 7.01484 9.63892 0.00066422 0.00198681 -0.00290583 12
3397 75 C 46.7819 7.36566 8.18399 -0.00290718 0.00279351 0.00214616 12
3398 76 C 45.6577 7.11756 7.14168 -0.00325759 0.00494743 -0.00188346 12
3399 77 C 46.0707 7.23621 5.64197 -0.00186778 0.000813333 0.000489792 12
3400 78 C 46.2804 8.65962 5.08997 -0.00324818 0.000827511 0.000824862 12
3401 79 C 46.2589 8.79493 3.55547 0.000179456 -0.000160685 -0.000606249 12
3402 80 C 46.6812 7.60312 2.65173 -0.00109147 0.000372507 -0.00106209 12
3403 81 C 46.6141 7.92361 1.13671 0.00150035 0.00084776 0.00332644 12
3404 82 C 48.8426 12.7922 14.6287 0.0012536 -0.00359147 -0.000747962 12
3405 83 C 48.5337 12.7712 13.1239 0.00249307 -0.00168646 -0.00327919 12
3406 84 C 49.6494 13.3092 12.2264 0.00266258 -0.000731547 0.0032574 12
3407 85 C 49.3189 13.3354 10.7282 0.00014899 0.000629348 -0.000826641 12
3408 86 C 50.4737 13.8846 9.85348 -0.00060838 0.00272826 -0.00175977 12
3409 87 C 50.0193 14.3923 8.46853 0.00212226 -0.000870217 0.000998596 12
3410 88 C 50.1161 13.44 7.28621 0.00232689 -0.000961407 0.00304393 12
3411 89 C 49.9858 14.1832 5.92313 -0.00038115 -0.000568776 -0.00184093 12
3412 90 C 50.1751 13.243 4.7255 -0.000317587 0.000177271 -0.00337372 12
3413 91 C 50.1636 14.0913 3.44369 -0.000269969 0.00180438 0.00111117 12
3414 92 C 50.4644 13.3132 2.11109 0.0017478 0.00275964 -0.00169331 12
3415 93 C 50.3092 14.1876 0.866253 0.00454597 0.00068193 -0.00339095 12
3416 94 C 39.17 11.0918 33.7252 0.00115391 0.00207156 -0.00181401 12
3417 95 C 38.1072 10.055 34.0937 0.00474379 0.0035113 -3.4269e-05 12
3418 96 C 37.3358 10.4488 35.3685 0.00513312 -0.000109023 -0.00392204 12
3419 97 C 38.1763 10.3979 36.6544 -0.000149746 0.00618626 0.00218623 12
3420 98 C 37.5799 11.2398 37.7727 0.00287465 -0.00173715 0.00348198 12
3421 99 C 37.6853 10.4382 39.0898 -0.00400239 -0.00043506 0.000408141 12
3422 100 C 37.2496 11.2059 40.3216 -0.00234282 -0.00092997 0.00526723 12
3423 101 C 37.4588 10.408 41.6285 -0.00335932 0.00682047 0.000401815 12
3424 102 C 37.0271 11.2033 42.898 0.00225677 -0.00170336 -0.000354437 12
3425 103 C 37.2807 10.4677 44.2473 0.00660858 0.0013695 -0.000157214 12
3426 104 C 37.1836 11.379 45.4935 -0.000950631 -0.00205507 8.41137e-05 12
3427 105 C 37.5404 10.6186 46.766 -0.00191979 0.00131216 0.00337526 12
3428 106 C 44.9794 13.701 34.1604 0.00106008 0.00417465 -0.00032434 12
3429 107 C 44.6029 13.944 35.6642 -0.00157151 -0.00269974 -0.00136292 12
3430 108 C 45.6964 14.8171 36.3563 0.000598762 0.00106613 -0.00242956 12
3431 109 C 46.0167 14.3816 37.8552 0.000931535 -0.000711343 -0.00462126 12
3432 110 C 44.9956 14.9114 38.905 -0.000672353 -0.00437511 0.00178019 12
3433 111 C 45.4692 14.6566 40.3259 -0.00292627 -0.00171871 -0.00114448 12
3434 112 C 44.5043 15.2303 41.3786 -0.000786801 -0.00139447 -0.000966745 12
3435 113 C 45.0441 15.3432 42.8018 0.00234459 -0.0048856 0.00254713 12
3436 114 C 45.158 14.0127 43.5604 -5.07444e-05 -5.12934e-05 -0.00223838 12
3437 115 C 44.9943 14.0895 45.1133 -0.00382409 0.000110942 0.00134444 12
3438 116 C 46.1451 14.7031 45.951 0.00271424 0.00103667 0.00200571 12
3439 117 C 46.1868 16.2209 46.0061 2.55425e-05 0.000583342 0.00180725 12
3440 118 C 44.9627 6.85097 34.2172 0.0015031 0.000125174 -0.00208936 12
3441 119 C 44.5173 6.70879 35.6871 4.61147e-05 -3.05653e-05 0.00123628 12
3442 120 C 45.0294 5.44925 36.4535 -0.0025768 0.00239367 -0.00500292 12
3443 121 C 45.0228 5.79888 37.9625 0.00182854 -0.00314386 0.00242198 12
3444 122 C 45.4985 4.60301 38.8678 -0.00232216 -0.00470339 -0.00129824 12
3445 123 C 46.399 4.94353 40.068 0.00197025 0.00128336 0.000827022 12
3446 124 C 45.8156 5.98994 41.0091 -0.00109058 -0.0014481 -0.00210332 12
3447 125 C 44.6555 5.39895 41.8553 0.000578352 0.000799866 0.00231093 12
3448 126 C 44.2935 6.2752 43.1114 0.00105128 -0.00163787 0.00190458 12
3449 127 C 45.302 6.33171 44.264 0.00231171 -0.001572 0.00108322 12
3450 128 C 45.2017 5.16191 45.3431 0.000253958 -0.00439424 -0.00161462 12
3451 129 C 44.3142 5.62195 46.5318 -0.00206423 -0.000276908 0.000988496 12
3452 130 F 44.6329 12.6295 25.4102 -0.00130432 -0.000605259 0.00137045 12
3453 131 H 45.1034 14.5801 31.7701 0.00148266 -0.000989459 -0.00112195 12
3454 132 H 45.3688 14.38 29.2521 -0.0102969 -0.00476661 -0.0104559 12
3455 133 H 44.534 12.4366 28.1086 0.0012456 -0.0024718 -0.00166436 12
3456 134 H 38.2648 10.3156 31.2966 0.00466119 0.00721951 0.00692339 12
3457 135 H 38.498 10.0958 28.9248 -0.00293879 0.00176625 0.00526035 12
3458 136 H 40.8031 10.1593 27.8205 -0.00458056 0.00248801 -1.11057e-05 12
3459 137 H 44.9456 5.81902 31.8785 0.0108712 -0.00786848 -0.0148132 12
3460 138 H 45.2544 5.89596 29.5166 0.00523282 -0.00400925 0.00298147 12
3461 139 H 44.5703 7.87724 28.2095 0.00419983 -0.00503622 0.00160342 12
3462 140 H 46.4467 8.05094 23.4845 -0.0120043 -0.00425102 0.00305286 12
3463 141 H 44.8398 8.0987 25.4437 -0.00318409 0.0040444 -0.00446722 12
3464 142 H 46.0304 5.99875 19.4061 -0.0145925 0.0156123 0.0140204 12
3465 143 H 46.3235 5.9914 16.912 -0.00409819 0.010579 -0.00354536 12
3466 144 H 46.7053 7.96422 20.7308 0.000919299 0.00820111 0.000571486 12
3467 145 H 52.8985 10.0475 20.4496 -0.012081 -0.00140536 0.0157217 12
3468 146 H 53.2719 10.0288 17.9372 -0.00241335 0.00427414 0.00597268 12
3469 147 H 50.5885 10.1073 21.3421 0.00388692 0.00869727 0.000754212 12
3470 148 H 45.9331 14.3702 19.0661 0.00348802 -0.00852485 0.0115507 12
3471 149 H 46.4101 14.2073 16.5885 0.00493094 0.00595588 0.00179829 12
3472 150 H 48.7484 9.99101 16.0457 0.00227569 0.0212312 -0.000296856 12
3473 151 H 46.7584 12.588 20.5549 -0.00668776 -0.00185611 0.000308147 12
3474 152 H 42.8661 10.2288 32.9869 -0.00715229 -0.000834579 -0.000282778 12
3475 153 H 53.1671 9.3753 15.5576 0.00159002 -0.0112743 -0.0130003 12
3476 154 H 51.9166 8.18359 15.7472 0.00841556 0.00142432 0.00632377 12
3477 155 H 52.0511 8.30414 13.4008 0.0133048 0.00397448 0.000626254 12
3478 156 H 52.5352 9.96674 13.3903 0.00434608 -0.00750288 -0.0132046 12
3479 157 H 50.1579 10.6779 13.5938 -0.00257511 0.00172678 0.0100587 12
3480 158 H 49.6815 9.11722 14.2296 0.00213208 0.000267969 0.00114674 12
3481 159 H 48.8801 9.45865 11.9657 0.00580755 0.0119243 -0.0093864 12
3482 160 H 50.0249 8.11301 11.9996 -0.0103334 -0.00279989 -0.00161599 12
3483 161 H 51.7042 9.51353 10.941 -0.00833497 -0.00948729 -0.0100488 12
3484 162 H 50.6853 10.9254 10.946 -0.003317 0.00180185 0.0217847 12
3485 163 H 48.9653 9.98383 9.56427 0.000921063 -0.0111629 -0.0154848 12
3486 164 H 49.6881 8.37079 9.66616 -0.000643554 0.00173067 0.00710824 12
3487 165 H 51.6917 9.21081 8.38578 -0.00108907 -0.000559008 -0.000646622 12
3488 166 H 50.9598 10.8211 8.37458 -0.015637 0.00332787 -0.00429421 12
3489 167 H 49.0128 9.81625 6.97671 0.00810358 0.0100544 0.0073567 12
3490 168 H 49.7932 8.25649 7.14036 -0.0144423 -0.00130126 -0.011588 12
3491 169 H 51.5429 8.80331 5.78642 0.000643274 -0.00295782 0.00297245 12
3492 170 H 51.1937 10.5606 5.77367 0.00945318 -0.00690068 -0.00553694 12
3493 171 H 48.9947 10.1437 4.57672 -0.000165687 -5.25866e-05 -0.0114154 12
3494 172 H 49.3407 8.39354 4.64025 0.0011276 -0.00719201 -0.0119455 12
3495 173 H 51.3386 8.80705 3.2417 -0.000601863 0.00247506 -0.00465634 12
3496 174 H 51.1137 10.5826 3.29852 -0.00884221 0.0076307 -0.00856357 12
3497 175 H 48.8751 10.2993 2.12371 0.011474 0.01788 -0.011563 12
3498 176 H 49.257 8.53684 1.93895 -0.00309864 0.00112937 -0.00195222 12
3499 177 H 50.2187 9.79083 1.13659 0.00289768 -0.00391123 -0.0020861 12
3500 178 H 47.5497 5.85158 14.8485 -0.00317826 -0.00627887 -0.00756515 12
3501 179 H 46.0381 6.75639 14.6955 0.00178943 -0.0107519 -0.00594172 12
3502 180 H 47.2928 8.38237 13.1355 -0.00838701 -0.00464487 -0.00116623 12
3503 181 H 48.643 7.2661 13.2535 -4.2312e-05 -0.00926995 -0.0127572 12
3504 182 H 47.4266 5.53028 12.1557 -0.00138546 0.00661526 0.00984726 12
3505 183 H 45.9273 6.51949 12.0984 0.000471902 -0.000908864 1.71761e-07 12
3506 184 H 47.6125 8.21327 10.7632 -0.0037275 -0.0001197 -0.00771996 12
3507 185 H 48.3316 6.60384 10.3362 0.00937204 0.0123482 0.00109225 12
3508 186 H 45.992 5.96829 9.56885 -0.0106848 0.00512278 0.00267424 12
3509 187 H 45.4544 7.64639 9.89751 0.0121357 0.0170249 -0.00152207 12
3510 188 H 47.1267 8.40708 8.18119 0.00390645 0.000560866 0.00594993 12
3511 189 H 47.6704 6.80453 7.869 -0.00172031 0.00286184 0.00538456 12
3512 190 H 45.2674 6.11413 7.35194 0.00265223 0.00537435 0.0112402 12
3513 191 H 44.8237 7.81017 7.30947 0.00734097 0.0209269 -0.0150812 12
3514 192 H 46.9594 6.63303 5.41894 -0.00217828 -0.00516449 0.0154546 12
3515 193 H 45.2715 6.76776 5.05439 -0.00298149 0.0098977 -0.0052395 12
3516 194 H 45.5178 9.33274 5.50061 -0.00344572 0.00373239 -0.0043018 12
3517 195 H 47.2378 9.0511 5.45554 -0.00104176 0.00113987 -0.00527492 12
3518 196 H 45.2171 9.01273 3.28972 0.0054769 0.0184663 -0.00610833 12
3519 197 H 46.8123 9.6735 3.20148 -0.00149528 0.00244249 0.00326315 12
3520 198 H 47.7248 7.32647 2.84595 -0.00155081 -0.000912142 -0.000430082 12
3521 199 H 46.064 6.73527 2.91485 0.000331033 -0.00496983 -0.0154506 12
3522 200 H 47.0952 7.11059 0.579064 -0.0089982 0.00329828 -0.00930581 12
3523 201 H 45.6073 7.98955 0.706038 -0.000968355 0.00170485 0.00926239 12
3524 202 H 47.1675 8.85183 0.948011 -0.00648948 0.00388782 -0.00505623 12
3525 203 H 49.1264 13.8025 14.9483 0.00227011 -0.00914479 0.0159566 12
3526 204 H 49.6773 12.1362 14.9052 0.00645915 0.00452571 0.00283804 12
3527 205 H 48.3302 11.7511 12.7754 0.00804241 -0.00674621 0.00830538 12
3528 206 H 47.6675 13.4173 12.9347 -0.00976135 -0.0176525 -0.00164697 12
3529 207 H 50.0088 14.2696 12.6163 0.00545664 -0.000981239 0.00130138 12
3530 208 H 50.4877 12.625 12.4066 -0.00100422 -0.00426612 0.00693618 12
3531 209 H 49.0315 12.3362 10.3782 -0.00665215 0.0045335 -0.0063764 12
3532 210 H 48.4487 13.994 10.6167 -0.00495429 -0.00543951 0.00314831 12
3533 211 H 50.8688 14.6969 10.4759 -0.011439 0.0114091 -0.00622121 12
3534 212 H 51.215 13.0769 9.81279 -0.00462176 -0.000738047 -0.00601841 12
3535 213 H 49.0118 14.8228 8.52368 0.00456583 0.00420641 0.00605161 12
3536 214 H 50.7133 15.2257 8.30305 0.0107053 -0.00536679 0.0141452 12
3537 215 H 51.1134 12.9834 7.30514 0.00895657 0.0134392 0.00196567 12
3538 216 H 49.3701 12.6371 7.33125 -0.00283028 0.00330157 -0.00612905 12
3539 217 H 49.0167 14.6964 5.89381 0.0016175 0.00450811 0.019973 12
3540 218 H 50.7551 14.9632 5.86509 0.00221969 -0.00355789 -0.00758741 12
3541 219 H 51.1106 12.6713 4.76256 0.00204533 0.00557087 0.0191972 12
3542 220 H 49.3874 12.4796 4.7401 0.00272868 -0.00308286 -0.00970185 12
3543 221 H 49.2261 14.6578 3.38229 0.00152712 0.00512075 0.00421927 12
3544 222 H 50.979 14.8228 3.5017 0.00294797 -0.000954844 -0.00899559 12
3545 223 H 51.4813 12.9029 2.14383 0.00284355 0.00619958 0.00754562 12
3546 224 H 49.7658 12.4698 2.04724 -0.00100168 0.00487621 0.000384888 12
3547 225 H 50.9616 15.0682 0.91378 -0.00188626 0.00495643 0.00591848 12
3548 226 H 50.5205 13.6266 -0.0524113 0.00530656 -0.0106695 0.00372206 12
3549 227 H 49.2894 14.5861 0.797422 0.0117076 0.0198177 0.000934794 12
3550 228 H 39.6153 11.4928 34.6441 -0.00637324 0.0194275 -0.00576908 12
3551 229 H 38.7481 11.9182 33.1399 -0.00612497 -0.00392766 -0.00504471 12
3552 230 H 37.4153 10.0067 33.2438 0.00780858 0.00291863 -0.00249888 12
3553 231 H 38.519 9.05033 34.2505 -0.00261241 0.00100408 0.00329811 12
3554 232 H 36.9348 11.4644 35.2625 0.00506698 0.000256769 -0.000202592 12
3555 233 H 36.4667 9.78735 35.4712 0.00261424 0.00522244 0.00903799 12
3556 234 H 38.337 9.35329 36.9483 0.00246371 0.0106778 0.0167502 12
3557 235 H 39.1995 10.7692 36.5178 -0.00214493 0.00595239 -0.0132748 12
3558 236 H 38.1767 12.1579 37.8377 -0.0112223 0.00695357 0.00996344 12
3559 237 H 36.5396 11.5077 37.5503 0.00432751 0.00275796 0.0020981 12
3560 238 H 37.1137 9.50338 39.0367 -0.0187472 0.00841662 0.00321927 12
3561 239 H 38.755 10.2408 39.2318 -0.00324737 -0.00542087 -0.0122942 12
3562 240 H 37.8603 12.1172 40.3191 0.00811367 -0.00792291 -0.00616232 12
3563 241 H 36.1725 11.4078 40.2724 -0.00340598 -0.00991994 -0.00833037 12
3564 242 H 36.8223 9.51629 41.5724 0.0145525 -0.00542892 -0.00811304 12
3565 243 H 38.4817 10.0285 41.743 -0.0027128 0.0111895 0.00911458 12
3566 244 H 37.6093 12.133 42.8957 -0.00130255 0.000533785 0.0043699 12
3567 245 H 35.9635 11.472 42.8915 0.000142127 -0.0101267 -0.00244331 12
3568 246 H 36.5929 9.61786 44.3373 0.0119824 -0.00184267 0.0105102 12
3569 247 H 38.3091 10.086 44.2435 0.00688976 0.00214297 -0.0017604 12
3570 248 H 37.8482 12.2449 45.3845 -0.0103223 0.00653559 0.0110401 12
3571 249 H 36.1894 11.8277 45.61 -0.00620814 -0.0178919 0.0160813 12
3572 250 H 38.5349 10.1855 46.6024 -0.00396118 -0.00712873 0.0134817 12
3573 251 H 37.5559 11.2819 47.6397 0.00131557 0.00237408 0.00251134 12
3574 252 H 36.778 9.83851 46.8831 0.000755623 -0.00354634 -0.0113599 12
3575 253 H 45.9386 13.1698 34.1936 -0.000104807 0.00246811 0.00641075 12
3576 254 H 45.1687 14.6678 33.6777 -0.00178252 0.00614151 0.00251105 12
3577 255 H 43.6145 14.416 35.7239 -0.00201636 -0.00188929 -0.0149043 12
3578 256 H 44.5289 12.9924 36.2049 0.00897933 -0.00381128 -0.00186797 12
3579 257 H 46.6303 14.6912 35.7946 -0.000498039 -0.0134938 -0.00101053 12
3580 258 H 45.4421 15.8835 36.3167 -0.00428023 -1.26198e-05 -0.000124745 12
3581 259 H 46.157 13.2951 37.9115 -0.00517609 -0.0015976 -0.00641671 12
3582 260 H 46.9792 14.8352 38.1219 -0.0042735 0.00239917 0.00891506 12
3583 261 H 44.8656 15.9868 38.7314 0.0182147 -0.000640942 0.0107282 12
3584 262 H 44.0424 14.3883 38.7601 -0.00857099 0.00960909 0.00337459 12
3585 263 H 45.5693 13.5761 40.4869 0.00445483 -0.00131331 -0.00302334 12
3586 264 H 46.4655 15.0948 40.4631 -0.00129127 -0.0046357 -0.00369858 12
3587 265 H 44.2625 16.2566 41.076 -0.00384775 -0.0030467 -0.00410379 12
3588 266 H 43.5881 14.6323 41.4592 -0.00405033 0.00398393 0.00185059 12
3589 267 H 46.0397 15.8038 42.7923 0.00480944 -0.00995352 0.0141205 12
3590 268 H 44.3696 16.01 43.3532 -0.00229518 -0.00805895 0.000711526 12
3591 269 H 44.4225 13.2723 43.2223 0.00414694 -0.00666844 0.00305269 12
3592 270 H 46.1364 13.567 43.3424 0.00225839 0.00328838 0.0012885 12
3593 271 H 44.1017 14.6814 45.3504 -0.00203515 0.0042612 -0.00227129 12
3594 272 H 44.7749 13.0944 45.5196 -0.00348754 0.00224136 0.0067529 12
3595 273 H 46.0267 14.3013 46.9649 -0.0139815 0.0132365 0.00487638 12
3596 274 H 47.1508 14.4045 45.6306 -0.000703559 -0.0199408 0.0109313 12
3597 275 H 45.1786 16.6298 46.1463 -0.00213307 -0.000830405 -0.00959474 12
3598 276 H 46.8156 16.5578 46.8395 -0.00842953 0.0134617 0.00298434 12
3599 277 H 46.601 16.5762 45.0545 0.00882509 -0.00275702 0.00438658 12
3600 278 H 44.9669 5.83432 33.8051 -0.00397463 0.000967358 -0.00420814 12
3601 279 H 46.0076 7.17489 34.1355 -0.00449714 0.0173883 -0.0099727 12
3602 280 H 43.4229 6.77876 35.6579 -0.000273506 -0.00618378 -0.00149035 12
3603 281 H 44.9054 7.58979 36.2131 0.00153556 -0.00444056 0.00750712 12
3604 282 H 46.0431 5.23039 36.0958 0.000745101 0.00616359 0.00210552 12
3605 283 H 44.4377 4.53867 36.2984 -0.00249512 0.000847985 0.0036941 12
3606 284 H 44.0352 6.10555 38.3286 0.00566065 0.00434305 0.00650622 12
3607 285 H 45.7013 6.65213 38.0849 -0.0072552 0.00404486 0.00265223 12
3608 286 H 45.9556 3.83158 38.2358 -0.00129285 0.00290063 -0.00983526 12
3609 287 H 44.5874 4.13376 39.259 0.00202517 -0.0108726 0.00140472 12
3610 288 H 47.2805 5.42849 39.6308 0.00399313 -0.00190144 0.00138933 12
3611 289 H 46.7101 4.02311 40.5773 -0.0128252 -0.00700372 -0.00507008 12
3612 290 H 45.5049 6.9291 40.5349 -0.0154441 -0.00702429 -0.00374665 12
3613 291 H 46.5939 6.25155 41.7366 0.00290759 -0.00939614 -0.00352651 12
3614 292 H 44.8656 4.39586 42.2465 0.0209129 0.0062556 0.00534236 12
3615 293 H 43.789 5.32735 41.1864 0.00327082 0.00242432 -0.00135684 12
3616 294 H 43.3841 5.84611 43.5498 -0.00975262 0.0096573 -0.00951299 12
3617 295 H 44.0382 7.29442 42.7962 -2.27761e-05 -0.0054808 -0.00962443 12
3618 296 H 45.2375 7.30037 44.7749 0.02038 -0.004869 0.00967571 12
3619 297 H 46.3185 6.25881 43.858 0.00750825 0.00978937 0.0120622 12
3620 298 H 46.1654 4.87755 45.7834 0.00367059 0.0058751 -0.00248087 12
3621 299 H 44.8283 4.28458 44.8006 -0.00931907 -0.0033289 0.00328346 12
3622 300 H 44.642 6.54731 47.0213 0.00182538 -0.00643214 0.00999924 12
3623 301 H 44.1614 4.82289 47.2677 -0.000203216 -0.00894069 -0.00801633 12
3624 302 H 43.2997 5.79895 46.1538 0.0040569 -3.69071e-05 -0.0153058 12
3625 1 C 1.63338 20.4656 30.7614 0.000484592 0.00588811 0.00153403 13
3626 2 C 1.84625 20.3624 29.3814 0.00466866 -0.00137081 0.000903878 13
3627 3 C 1.32202 19.2779 28.7111 -0.00212203 -0.00424079 0.00503789 13
3628 4 C 0.674894 18.2385 29.4242 0.000821698 0.000535302 9.00901e-05 13
3629 5 C 0.511208 18.3151 30.8416 0.00564798 0.000678565 -0.00012198 13
3630 6 C 0.972657 19.4913 31.515 -0.00230509 -5.35273e-05 0.00318493 13
3631 7 C -3.9435 17.2495 30.5707 -0.00121651 -0.000833201 0.00344696 13
3632 8 C -3.86779 17.2555 29.1629 -0.00157745 0.000121082 -8.19789e-05 13
3633 9 C -2.61809 17.2052 28.4976 0.00150535 -0.00412624 0.00259512 13
3634 10 C -1.4513 17.1197 29.2831 0.000496555 0.00117053 -0.00205593 13
3635 11 C -1.54416 17.1749 30.7267 -0.0013069 0.00202348 0.00504262 13
3636 12 C -2.79276 17.1947 31.3452 0.000817348 -0.00364663 0.00432732 13
3637 13 C 1.39462 13.6046 30.8788 -0.00294083 0.00144983 0.00421307 13
3638 14 C 1.41226 13.5597 29.4708 -0.00364387 -0.00379472 0.00219529 13
3639 15 C 0.956613 14.6731 28.7522 0.00103483 0.000864607 -0.00247774 13
3640 16 C 0.510309 15.8213 29.4347 0.00266521 -0.0012482 -5.89823e-05 13
3641 17 C -0.0223506 17.0767 28.7512 -0.00522162 -3.4895e-05 -0.0017187 13
3642 18 O 0.866559 14.6125 32.984 -0.00568218 0.00159726 -0.00318629 13
3643 19 O -2.84204 17.2026 32.7453 -0.00101118 0.00202982 -0.00190195 13
3644 20 O 0.843895 19.6151 32.8855 -0.00130208 0.00362054 0.00106931 13
3645 21 C 0.939042 14.714 31.585 0.000782809 -0.00302932 0.00133937 13
3646 22 C 0.233044 17.0941 27.2861 -0.00524916 -0.00355956 0.00364267 13
3647 23 C 0.743785 17.0723 26.2004 -0.00187476 -0.000409128 -0.00061949 13
3648 24 C 1.51798 17.0013 25.0308 -0.00124199 0.000331713 -0.000370026 13
3649 25 C 1.82375 15.7731 24.4132 -0.000589529 0.00258363 0.00477526 13
3650 26 C 2.6969 15.7886 23.3055 -0.00368374 -0.000911497 -0.00208355 13
3651 27 C 3.22529 17.0072 22.8404 -0.00309985 -0.000625161 -0.0018965 13
3652 28 C 2.89619 18.2149 23.4385 0.00573659 0.000665126 -0.00283501 13
3653 29 C 2.06992 18.2153 24.5833 0.00464559 0.00222851 -0.00193774 13
3654 30 C 4.00828 17.0202 21.6781 -0.00424509 -0.00169647 6.63959e-05 13
3655 31 C 4.57897 17.0288 20.6177 0.000365241 0.000585678 -0.0032177 13
3656 32 C 3.69423 13.4767 18.346 0.000406389 0.00342777 0.00512061 13
3657 33 C 3.98827 13.4863 16.9768 -0.00637668 -0.00330309 0.00263253 13
3658 34 C 4.53064 14.5883 16.3124 -0.000694023 -0.00286784 -0.00260448 13
3659 35 C 4.7996 15.7534 17.0907 0.00192772 -0.00230083 0.00314175 13
3660 36 C 4.50966 15.7677 18.4855 0.00229287 0.000534801 -0.000779624 13
3661 37 C 3.92964 14.6356 19.1185 -2.38022e-05 0.000348639 -0.000715693 13
3662 38 C 4.94751 17.0445 19.2094 0.00162545 0.00316817 0.00777004 13
3663 39 C 8.84831 17.191 19.1945 0.00317386 -0.0002052 -0.000245236 13
3664 40 C 9.08579 17.2742 17.8156 0.000910388 0.0024502 -0.000634052 13
3665 41 C 8.015 17.3293 16.9193 0.00379576 -0.00200353 0.000902184 13
3666 42 C 6.70454 17.1645 17.4183 -8.44819e-06 -0.00344586 0.0022406 13
3667 43 C 6.4556 17.1101 18.8497 -0.00223797 0.00494865 0.000950753 13
3668 44 C 7.56158 17.0824 19.747 -0.0023371 0.00212311 0.0018401 13
3669 45 C 2.82457 20.0831 18.0806 -0.000408689 -0.000783466 -0.00297675 13
3670 46 C 3.03206 20.0323 16.6871 0.00408245 0.00286128 0.00259037 13
3671 47 C 3.95373 19.1018 16.1835 -0.000603858 0.000811995 0.00394711 13
3672 48 C 4.55274 18.1954 17.0587 -0.00132519 -0.00132631 -0.00268789 13
3673 49 C 5.42688 17.035 16.567 0.0011648 -0.000335335 -0.0026541 13
3674 50 C 4.25961 18.2006 18.4458 -9.77191e-05 -0.0025944 -0.000639566 13
3675 51 C 3.39258 19.1683 18.94 0.000215381 0.0046742 -0.000484369 13
3676 52 O 8.20858 17.6526 15.6086 0.000894095 -0.00682555 0.00423779 13
3677 53 O 4.84175 14.5098 14.96 -0.000558769 -0.00033673 0.000718533 13
3678 54 O 4.32624 19.1285 14.866 -0.00321437 0.00249436 -0.00205 13
3679 55 C -0.197629 17.1106 31.4442 0.00388527 0.00445052 0.00246838 13
3680 56 C 0.459614 15.8211 30.8452 -0.00173365 0.0051551 0.00210234 13
3681 57 C 8.04907 16.6801 14.6012 -0.000551036 0.00242589 0.00771464 13
3682 58 C 7.92125 17.4887 13.2567 0.000606636 0.00178222 0.00216781 13
3683 59 C 7.79889 16.6136 12.0114 8.28377e-05 0.000353845 -0.00213502 13
3684 60 C 7.70854 17.3992 10.7006 -0.00628639 0.000615375 0.00111631 13
3685 61 C 7.80141 16.5838 9.40359 -0.000875421 0.00347566 -0.00200679 13
3686 62 C 6.44541 16.2243 8.78251 0.000449742 -4.35942e-05 0.00330182 13
3687 63 C 6.5292 15.6579 7.32607 0.00167603 0.00271059 0.000392104 13
3688 64 C 6.72396 16.8098 6.28682 -0.000321499 0.00148219 -0.00295634 13
3689 65 C 6.29943 16.3807 4.87963 -0.0006145 0.00247348 0.0025309 13
3690 66 C 7.35475 15.5197 4.13088 -0.00184941 -0.0023305 -0.000952853 13
3691 67 C 6.97618 15.1274 2.6832 -0.0038648 -0.00136375 0.000937977 13
3692 68 C 6.62915 16.3272 1.8053 -0.000757146 -0.000693525 0.00178562 13
3693 69 F 3.04105 14.5919 22.7361 -0.000534617 -0.000338285 -0.000151645 13
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3695 71 C 5.88141 13.6419 12.9977 -0.00139258 0.00164642 -0.000190768 13
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3928 2 C 5.96548 26.9649 29.9067 0.00191146 -0.00270696 0.000230283 14
3929 3 C 5.45488 25.8757 29.2027 -0.00148375 0.000845175 0.00224066 14
3930 4 C 4.66007 24.9335 29.8368 -0.0049532 0.00283519 0.000463594 14
3931 5 C 4.49662 24.9927 31.2446 0.00122146 -0.0035904 -0.000133221 14
3932 6 C 5.03827 26.1072 31.9556 -0.000920201 0.00287008 -0.00524819 14
3933 7 C 0.0762082 24.4758 30.4345 0.000232116 -0.00235595 0.000521638 14
3934 8 C 0.286439 24.3887 29.0568 -0.000598876 -0.0019178 -0.00499851 14
3935 9 C 1.55621 24.0651 28.6467 -0.00234918 -0.000965262 0.000741281 14
3936 10 C 2.58833 23.8604 29.5483 -0.00615005 -0.00165833 -0.000813012 14
3937 11 C 2.38175 23.9128 30.9529 0.00213673 0.00190982 -0.00150227 14
3938 12 C 1.07209 24.1807 31.4151 -0.00342616 -0.00487831 -0.00053363 14
3939 13 C 5.55143 20.4254 31.4854 0.0012034 -0.000353586 -0.00269126 14
3940 14 C 5.72117 20.3856 30.0883 0.00156216 0.00355934 0.00374368 14
3941 15 C 5.20354 21.4005 29.3078 -0.00293803 0.00201176 -0.000291559 14
3942 16 C 4.57808 22.4979 29.9165 0.00229349 -0.00175796 0.0043236 14
3943 17 C 4.01956 23.7093 29.1563 -0.00421246 -0.00562758 0.00345992 14
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3946 20 O 4.78958 26.2229 33.2986 0.000843617 0.00290883 0.000834159 14
3947 21 C 4.91544 21.5524 32.1126 0.00142613 0.00437021 -0.00217779 14
3948 22 C 4.37673 23.6126 27.7458 5.25993e-06 -0.00129413 0.00268186 14
3949 23 C 4.94676 23.5424 26.683 0.0018573 -0.00346568 -0.00131994 14
3950 24 C 5.72031 23.4989 25.4992 0.000437114 7.50358e-06 0.000567935 14
3951 25 C 6.85606 22.6816 25.4419 -0.00247956 0.00351368 0.00216655 14
3952 26 C 7.6792 22.7324 24.3156 -0.00533468 -0.00360554 0.00103411 14
3953 27 C 7.33909 23.5949 23.2585 -0.00333323 -0.00134416 -0.00304639 14
3954 28 C 6.17545 24.3714 23.2998 -0.00145038 -0.00318468 -0.00246733 14
3955 29 C 5.39212 24.3653 24.44 0.000729855 -0.0029516 0.00161377 14
3956 30 C 8.10631 23.6422 22.078 -0.00186357 -0.000457674 0.000729587 14
3957 31 C 8.61159 23.6483 20.9732 -0.000846792 0.00154424 -0.00219121 14
3958 32 C 7.05498 20.4889 18.513 0.000385639 -0.000885718 0.00174272 14
3959 33 C 7.29106 20.5245 17.116 -0.00053958 0.000658265 0.0040692 14
3960 34 C 8.07997 21.585 16.5657 -0.00283473 0.000862425 -0.00152301 14
3961 35 C 8.53611 22.5989 17.3942 0.00260696 0.00191533 0.00592018 14
3962 36 C 8.30016 22.5252 18.7961 0.000624361 0.00132878 0.00081355 14
3963 37 C 7.57839 21.4611 19.3587 0.00127395 0.00305188 -0.00252118 14
3964 38 C 8.94222 23.6752 19.5607 0.00156009 0.00313989 -0.000710463 14
3965 39 C 12.7921 23.8657 19.6333 -0.00337709 -0.00222743 -0.00131719 14
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3968 42 C 10.6551 23.7563 17.8272 0.00175692 0.00143236 -0.00173016 14
3969 43 C 10.4332 23.6601 19.2096 -0.00293676 0.000499254 0.000881322 14
3970 44 C 11.4901 23.7232 20.1335 -0.00172717 0.00347815 0.0012894 14
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3974 48 C 8.62101 25.0029 17.4992 -0.00363134 -0.00332307 0.00323812 14
3975 49 C 9.36869 23.8099 16.9626 -0.000143399 0.00263536 -0.008135 14
3976 50 C 8.38801 24.9676 18.8995 0.00258688 -0.000807836 0.000414598 14
3977 51 C 7.79616 26.0919 19.5277 -0.0014697 -0.00523831 -0.00178558 14
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3982 56 C 4.41394 22.5489 31.3214 -0.00171851 -0.00383503 0.000140616 14
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3988 62 C 11.0505 22.3936 9.10598 0.00620709 -0.00393938 -0.000147876 14
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3992 66 C 10.5705 22.4162 4.00375 0.00178975 0.00134872 -0.00207336 14
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3994 68 C 10.6915 22.5299 1.43238 -0.000923871 0.00129364 -0.00182458 14
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3999 73 C 7.64785 20.9899 10.298 0.00193952 -2.11141e-05 0.00106254 14
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4001 75 C 6.82593 20.0898 7.99734 -0.0015489 -0.00400132 0.000733111 14
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4003 77 C 7.39575 20.909 5.64252 -0.00251332 0.000533218 0.00435328 14
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4010 84 C 10.0632 27.8668 12.5337 0.00133261 -0.00305043 -0.00201143 14
4011 85 C 10.5265 27.4072 11.1278 0.000518429 -0.00198743 0.00140816 14
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4013 87 C 12.1165 28.0701 9.21655 -0.00216823 -6.3034e-05 0.00311813 14
4014 88 C 11.4345 27.0991 8.27683 0.00546381 -0.00200164 -0.00124049 14
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4021 95 C -1.2377 24.4325 34.301 0.00136241 0.00410045 0.00210602 14
4022 96 C -0.827996 24.0224 35.7307 0.00520376 -0.00240406 0.00271636 14
4023 97 C -1.7978 24.4133 36.911 0.0015696 0.003879 -0.00266535 14
4024 98 C -1.28412 23.8068 38.2612 0.000397071 -0.00162799 0.00210474 14
4025 99 C -1.95586 24.3084 39.5187 0.00226889 0.00367319 0.00398931 14
4026 100 C -1.24858 23.7862 40.7832 -0.001659 -0.000670474 -0.00229334 14
4027 101 C -1.88885 24.2389 42.1027 -0.000334227 0.00125699 -0.000693641 14
4028 102 C -1.22427 23.5653 43.33 0.00117216 5.26199e-05 -0.0015902 14
4029 103 C -1.74 24.0291 44.6941 -0.00329112 0.00281278 -0.00551864 14
4030 104 C -0.85777 23.5128 45.8625 -0.00581251 0.00496275 -0.000642788 14
4031 105 C -1.36618 23.9172 47.2357 -0.00295516 -0.001556 -0.00654585 14
4032 106 C 5.6676 26.8471 34.2354 -0.000877555 -0.00106026 -0.00346468 14
4033 107 C 5.32878 28.3155 34.3996 0.000284768 -9.35033e-05 -0.00229203 14
4034 108 C 5.81272 29.0333 35.7268 -0.00128768 0.00126945 0.00206611 14
4035 109 C 5.26676 28.4612 37.037 0.002761 0.00216329 -0.000774271 14
4036 110 C 5.88221 29.1127 38.2884 0.00136927 -4.25568e-05 -0.000695073 14
4037 111 C 5.54737 28.3457 39.5956 -7.54205e-05 0.00290398 0.00880546 14
4038 112 C 6.23249 29.0352 40.8091 -0.00183591 0.00226992 -0.0038596 14
4039 113 C 6.3151 28.1817 42.1014 0.00195136 0.0012893 0.00142765 14
4040 114 C 6.79969 29.0526 43.2323 -0.00219521 -0.00120294 0.00181973 14
4041 115 C 7.18977 28.3238 44.5257 0.0042341 0.000668077 -0.00245463 14
4042 116 C 6.00958 27.7732 45.3822 -0.00391369 -0.00214817 0.00498921 14
4043 117 C 5.22065 28.9494 45.9913 0.00207558 0.00146918 -0.00521895 14
4044 118 C 4.72198 20.3192 34.2237 -0.00690552 0.00190905 0.00320715 14
4045 119 C 6.13294 20.0506 34.7725 -0.00148113 -0.000180144 0.00171586 14
4046 120 C 6.16963 18.8306 35.682 0.00172132 -0.000184083 -0.00278419 14
4047 121 C 5.60387 18.9586 37.1046 -0.00244791 -0.00358839 -0.00139876 14
4048 122 C 6.53086 19.8505 37.9961 0.00176651 0.00199631 -0.00246788 14
4049 123 C 5.87191 20.1033 39.3774 -0.00308221 -0.00478709 0.00415716 14
4050 124 C 5.91412 18.9081 40.3605 -0.00279452 0.0014303 0.00185189 14
4051 125 C 5.53692 19.4186 41.7457 -0.00153835 -0.000452767 -0.00459699 14
4052 126 C 5.99216 18.5142 42.8745 0.00193552 0.00152631 -0.000401224 14
4053 127 C 6.03385 19.2653 44.2112 -0.000348385 0.000905715 0.000606602 14
4054 128 C 6.43297 18.3335 45.3875 -0.0005394 0.000412937 0.000327886 14
4055 129 C 6.35924 19.0417 46.7366 -0.000145014 3.76317e-06 0.00425826 14
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4251 23 C 8.85691 16.6781 26.4365 -0.0027662 -0.00452729 -0.0031269 15
4252 24 C 9.6888 16.7237 25.3006 0.000874117 -0.00153158 0.000460399 15
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4259 31 C 12.7579 16.9083 20.8682 -0.00273867 -0.000385554 -0.00128698 15
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4270 42 C 14.4257 17.0746 17.4597 -0.00310652 -0.00123047 -0.0012501 15
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4272 44 C 15.5519 17.0088 19.6247 -0.0014324 0.00539582 0.000496462 15
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4274 46 C 11.3229 20.4102 17.3163 -0.00358675 -0.00171672 -0.00112179 15
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4279 51 C 11.6443 19.256 19.4159 -0.000455268 0.00461629 0.00173805 15
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4296 68 C 15.3678 17.5631 1.24808 -0.00247548 0.000754528 0.000692981 15
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4298 70 C 13.1197 13.3368 14.6994 -0.00201336 -0.00443842 5.21873e-05 15
4299 71 C 13.982 13.6193 13.508 0.00231037 -0.00211553 0.00269891 15
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4301 73 C 14.5214 12.6535 11.1414 -0.0013195 0.0053258 0.00149754 15
4302 74 C 14.8766 11.4471 10.3097 0.000452842 0.00102963 0.00211647 15
4303 75 C 15.5117 11.752 8.95609 0.000752316 0.000463404 -0.00292513 15
4304 76 C 14.5486 12.1855 7.84131 0.000462971 -0.00109371 0.000400119 15
4305 77 C 15.3289 12.4548 6.51145 -0.000650981 -0.000365797 0.00192721 15
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4309 81 C 14.034 11.9734 2.2522 0.00138691 -0.00114139 0.00496221 15
4310 82 C 11.2975 18.8175 14.3008 -0.00150284 -0.00316472 0.00149313 15
4311 83 C 12.1435 18.7287 13.0622 0.00694057 0.00602678 0.000808112 15
4312 84 C 11.2393 18.3819 11.8451 -0.00111232 0.00133685 0.00477724 15
4313 85 C 11.9163 18.7313 10.5347 -0.00376132 0.00162259 -0.000731858 15
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4315 87 C 11.7157 18.4866 7.89814 -0.00396681 -0.00199587 0.00310263 15
4316 88 C 10.615 18.3547 6.83639 0.000211484 -0.00110454 0.00162691 15
4317 89 C 11.2068 18.4085 5.41763 -0.00172108 -0.00160627 0.00207968 15
4318 90 C 10.0826 18.4034 4.37142 0.0036651 -0.000974482 -0.00180853 15
4319 91 C 10.4918 17.8404 2.97475 0.000822167 -0.00310009 -5.36457e-05 15
4320 92 C 11.3907 18.8154 2.21092 0.00235318 -0.00249348 -0.00437493 15
4321 93 C 11.6724 18.4009 0.787953 0.00360767 -0.000317626 -0.00320633 15
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4323 95 C 2.98727 17.2345 34.4817 0.00142394 -0.00330989 0.00245412 15
4324 96 C 1.53198 17.2065 34.9492 0.00174909 0.00263881 0.00289334 15
4325 97 C 1.34347 16.7692 36.4123 -0.0049703 -0.00293045 -0.00378919 15
4326 98 C 2.1172 17.5543 37.4749 -0.00266531 0.000480045 0.00184968 15
4327 99 C 1.88109 16.8464 38.8132 0.000405759 -0.000493454 0.00195355 15
4328 100 C 2.19142 17.6804 40.0514 0.00126798 0.00426953 0.00286958 15
4329 101 C 2.03757 16.8109 41.3107 -0.000773184 0.00153478 0.00474759 15
4330 102 C 2.19 17.5774 42.6146 -0.00235189 0.000107737 -0.00300827 15
4331 103 C 2.38393 16.5845 43.7587 -0.00298317 -0.00373157 0.00109564 15
4332 104 C 2.63239 17.314 45.0671 -0.00140654 0.00204728 0.00247629 15
4333 105 C 2.97001 16.3185 46.1815 0.00310056 -0.00377812 -0.00179758 15
4334 106 C 9.44639 20.6566 33.7053 0.00136055 0.000632452 -0.00141661 15
4335 107 C 9.52888 20.6396 35.2689 -0.000612842 -0.00117418 -0.000426517 15
4336 108 C 9.96431 22.0043 35.877 -0.000268206 0.00274908 -0.00269366 15
4337 109 C 9.56095 22.3234 37.3351 -0.00096305 -0.00105426 -0.00427042 15
4338 110 C 10.2138 21.3749 38.3646 -0.00163475 0.000329081 0.00257761 15
4339 111 C 10.3454 22.0169 39.7234 0.00423276 0.00134397 0.00254597 15
4340 112 C 9.04065 22.19 40.548 -0.00260296 -0.000838433 -0.000390424 15
4341 113 C 8.65399 20.9992 41.4486 0.00400341 -0.0021721 -0.000527951 15
4342 114 C 9.61245 20.6884 42.6043 -0.00146014 0.0024445 0.000803497 15
4343 115 C 9.82552 21.8345 43.5611 0.00186323 0.00123977 0.00316382 15
4344 116 C 10.6012 21.3301 44.7816 0.00206789 0.000978804 0.0014617 15
4345 117 C 9.66648 20.7393 45.9193 -0.00256521 0.00133199 -0.00166078 15
4346 118 C 9.55319 13.5617 34.1281 -0.00188868 -0.00126793 0.00102318 15
4347 119 C 8.98831 13.5136 35.573 0.000671884 0.000418267 -0.00150545 15
4348 120 C 9.81433 12.7836 36.6332 0.00138914 0.00339275 0.000775177 15
4349 121 C 9.15773 12.933 38.0053 0.000156737 -0.00161222 0.00201442 15
4350 122 C 10.1733 12.8109 39.1984 -0.000829977 -0.000838147 0.00115506 15
4351 123 C 9.48254 12.72 40.5608 0.00111141 0.00087137 0.000345434 15
4352 124 C 10.5185 12.5688 41.7039 -0.00133992 -0.00284856 0.00272797 15
4353 125 C 9.80747 12.4207 43.0599 -0.00394825 0.00240381 0.00092747 15
4354 126 C 10.7448 12.0846 44.2285 -0.00144794 0.00498543 -0.000796234 15
4355 127 C 9.97455 12.0825 45.5901 0.0018855 -0.00103315 0.00193396 15
4356 128 C 10.7457 11.4619 46.7443 0.00150716 0.00125762 0.00385393 15
4357 129 C 11.9888 12.2174 47.1532 -0.000663432 0.00122401 0.000104865 15
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4364 136 H 5.6917 16.8472 27.3468 0.011811 0.000247747 0.000221328 15
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4376 148 H 10.7652 21.2133 19.234 0.00410815 -0.0121794 0.0208306 15
4377 149 H 10.9116 21.26 16.7797 -0.00766219 -0.00311414 -0.000222681 15
4378 150 H 13.1418 17.017 15.6969 0.00569569 0.00608936 -0.0029138 15
4379 151 H 11.5809 19.2088 20.499 -0.00584683 0.00874228 0.00159125 15
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4381 153 H 16.1871 15.7458 14.5759 -0.00131244 -0.00389927 -0.0112308 15
4382 154 H 14.4324 16.2393 14.5289 0.00315599 0.00056582 0.00561652 15
4383 155 H 16.7481 17.3991 12.9329 0.0013021 -0.0089397 0.00499374 15
4384 156 H 15.2807 18.2715 13.0654 -0.0132707 -0.00196174 0.00745291 15
4385 157 H 13.9581 16.3784 11.9506 -0.00258725 0.0136665 -0.00732951 15
4386 158 H 15.4343 15.4155 12.0573 0.0123482 0.0114966 0.0159063 15
4387 159 H 16.5151 16.6318 10.3247 -0.0050099 -0.0131675 0.00229282 15
4388 160 H 15.2878 17.9288 10.3743 -0.00156239 0.00237421 0.000409627 15
4389 161 H 13.6863 16.622 9.32662 -0.000215487 0.0057633 -0.00151608 15
4390 162 H 14.2844 15.1053 9.82615 0.013803 -0.00733614 -0.000285965 15
4391 163 H 14.3787 15.2811 7.50289 -0.00676248 0.0100977 0.00138263 15
4392 164 H 16.0026 14.9664 8.14924 0.00190809 -0.000102211 0.00720258 15
4393 165 H 16.6573 17.2017 7.78606 -0.00203204 -0.0142308 0.00999088 15
4394 166 H 15.0171 17.8263 7.62699 -0.00347169 0.00158484 -0.000750497 15
4395 167 H 16.2436 15.8871 5.59786 -0.0135965 -0.00615214 -0.0127191 15
4396 168 H 16.4778 17.6352 5.47627 0.00846707 -0.0135069 -0.000363737 15
4397 169 H 14.015 17.9505 5.15751 -0.015685 -0.0041551 -0.00945618 15
4398 170 H 13.7837 16.2285 5.38416 0.00454131 -0.00452502 -0.00343876 15
4399 171 H 13.6083 16.5711 3.06472 0.00359915 0.00114797 -0.00343926 15
4400 172 H 15.1811 15.7798 3.33071 -0.00284843 0.00123769 -0.0147126 15
4401 173 H 16.3252 18.0361 3.10344 -0.00193934 -0.00266342 0.013443 15
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4409 181 H 14.943 13.9873 13.888 -0.00446473 0.005756 0.0121531 15
4410 182 H 15.009 11.7004 13.0454 -0.00032284 0.00610717 -0.00135977 15
4411 183 H 13.3272 11.7017 12.719 0.00921169 -0.0161779 0.00114708 15
4412 184 H 13.6313 13.1083 10.6894 0.00208325 0.00639522 -0.00413655 15
4413 185 H 15.2434 13.4759 11.0651 -0.00255383 0.00572711 -0.00582455 15
4414 186 H 15.6296 10.8932 10.884 -0.00210496 0.00712307 0.0113588 15
4415 187 H 13.9486 10.8679 10.2287 -0.0045458 0.00792459 0.00973988 15
4416 188 H 16.305 12.5068 9.02345 -0.000574338 0.00199301 -0.00439884 15
4417 189 H 15.9816 10.8449 8.55622 0.0103473 0.0015598 0.00591196 15
4418 190 H 13.7609 11.4342 7.70517 0.005142 -0.00557407 -0.00186511 15
4419 191 H 14.0159 13.0889 8.16277 0.0031737 0.00464037 -0.0112402 15
4420 192 H 16.0271 13.2916 6.63648 -0.0154448 0.0106292 0.010802 15
4421 193 H 15.9921 11.6128 6.2777 -0.00628988 -0.00311376 -0.00414528 15
4422 194 H 13.838 11.8653 5.21762 -0.00830042 0.00465707 0.00653443 15
4423 195 H 13.8575 13.6388 5.39857 0.0157489 0.0151749 -0.0152858 15
4424 196 H 16.0749 13.8323 4.29291 -0.0105875 0.0158626 -0.0231509 15
4425 197 H 16.0887 12.1365 4.01616 0.00104824 -0.00226098 0.0010773 15
4426 198 H 13.8593 13.9729 2.89867 -0.00138841 -0.000414425 0.00293845 15
4427 199 H 15.3451 13.5895 2.00684 -0.00161318 0.000937059 -0.00271077 15
4428 200 H 13.2553 11.5571 2.90314 0.00335302 -0.00139338 0.00714794 15
4429 201 H 13.5959 12.1789 1.26769 -0.00843846 0.000119295 0.00961501 15
4430 202 H 14.8235 11.2414 2.04179 -0.0020549 -0.000719902 -0.00954118 15
4431 203 H 10.9628 17.8287 14.6379 0.0113529 -0.00539842 0.00767164 15
4432 204 H 10.3871 19.4064 14.1344 -0.00839073 -0.00984629 0.0154211 15
4433 205 H 12.6631 19.6682 12.8371 -0.00453646 0.0113612 -0.00350962 15
4434 206 H 12.8402 17.9148 13.2983 -0.000365336 -0.0011628 -0.00235204 15
4435 207 H 10.9651 17.3198 11.8459 0.0132192 -0.00236981 -0.00369824 15
4436 208 H 10.2978 18.9439 11.8799 0.000571811 0.00331728 0.0182509 15
4437 209 H 12.1678 19.7991 10.5417 0.00415872 -0.00028158 0.00910915 15
4438 210 H 12.895 18.2385 10.4832 0.00085122 0.0121426 -0.0141048 15
4439 211 H 10.7376 17.2475 9.42619 -0.00137004 0.00373031 -0.00249018 15
4440 212 H 10.1202 18.8752 9.33738 -0.00297831 -0.00341591 -0.0149055 15
4441 213 H 12.1511 19.4915 7.83562 0.00203794 -0.0051575 -0.00581988 15
4442 214 H 12.5384 17.7681 7.79609 -0.000443499 0.00352035 -0.0071501 15
4443 215 H 10.0481 17.4226 6.95143 -0.0012509 0.000125963 0.00438181 15
4444 216 H 9.90445 19.1794 6.97227 -0.0108652 -0.00855339 -0.0111172 15
4445 217 H 11.8776 19.2696 5.30785 0.00309921 -0.00386811 0.0136909 15
4446 218 H 11.7865 17.4862 5.28827 0.00456751 0.002805 -0.00113903 15
4447 219 H 9.23804 17.8344 4.77925 0.0125087 -0.00488944 0.0110692 15
4448 220 H 9.7504 19.4437 4.26711 -0.0122985 -0.0062181 -0.00313492 15
4449 221 H 11.0427 16.903 3.12033 -0.00132618 -0.00504249 -0.00445444 15
4450 222 H 9.5631 17.582 2.45113 0.00201332 0.000731871 -0.0040308 15
4451 223 H 10.8816 19.7848 2.14338 -0.00614008 -0.00777478 -0.0162954 15
4452 224 H 12.3455 18.9999 2.71858 -0.00121307 -0.0084146 0.00444414 15
4453 225 H 12.2044 17.4436 0.72507 0.00499953 0.000488814 -0.00375707 15
4454 226 H 10.7118 18.3828 0.258386 0.00391836 0.00122768 -0.00382479 15
4455 227 H 12.3129 19.1506 0.307332 0.000279111 0.0020902 -0.00388313 15
4456 228 H 2.93848 18.3691 32.6463 -0.0106459 -0.00140604 -0.00796252 15
4457 229 H 2.47118 16.6731 32.4155 0.00727328 -0.00145285 -0.00451262 15
4458 230 H 3.44198 16.2922 34.8115 0.0139629 0.00553791 0.0104726 15
4459 231 H 3.46436 18.032 35.0646 -0.00996952 0.00479992 0.00069109 15
4460 232 H 0.974508 18.138 34.7914 -0.00580669 -0.00403717 -0.00998602 15
4461 233 H 0.927828 16.5033 34.3628 0.00802298 0.0118934 -0.0146307 15
4462 234 H 0.289543 16.951 36.6565 -0.00173887 0.00131026 0.00706276 15
4463 235 H 1.58719 15.7045 36.514 0.00777566 0.000126073 -0.00223862 15
4464 236 H 3.19777 17.517 37.2895 0.000734069 0.0014704 0.0213932 15
4465 237 H 1.79242 18.6021 37.4821 -0.00733333 -0.000991794 0.00495189 15
4466 238 H 0.827679 16.5424 38.8496 0.00228802 -0.00890682 -0.0127241 15
4467 239 H 2.40094 15.8805 38.8288 0.0104926 0.00484913 -0.0048025 15
4468 240 H 3.21169 18.0826 40.0251 0.000468505 0.00671999 0.0090498 15
4469 241 H 1.52856 18.553 40.1022 0.000629136 0.00360143 0.00601093 15
4470 242 H 1.06841 16.2971 41.299 -1.36537e-05 -0.000349982 0.025335 15
4471 243 H 2.81612 16.0389 41.2764 -0.00172881 0.000638345 0.00326766 15
4472 244 H 3.07566 18.2247 42.6104 -0.0071361 0.0066025 -0.00901171 15
4473 245 H 1.31591 18.214 42.7993 -0.00150202 -0.0023353 0.00946305 15
4474 246 H 1.45833 16.0001 43.8298 -0.00316407 -0.00209331 0.012155 15
4475 247 H 3.24291 15.9583 43.4879 -0.013519 -0.0156433 -0.00475764 15
4476 248 H 3.48951 17.9935 44.9835 0.00445983 -0.00739479 -0.0141753 15
4477 249 H 1.72594 17.8706 45.3353 -0.0118128 -0.00939053 -0.00888627 15
4478 250 H 3.92442 15.8223 45.9665 0.00549999 -0.00492875 0.0115089 15
4479 251 H 3.0843 16.8842 47.1144 -0.0147362 -0.0147241 0.00702487 15
4480 252 H 2.23148 15.5277 46.362 -0.00484882 0.0106988 0.0292175 15
4481 253 H 10.4598 20.8536 33.3343 0.00144137 -0.00274578 -0.00299057 15
4482 254 H 8.77703 21.4932 33.4699 0.00431963 0.00106667 -0.00822126 15
4483 255 H 8.60139 20.2409 35.6981 -0.000838142 0.00232935 0.00231562 15
4484 256 H 10.2761 19.8788 35.5264 0.00980809 0.0104779 0.00364396 15
4485 257 H 11.0577 22.0922 35.8616 -0.000297381 0.00401387 0.00194977 15
4486 258 H 9.59988 22.787 35.2002 -0.00529585 0.00381394 0.00124791 15
4487 259 H 9.86556 23.3582 37.5345 0.00209039 -0.00650297 0.0193166 15
4488 260 H 8.46662 22.3075 37.41 -0.00115764 -0.012836 -0.00959427 15
4489 261 H 9.62866 20.457 38.5004 -0.0138186 0.00568359 -0.0138989 15
4490 262 H 11.2353 21.1314 38.0472 -0.00310568 -0.0152078 0.00979682 15
4491 263 H 11.0649 21.483 40.3563 0.0131118 -0.00461616 -0.012628 15
4492 264 H 10.7471 23.0168 39.5179 0.00835608 -0.000540703 0.00143771 15
4493 265 H 9.20449 23.0786 41.1701 -0.00961437 0.000687427 -0.000745048 15
4494 266 H 8.21452 22.406 39.8593 0.00688722 0.0221294 -0.00456316 15
4495 267 H 7.6785 21.2625 41.8757 0.0060344 0.00753779 -0.00188552 15
4496 268 H 8.50731 20.1293 40.7965 -0.0020837 0.000173031 -0.00229695 15
4497 269 H 9.20897 19.8266 43.15 0.00310437 0.00134497 0.00245008 15
4498 270 H 10.5874 20.3235 42.2584 -0.004657 -0.00402686 -0.00139708 15
4499 271 H 10.4143 22.6346 43.0957 -0.0023367 0.00221088 -0.000473325 15
4500 272 H 8.87128 22.2936 43.8475 0.00540269 0.00567572 0.00784332 15
4501 273 H 11.3668 20.5889 44.521 -0.00199474 -0.00304638 0.000982036 15
4502 274 H 11.1677 22.1753 45.1917 0.00338798 -0.000276664 0.00222731 15
4503 275 H 8.95098 21.4789 46.2994 -0.00395333 -2.38956e-06 -0.00167909 15
4504 276 H 9.12127 19.8516 45.5756 -0.00714278 0.00172428 0.00458867 15
4505 277 H 10.215 20.4051 46.8086 0.0057751 0.0058275 -0.00513309 15
4506 278 H 9.39334 12.5559 33.7203 0.00374959 -0.00248553 0.00184264 15
4507 279 H 10.6091 13.8492 34.2039 -0.00106469 -0.00217912 -0.00721819 15
4508 280 H 8.00848 13.0228 35.5231 -0.00315977 0.007631 0.00292663 15
4509 281 H 8.78588 14.5385 35.9075 -0.0164416 -0.00344223 -1.14799e-05 15
4510 282 H 10.7975 13.2564 36.7489 0.00133941 0.00657526 -0.0119895 15
4511 283 H 9.98196 11.7389 36.3438 -0.0129949 0.00231653 -0.00366477 15
4512 284 H 8.41365 12.1297 38.0722 0.0196314 -0.0200265 -0.00214531 15
4513 285 H 8.65522 13.9054 38.0789 -0.0178325 -0.011398 0.00837241 15
4514 286 H 10.8306 13.6814 39.3147 0.00829764 -0.00904298 0.0113701 15
4515 287 H 10.8171 11.9517 38.9732 0.00140048 0.00389006 -0.0106104 15
4516 288 H 8.77571 11.884 40.6309 0.000826707 0.00180387 0.00884275 15
4517 289 H 8.86345 13.6123 40.716 0.0122159 0.00875226 -0.000782836 15
4518 290 H 11.0772 13.5005 41.8559 -0.00517097 0.00350435 -0.0225982 15
4519 291 H 11.2075 11.7259 41.5693 0.00637735 0.00589713 -0.0123273 15
4520 292 H 9.16133 11.5351 43.0202 -0.00104985 0.000596587 -0.00609033 15
4521 293 H 9.29562 13.3674 43.2726 -0.00492497 0.00128848 0.00352084 15
4522 294 H 11.52 12.8587 44.2846 -0.00298652 0.0062258 0.00341146 15
4523 295 H 11.2152 11.1264 43.9756 0.0102007 0.0148705 -0.0167208 15
4524 296 H 9.01064 11.5642 45.5152 -0.00306367 0.0103846 -0.0133438 15
4525 297 H 9.72331 13.1356 45.7674 -0.00394702 -0.00361934 0.00891681 15
4526 298 H 10.9649 10.4169 46.493 -0.0104459 -0.00148732 0.00483783 15
4527 299 H 10.1051 11.4873 47.6344 -0.0052282 0.00776837 -0.00119608 15
4528 300 H 12.8016 12.1905 46.4169 -0.00456108 -0.0116455 -0.00371296 15
4529 301 H 12.3769 11.7824 48.0825 0.00203414 -0.00357651 -0.00326725 15
4530 302 H 11.6831 13.2515 47.3547 0.0100518 0.00536335 -0.00499726 15
4531 1 C 13.4746 26.9708 31.5093 0.0022393 -0.00392606 0.00365369 16
4532 2 C 13.6073 26.9206 30.1203 0.00146479 0.00256961 -0.000386721 16
4533 3 C 13.1473 25.81 29.4053 -0.0011116 -0.00244741 0.00248079 16
4534 4 C 12.4682 24.8017 30.0916 -0.00239286 0.00278696 -0.000453234 16
4535 5 C 12.2859 24.8942 31.5064 -0.0015871 0.00140196 -7.21724e-05 16
4536 6 C 12.7469 26.0283 32.2071 -0.00232207 0.00253065 -0.000394978 16
4537 7 C 7.79149 23.8633 30.8603 0.00284848 0.000109694 -0.000384136 16
4538 8 C 8.01029 23.8139 29.473 -0.00602316 -0.00140348 0.000806918 16
4539 9 C 9.28598 23.7267 28.9967 0.000994021 0.000891281 -0.00190886 16
4540 10 C 10.3849 23.6598 29.8609 -0.0017074 -0.00150485 -0.000404317 16
4541 11 C 10.18 23.7365 31.2862 0.00109897 -0.00367321 0.00161141 16
4542 12 C 8.84356 23.7717 31.7917 -0.00231219 0.00225327 -0.00290426 16
4543 13 C 13.4105 20.2649 31.6205 0.00108322 0.00227592 0.00246695 16
4544 14 C 13.5093 20.2344 30.2404 0.000407096 0.00273381 0.000549784 16
4545 15 C 12.9153 21.2428 29.5104 0.00105107 0.00379118 -0.000437004 16
4546 16 C 12.329 22.3388 30.1761 0.00334685 0.00422652 -0.000446896 16
4547 17 C 11.8384 23.566 29.4147 0.00246551 0.00367448 0.00358114 16
4548 18 O 12.7686 21.2234 33.7146 0.000897665 8.19447e-05 0.00272192 16
4549 19 O 8.56519 23.8696 33.1876 0.00184328 -0.000345747 -0.00134551 16
4550 20 O 12.6368 26.1651 33.6162 0.00286932 0.00294621 0.00136174 16
4551 21 C 12.7816 21.3097 32.3296 -0.00139639 -0.000181538 -0.00146091 16
4552 22 C 12.1305 23.5255 27.9671 -0.00289653 0.0012336 0.00306129 16
4553 23 C 12.5884 23.4396 26.8409 0.00356917 0.001276 0.00172882 16
4554 24 C 13.3494 23.3666 25.6301 0.00354148 0.00023898 0.00011509 16
4555 25 C 14.5066 22.5171 25.5397 7.86989e-05 0.00224458 -0.000793263 16
4556 26 C 15.296 22.5189 24.3743 0.00162311 -0.00244776 0.00097576 16
4557 27 C 15.059 23.417 23.3427 0.0016074 -0.00139416 -0.00140028 16
4558 28 C 13.9464 24.2777 23.4551 0.00117759 0.00158051 0.00835638 16
4559 29 C 13.0611 24.2611 24.5807 -0.00133158 -0.00244508 -0.000407116 16
4560 30 C 15.8598 23.5134 22.1674 -0.000108703 0.000656306 0.000179121 16
4561 31 C 16.3466 23.5837 21.0542 -0.00086046 -0.000477042 -0.00205108 16
4562 32 C 14.8362 20.4077 18.4791 0.00162146 0.000470178 0.000846719 16
4563 33 C 14.9847 20.527 17.0807 -0.00259383 -0.000814082 -1.10474e-05 16
4564 34 C 15.6446 21.6583 16.5178 -0.00021873 -0.00236286 0.00294549 16
4565 35 C 16.1739 22.6069 17.4012 0.000454088 -6.62108e-05 0.00190416 16
4566 36 C 16.0671 22.4924 18.8172 0.000667562 0.00163935 -0.000949437 16
4567 37 C 15.3422 21.3988 19.3204 0.00430198 -0.000875004 -0.00325023 16
4568 38 C 16.6268 23.6868 19.6379 0.000736082 0.00199598 0.00184099 16
4569 39 C 20.5101 23.7995 19.483 -0.00214827 0.00156586 -0.00150754 16
4570 40 C 20.6544 23.8361 18.0788 -0.0029043 -0.00210169 0.00354391 16
4571 41 C 19.5402 23.7693 17.2137 0.00298222 -0.00287353 -0.00200871 16
4572 42 C 18.2758 23.7626 17.7796 0.00210895 0.00253794 0.00102233 16
4573 43 C 18.1112 23.7352 19.198 0.00365646 0.00159581 -5.42917e-05 16
4574 44 C 19.2219 23.7334 20.0347 0.00341655 -0.00523588 0.00458989 16
4575 45 C 15.2328 27.2966 19.0086 -0.00155475 0.000882018 0.00102246 16
4576 46 C 15.5029 27.381 17.6339 0.000420385 -0.00126033 -0.00445283 16
4577 47 C 15.9886 26.266 16.9244 0.00369364 -0.00166651 0.000467371 16
4578 48 C 16.2915 25.0829 17.6162 -0.00122279 0.00194965 -0.00195678 16
4579 49 C 16.9749 23.8662 17.0058 0.00185693 0.00014489 -0.00337299 16
4580 50 C 16.08 25.0059 19.0081 -0.00133112 -0.00300257 0.00103763 16
4581 51 C 15.6059 26.1322 19.7231 0.00266763 -0.000563133 0.000458784 16
4582 52 O 19.7574 23.8039 15.8008 -0.00108567 0.0013521 -0.00479145 16
4583 53 O 15.7528 21.8776 15.1425 0.00213728 -0.000608602 0.00197051 16
4584 54 O 16.2557 26.3889 15.5907 0.00130363 -0.000209892 -0.00148939 16
4585 55 C 11.5188 23.6722 32.0947 -0.00170003 0.000878885 0.00167116 16
4586 56 C 12.2194 22.3956 31.5915 -0.000286388 -0.00366103 -0.00389054 16
4587 57 C 19.5435 22.6643 14.9884 -0.00138061 0.000375239 0.00467313 16
4588 58 C 18.6609 22.9173 13.7673 -0.000545186 1.76983e-06 0.00259447 16
4589 59 C 19.3572 23.2226 12.4369 -0.00121001 -0.000399438 0.00264435 16
4590 60 C 18.3659 23.0133 11.2425 -0.00156376 0.00305326 -0.00564247 16
4591 61 C 19.0772 23.2978 9.90159 -0.00332847 0.00229379 0.00257854 16
4592 62 C 18.1215 23.1589 8.67831 -0.00611337 0.0022 0.00041064 16
4593 63 C 18.8614 23.5566 7.38972 1.01336e-05 0.00048709 -0.0037098 16
4594 64 C 17.9666 23.4416 6.1851 -0.00285653 -0.00172314 0.00455223 16
4595 65 C 18.6223 23.9365 4.89587 0.00073234 0.00208823 0.00036002 16
4596 66 C 17.7729 23.6876 3.65913 0.00077561 0.0024405 0.00272488 16
4597 67 C 18.3388 24.3265 2.39608 0.000987513 0.000254116 -0.0020128 16
4598 68 C 19.6628 23.6858 1.93587 0.00167839 0.00213179 0.00056991 16
4599 69 F 16.336 21.6221 24.3019 -0.00110418 0.00196583 -0.00108079 16
4600 70 C 15.2648 20.9789 14.1151 -0.000551646 -0.00439072 -0.00678101 16
4601 71 C 15.2022 21.7182 12.7716 -0.00170311 -0.00309145 0.000380351 16
4602 72 C 15.2278 20.7946 11.5363 -0.000840158 0.00115272 -0.0016432 16
4603 73 C 15.0801 21.5436 10.2154 0.00194484 0.00117874 0.00345056 16
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4619 89 C 18.4931 28.175 6.77915 0.0073363 0.00114534 0.0034957 16
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4793 263 H 12.7419 27.3982 40.8366 0.00158234 -0.00334024 0.00866527 16
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4801 271 H 15.2628 29.3766 45.3754 -0.00419354 -0.00531394 0.00895582 16
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4830 300 H 12.6087 19.0708 47.8393 0.0169219 0.00822492 0.002293 16
4831 301 H 12.1197 18.839 46.1694 0.0020719 0.00392003 -0.00867356 16
4832 302 H 12.554 20.4926 46.731 0.0225842 0.00801463 -0.000447256 16
4833 1 C 17.5486 20.172 31.1139 -0.000895287 0.00109485 0.000765715 17
4834 2 C 17.6329 20.1019 29.7529 -0.00278722 0.00523045 0.00234823 17
4835 3 C 17.0731 19.0393 29.0677 -0.00189263 0.00513204 -0.0050808 17
4836 4 C 16.3893 18.0182 29.7598 -0.00303641 0.00241804 -0.00234319 17
4837 5 C 16.2357 18.1136 31.1679 0.00342893 0.00359465 -0.00368369 17
4838 6 C 16.8445 19.1993 31.8525 -0.00153191 0.00103207 0.000386199 17
4839 7 C 11.7297 17.0521 30.6703 -0.00516882 0.0040792 -3.28443e-05 17
4840 8 C 11.8931 16.9129 29.2769 -0.00177932 0.00555433 8.15115e-05 17
4841 9 C 13.1944 16.8069 28.7354 0.000404928 0.00263176 0.00059279 17
4842 10 C 14.2765 16.8109 29.6193 0.00132934 0.00268268 0.00255218 17
4843 11 C 14.0915 16.8992 31.0207 0.00093241 0.0018949 -0.00380021 17
4844 12 C 12.8135 17.0365 31.5577 -0.0035782 0.00026224 0.00102419 17
4845 13 C 17.5133 13.5697 31.4488 -0.00509805 -0.00419937 0.00320053 17
4846 14 C 17.697 13.5875 30.0729 0.00226062 0.00468009 -0.00130287 17
4847 15 C 17.1085 14.5761 29.287 0.00326485 0.000515024 -0.00778204 17
4848 16 C 16.411 15.6292 29.9185 -0.00085731 -0.00519896 -0.000893198 17
4849 17 C 15.7549 16.7803 29.189 -0.000932847 -0.000172969 0.00152292 17
4850 18 O 16.6615 14.528 33.4912 -0.00326584 -0.00120102 8.15217e-06 17
4851 19 O 12.5984 17.14 32.9234 -0.00225946 -0.00186836 0.000578403 17
4852 20 O 16.7233 19.3524 33.2556 0.000662712 -0.00177136 -0.000707742 17
4853 21 C 16.8272 14.641 32.134 0.00414426 -0.0025723 0.00155183 17
4854 22 C 16.0417 16.6942 27.7534 -0.00478271 -0.00116723 0.000953582 17
4855 23 C 16.5061 16.6722 26.6367 0.00249313 0.000488866 -0.00385704 17
4856 24 C 17.2461 16.6728 25.4259 0.00234209 0.00180692 0.000785804 17
4857 25 C 17.7543 15.4599 24.9324 0.00550815 0.001511 -0.000183553 17
4858 26 C 18.7632 15.503 23.9549 0.00160743 -0.000215007 0.00017591 17
4859 27 C 19.1937 16.716 23.4419 -0.0049355 -0.000800065 -0.000630462 17
4860 28 C 18.5965 17.9055 23.8677 0.00478922 0.0010328 -0.00204654 17
4861 29 C 17.6465 17.8989 24.8969 0.00454489 0.000113088 -0.00192428 17
4862 30 C 20.0094 16.7738 22.2852 -0.0047892 -0.00408325 -0.00322906 17
4863 31 C 20.57 16.8652 21.2066 0.00349692 -0.000388382 0.00299207 17
4864 32 C 19.1207 13.6392 18.7856 0.00236066 0.00106499 -0.0040593 17
4865 33 C 19.2514 13.6831 17.4087 0.00250127 -0.0015883 -0.00157171 17
4866 34 C 19.7945 14.8238 16.7563 0.00359484 0.00148296 0.00161398 17
4867 35 C 20.3261 15.8642 17.5779 0.00427298 0.0089356 -0.00199221 17
4868 36 C 20.2357 15.7747 19.0021 -0.00415094 -0.000184065 -0.000822856 17
4869 37 C 19.6116 14.6649 19.5929 -0.000935137 -0.00152974 -0.00108434 17
4870 38 C 20.8457 16.9648 19.7596 -0.000432921 0.000151556 -0.00456217 17
4871 39 C 24.6727 16.7967 19.2677 -0.0034227 -0.00274256 0.00250164 17
4872 40 C 24.7423 16.8355 17.8684 0.00164292 -0.00457653 -0.000743632 17
4873 41 C 23.5404 16.9846 17.1082 -0.00512546 0.000424392 0.00287947 17
4874 42 C 22.3492 17.1052 17.7967 -0.000437825 -0.000671532 -0.00449205 17
4875 43 C 22.2788 17.0525 19.2162 0.00414568 0.00250497 0.00330728 17
4876 44 C 23.4663 16.9468 19.9718 -0.00136749 -0.00215101 -0.00299804 17
4877 45 C 18.7819 20.227 19.2727 -0.00152158 0.00256398 0.00388448 17
4878 46 C 18.8759 20.3238 17.8788 -0.000645611 0.000767027 -0.000185456 17
4879 47 C 19.5672 19.3341 17.1274 0.00631404 0.00300781 -0.000992252 17
4880 48 C 20.1866 18.2658 17.8045 -0.00218451 0.00565436 -0.000753314 17
4881 49 C 20.9942 17.1675 17.1116 0.0018875 -0.00289315 -0.00104322 17
4882 50 C 20.0587 18.157 19.2176 0.0016854 -0.00398284 -0.00429833 17
4883 51 C 19.3432 19.1252 19.9388 -0.00269394 -0.00118611 -0.0020867 17
4884 52 O 23.5322 16.9598 15.7473 -0.00320755 0.00287359 -0.00225346 17
4885 53 O 19.8984 14.9427 15.3766 0.00234556 0.00368371 8.13768e-05 17
4886 54 O 19.7311 19.4295 15.7794 0.0019232 -0.00291487 -0.00169039 17
4887 55 C 15.4842 16.9187 31.7919 0.00156804 3.84303e-05 -0.00231195 17
4888 56 C 16.2669 15.6659 31.3304 -0.000874741 0.00123639 -0.00241271 17
4889 57 C 24.4836 17.6592 15.003 -0.00355111 -0.00210036 6.96062e-05 17
4890 58 C 24.0731 17.7654 13.5076 0.00045707 -0.00382924 -0.00603811 17
4891 59 C 22.8702 16.9317 13.0501 -0.00339495 -0.00278469 0.00241561 17
4892 60 C 22.3452 17.2366 11.6257 -0.00211077 0.00362729 0.00212719 17
4893 61 C 23.1084 16.6531 10.4572 0.00331725 -0.00253239 -0.00117173 17
4894 62 C 22.7781 17.4011 9.13245 -0.00367309 0.00126584 -2.536e-06 17
4895 63 C 23.161 16.6249 7.92148 0.00215517 0.000383661 9.16557e-05 17
4896 64 C 22.9856 17.4214 6.61253 0.00379073 -0.00208852 -0.00565391 17
4897 65 C 23.0423 16.5797 5.2887 -0.00149571 -0.00182673 -0.00192267 17
4898 66 C 23.1727 17.4077 3.98606 0.00147003 0.00363871 0.000172755 17
4899 67 C 23.4086 16.5696 2.68137 0.00436276 0.00448185 -0.00212042 17
4900 68 C 22.0928 16.3098 1.95421 -0.000439311 -0.00127774 -0.000350618 17
4901 69 F 19.2071 14.3397 23.4293 -0.00120516 0.00166271 -0.0010006 17
4902 70 C 21.1269 14.5304 14.7114 -0.00161434 0.000812145 2.85998e-05 17
4903 71 C 21.1677 12.9814 14.5821 0.00258539 0.000499129 -0.002901 17
4904 72 C 22.3063 12.52 13.6619 -0.000678308 -0.00433678 0.000354479 17
4905 73 C 22.0759 12.5051 12.1198 -0.000367078 0.00217113 0.00604895 17
4906 74 C 23.0696 11.6258 11.3676 -0.00274723 0.00196524 -6.84731e-05 17
4907 75 C 22.7546 11.3446 9.87921 -3.18359e-05 0.00337606 0.00115301 17
4908 76 C 23.1288 12.4102 8.8497 0.00360134 -0.00091123 0.00367181 17
4909 77 C 22.8246 11.9076 7.44071 -0.000709728 -0.000530346 -0.000218506 17
4910 78 C 23.1975 12.8131 6.24458 -0.0027639 0.000302726 -0.00301169 17
4911 79 C 22.57 12.2736 4.92637 0.00153332 -0.00659144 0.00388333 17
4912 80 C 22.8546 13.1394 3.67984 -0.00389415 0.00181222 -0.00291608 17
4913 81 C 22.3342 12.492 2.38553 -0.00118125 -0.00205809 0.000596881 17
4914 82 C 18.5367 19.1586 15.0185 -0.00114649 0.000507111 -0.00291686 17
4915 83 C 18.7924 19.4544 13.5251 -0.00133693 0.0015898 -0.00407613 17
4916 84 C 19.2763 18.2589 12.7722 -0.00395446 0.00149019 0.000302698 17
4917 85 C 18.823 18.2579 11.2985 0.00166203 0.00439084 0.000862614 17
4918 86 C 19.5803 19.2068 10.3577 0.00470631 -0.0018312 0.00584219 17
4919 87 C 18.8102 19.2401 9.00903 0.00120107 0.0026265 -0.00212582 17
4920 88 C 19.6447 19.7531 7.82906 -0.00255534 0.00107266 0.00090989 17
4921 89 C 18.9622 19.5783 6.45218 0.00121525 -0.000974054 0.00331476 17
4922 90 C 19.8512 20.1337 5.3549 -0.00535607 -0.00461567 -0.00149796 17
4923 91 C 19.2117 20.1767 3.92602 -0.00192078 0.00199664 -0.00121205 17
4924 92 C 19.1793 18.7965 3.2473 0.00217363 -0.000327488 0.000230225 17
4925 93 C 18.7228 18.9195 1.76031 0.00213024 -7.81853e-05 0.00236944 17
4926 94 C 11.2475 17.2199 33.409 0.00280716 0.00310226 -0.00633438 17
4927 95 C 11.0899 17.0056 34.9125 -0.0026242 -0.000694957 0.0035469 17
4928 96 C 9.67828 17.1105 35.4708 0.00132039 -0.00125347 -9.64321e-05 17
4929 97 C 9.56934 16.9193 37.0178 3.92366e-05 0.00067037 0.00233261 17
4930 98 C 10.4774 17.8456 37.85 -0.00034673 0.00102672 -0.00154287 17
4931 99 C 10.1701 17.8866 39.3848 0.000469182 0.00268838 0.00208888 17
4932 100 C 10.0432 16.5223 40.0317 0.00153982 0.00463532 0.00322883 17
4933 101 C 9.91069 16.5504 41.5451 0.00525998 -0.00406816 0.000268937 17
4934 102 C 11.1021 17.0632 42.3351 -0.00214549 5.41648e-05 -0.0019714 17
4935 103 C 11.2018 16.4376 43.7755 -0.00215159 0.00192693 0.00289714 17
4936 104 C 10.2467 17.0761 44.7692 0.00147781 -0.00112151 -0.00123435 17
4937 105 C 10.2471 16.5966 46.2604 -0.000871551 -0.0022191 0.00240873 17
4938 106 C 17.3871 20.4973 33.8826 0.00711965 0.00383373 0.00161606 17
4939 107 C 17.095 20.6466 35.3901 0.00248332 0.000789743 0.00250254 17
4940 108 C 17.794 21.8545 36.0245 0.000524046 0.00186718 -0.000277555 17
4941 109 C 17.4863 22.0745 37.555 4.10373e-05 0.00388417 -0.00106476 17
4942 110 C 17.9041 20.9026 38.4823 0.00187031 -0.00299678 0.00161783 17
4943 111 C 18.3094 21.2666 39.8913 0.00171807 0.00160163 0.000487646 17
4944 112 C 17.3544 22.1445 40.7243 0.000280206 0.00566439 -0.000688435 17
4945 113 C 17.8489 22.3771 42.158 -0.000664028 -0.00152283 0.0021097 17
4946 114 C 18.1168 21.1446 43.026 -0.0019803 0.00302881 -0.00170537 17
4947 115 C 18.5614 21.4777 44.453 0.000948516 -0.00363814 0.00177221 17
4948 116 C 17.4848 22.1304 45.3436 0.000775051 -0.0024065 0.00378535 17
4949 117 C 17.9662 22.227 46.8183 -0.00224534 -0.000862334 -0.00158391 17
4950 118 C 17.4272 13.5897 34.2722 -0.00489138 0.00333752 -0.0039461 17
4951 119 C 16.8769 13.5167 35.7163 -0.0026626 0.00202116 0.00339256 17
4952 120 C 17.7567 12.7461 36.7395 -0.00351783 -0.0056124 0.00309419 17
4953 121 C 17.1316 12.687 38.1221 0.000136003 0.00277507 0.000401213 17
4954 122 C 18.1386 12.4219 39.2573 -0.00163712 -0.000235145 0.000967195 17
4955 123 C 17.357 12.218 40.5786 -0.0016772 0.000830609 0.0010611 17
4956 124 C 18.1251 12.5504 41.8837 0.00217247 0.00390307 -0.000172355 17
4957 125 C 17.3984 12.1134 43.1543 -0.00193392 0.00188992 0.000691861 17
4958 126 C 18.1413 12.6824 44.4074 0.000346807 -1.64909e-05 0.00116102 17
4959 127 C 17.5835 12.0698 45.6646 -0.00225544 -0.00436658 -0.000136047 17
4960 128 C 18.1572 12.6917 46.9387 -0.00247656 -0.00125376 0.00106181 17
4961 129 C 17.6831 11.8921 48.1622 -0.00239883 -0.00162878 -0.000980397 17
4962 130 F 17.4335 14.2684 25.4961 -0.00125731 0.0011933 0.00132676 17
4963 131 H 18.0626 21.0212 31.5544 0.00290031 0.0030317 -0.00736113 17
4964 132 H 18.1211 20.8833 29.1781 -0.00974086 0.00923955 0.00188946 17
4965 133 H 17.0195 19.066 27.9833 -6.70337e-05 -0.00015766 -0.00529814 17
4966 134 H 10.7003 17.201 30.9828 -0.00853187 -0.0183789 -0.000445609 17
4967 135 H 11.0441 16.8876 28.6001 -0.00262528 0.000922565 0.00131287 17
4968 136 H 13.3446 16.7658 27.6606 -0.00427645 -0.00907386 0.000392367 17
4969 137 H 17.9318 12.726 31.9896 0.00737811 -0.00110526 -0.00164032 17
4970 138 H 18.2171 12.7762 29.5722 -0.00470694 0.0022437 -0.0046035 17
4971 139 H 17.2484 14.5261 28.2112 -0.00804129 0.00907378 -0.00965047 17
4972 140 H 18.8878 18.8501 23.418 -0.00219883 -0.00311531 -0.0152837 17
4973 141 H 17.2144 18.8017 25.3184 -0.00600654 -0.00297398 -0.00610273 17
4974 142 H 18.7379 12.7263 19.2321 -0.0152398 0.0115563 0.00220139 17
4975 143 H 18.8626 12.8855 16.7824 -0.00394479 0.00862693 -0.0106424 17
4976 144 H 19.546 14.5487 20.6707 -0.00119249 0.00380597 -0.000525165 17
4977 145 H 25.601 16.8128 19.8311 0.00308446 -0.0133799 -0.00796064 17
4978 146 H 25.7193 16.7074 17.4116 0.00664966 0.014148 0.00470993 17
4979 147 H 23.3898 16.9085 21.0545 0.0149546 0.00155183 -0.0017504 17
4980 148 H 18.19 20.9584 19.815 -0.000157653 0.00277492 0.00508393 17
4981 149 H 18.3881 21.1511 17.3721 -0.00527736 0.00891112 0.0175777 17
4982 150 H 21.0679 17.247 16.02 -0.0040721 -0.0218015 -0.00283609 17
4983 151 H 19.2327 19.0867 21.0184 -0.00238267 -0.0147981 -0.00255119 17
4984 152 H 15.3467 16.9761 32.8787 -0.00136374 -0.00432492 -0.00244727 17
4985 153 H 24.5403 18.6641 15.4393 0.00877522 -0.00514346 0.005473 17
4986 154 H 25.4774 17.2066 15.1079 -0.0068693 -0.012508 -0.0135241 17
4987 155 H 24.9356 17.6074 12.8483 0.00891921 0.0039203 0.00316228 17
4988 156 H 23.7994 18.8023 13.2766 -0.00038495 -0.000800782 0.00869043 17
4989 157 H 22.0319 17.1162 13.7332 0.000307837 -0.000324804 0.00628595 17
4990 158 H 23.0749 15.8594 13.1588 -0.00879117 -0.00327663 0.00779451 17
4991 159 H 22.2587 18.329 11.5754 0.00560575 0.00406999 -0.00131558 17
4992 160 H 21.3328 16.8207 11.5519 -3.86037e-05 -0.00154273 0.00278705 17
4993 161 H 22.8106 15.6047 10.3331 -0.00398078 -0.00202864 0.0122099 17
4994 162 H 24.1842 16.6059 10.6667 0.00601947 0.00172355 -0.014152 17
4995 163 H 23.307 18.3621 9.12576 0.00117608 -0.00140235 -9.07923e-05 17
4996 164 H 21.7079 17.639 9.09195 -0.00284966 0.00544717 0.00248725 17
4997 165 H 22.539 15.7264 7.82504 0.00691738 -0.00340931 0.00485896 17
4998 166 H 24.2191 16.3404 7.97503 0.00102971 -0.002192 0.00838957 17
4999 167 H 23.7686 18.1864 6.54162 -0.00643695 0.00965322 0.00828777 17
5000 168 H 22.0477 17.9899 6.59189 0.00285759 -0.00339524 0.00140409 17
5001 169 H 22.1922 15.888 5.24021 -0.00271522 -0.00033344 -0.00184648 17
5002 170 H 23.9718 15.9995 5.34284 -0.0026395 -0.00359287 -0.00128551 17
5003 171 H 24.0377 18.0718 4.10497 0.00566904 -0.00177892 -7.85943e-05 17
5004 172 H 22.2772 18.0281 3.8574 0.000778566 -0.000729967 -0.0161757 17
5005 173 H 23.9099 15.6251 2.92643 -0.0056115 -0.00102911 -0.00297392 17
5006 174 H 24.0883 17.1082 2.00949 0.00483729 0.00396181 -0.00205787 17
5007 175 H 21.4172 15.7397 2.60384 0.00871534 0.00193205 0.0119954 17
5008 176 H 22.2995 15.6801 1.08004 0.0102381 -0.00748354 0.00662988 17
5009 177 H 21.6627 17.2656 1.63052 -0.00520774 -0.00215295 0.00342138 17
5010 178 H 21.0457 14.9238 13.6906 -0.0131711 0.00798861 0.00369818 17
5011 179 H 22.0421 14.8995 15.1905 -0.00824507 0.00340289 0.0106771 17
5012 180 H 21.3157 12.4967 15.555 -0.0126897 0.000519644 -0.000567174 17
5013 181 H 20.2274 12.5726 14.192 0.000263087 -0.00670458 0.010254 17
5014 182 H 23.1541 13.1827 13.8752 -0.0042419 0.000892909 -0.00177153 17
5015 183 H 22.6669 11.5303 13.9682 0.00650928 -0.00563973 -0.0122516 17
5016 184 H 21.0675 12.1169 11.931 0.00194726 -0.00265324 0.00367796 17
5017 185 H 22.0671 13.5374 11.7485 0.00527794 0.000425292 0.00109073 17
5018 186 H 24.0501 12.1173 11.3445 0.00141857 -0.00628659 0.00168865 17
5019 187 H 23.1349 10.6634 11.8901 0.0111394 -0.000368172 -0.00611554 17
5020 188 H 23.3004 10.4231 9.64179 -0.00897902 0.00152881 -0.0122021 17
5021 189 H 21.6856 11.1093 9.80657 0.00197093 -0.00351426 -0.00588014 17
5022 190 H 22.5506 13.337 8.94935 0.0087877 0.00200837 0.00647803 17
5023 191 H 24.2089 12.6008 8.87155 0.0024623 0.00358573 0.019318 17
5024 192 H 23.2899 10.9301 7.26356 0.00497897 0.0023091 -0.000949927 17
5025 193 H 21.7403 11.7531 7.37931 0.00181239 -0.0163411 -0.00495209 17
5026 194 H 22.7546 13.7863 6.48967 0.00935554 0.0042551 0.00317254 17
5027 195 H 24.2835 12.9301 6.14258 -0.00435525 0.00689585 -0.0124384 17
5028 196 H 22.9427 11.2684 4.6936 0.0270769 0.00518019 -0.00617326 17
5029 197 H 21.4816 12.183 5.02898 0.00220922 -0.00367342 0.0135641 17
5030 198 H 22.3628 14.0993 3.88012 0.00604994 0.00407321 0.0107937 17
5031 199 H 23.9264 13.3365 3.55405 -0.00312048 -0.00404918 -0.00548201 17
5032 200 H 22.3287 13.1866 1.53652 -0.00578233 -0.0011466 0.00137467 17
5033 201 H 23.0445 11.7037 2.10733 0.00835456 0.00867144 -0.00560504 17
5034 202 H 21.3076 12.1459 2.5584 -0.0053425 0.0128107 0.00584876 17
5035 203 H 18.2155 18.1213 15.174 0.00656841 -0.00155407 -0.000737373 17
5036 204 H 17.7094 19.8016 15.3433 -0.0102657 -0.0121667 -0.00103298 17
5037 205 H 17.8484 19.7818 13.0721 0.00184534 0.00807518 -0.00600638 17
5038 206 H 19.54 20.2505 13.4216 -0.00011665 0.000184808 -0.006067 17
5039 207 H 20.3559 18.1539 12.9359 -0.00395837 0.00504817 0.00256777 17
5040 208 H 18.9511 17.3132 13.2232 -0.0187823 0.00534097 -0.00240469 17
5041 209 H 18.8533 17.2396 10.8915 -0.000496831 0.00393666 0.00184117 17
5042 210 H 17.7837 18.6087 11.3174 -0.003642 -0.0112254 -0.00338573 17
5043 211 H 19.6131 20.2 10.8223 0.00311402 -0.00317539 0.00884425 17
5044 212 H 20.5785 18.786 10.1846 0.00526157 0.00564462 -0.0091703 17
5045 213 H 18.4036 18.2576 8.73934 0.00496179 0.000305369 0.00069517 17
5046 214 H 17.9286 19.8911 9.0572 0.00104242 0.00304624 -0.0103193 17
5047 215 H 19.8733 20.807 8.03007 -0.00599084 0.00203726 -0.000241775 17
5048 216 H 20.5968 19.2082 7.8259 -0.00335867 -0.00042041 0.0144284 17
5049 217 H 18.7165 18.5175 6.31844 0.0199098 -0.0052233 0.00290344 17
5050 218 H 17.9832 20.073 6.47033 0.000819651 -0.00163619 -3.5967e-05 17
5051 219 H 20.0402 21.1842 5.60781 -0.0204106 0.00102396 -0.0135157 17
5052 220 H 20.7938 19.574 5.31386 -0.00631556 -0.00643314 0.00130344 17
5053 221 H 18.1617 20.4894 3.98222 -0.00167152 0.00365808 -0.00589668 17
5054 222 H 19.7939 20.8446 3.27922 -0.0131918 -0.00482781 -0.0184113 17
5055 223 H 20.1748 18.3359 3.23187 0.00479842 0.00539789 -0.00128815 17
5056 224 H 18.5272 18.1169 3.80973 0.00825414 0.00635833 0.0153547 17
5057 225 H 17.8569 19.5831 1.6454 0.00750182 0.00789623 0.0079548 17
5058 226 H 19.5503 19.2919 1.14396 0.00440946 -0.0219706 -0.00784399 17
5059 227 H 18.471 17.9438 1.32661 0.00128862 0.00434497 -0.00710924 17
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5062 230 H 11.4068 15.9847 35.1588 -0.0125772 -0.00211263 0.0105013 17
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5064 232 H 9.24448 18.0814 35.2015 0.000855226 0.00101664 0.0088449 17
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5119 287 H 18.7649 11.5492 39.0346 -0.00806983 7.94872e-05 -0.0183619 17
5120 288 H 16.9175 11.2155 40.6515 0.00237597 -0.000135025 0.0123081 17
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5136 2 C 21.0938 27.0254 29.9824 -0.00173783 -0.00191224 -0.00594019 18
5137 3 C 20.5696 25.8937 29.3802 0.00162308 0.00157841 0.000286807 18
5138 4 C 20.0865 24.8586 30.1554 8.27861e-05 0.00285526 0.000789179 18
5139 5 C 20.0279 24.9361 31.5446 0.00181219 -0.00457096 -0.000394653 18
5140 6 C 20.519 26.0929 32.1637 -0.001089 -0.000266277 0.000896871 18
5141 7 C 15.5803 23.4772 31.0766 0.00243134 -0.0010224 -0.00122517 18
5142 8 C 15.7713 23.4028 29.6924 -0.000295172 -0.00137531 -0.00321201 18
5143 9 C 17.0475 23.4452 29.1506 -0.00177135 -0.000552694 -0.00193266 18
5144 10 C 18.1299 23.5278 30.009 0.00205133 -0.00258774 0.00112353 18
5145 11 C 17.9687 23.6106 31.431 0.00085482 -0.00420693 -0.00417618 18
5146 12 C 16.6507 23.608 31.9741 -0.00393056 0.00182947 -0.0031434 18
5147 13 C 21.2885 20.3342 31.7599 0.000209095 -0.00212595 -0.00191454 18
5148 14 C 21.3892 20.327 30.3801 0.000722323 -0.000448752 0.00569511 18
5149 15 C 20.9038 21.3678 29.6316 -0.0008776 -0.000853561 -0.000594826 18
5150 16 C 20.231 22.4131 30.3004 -0.000251526 -0.00127892 0.0019522 18
5151 17 C 19.5646 23.569 29.5458 -0.000568229 -0.00617959 -0.0017174 18
5152 18 O 20.5836 21.3704 33.8022 -0.00147695 0.00257367 0.00176185 18
5153 19 O 16.3763 23.8266 33.3047 0.000651622 0.00367513 -0.00556656 18
5154 20 O 20.4798 26.2273 33.5694 0.00222083 -0.000378075 -0.00697006 18
5155 21 C 20.665 21.418 32.4355 -0.00233481 0.00380358 0.00601323 18
5156 22 C 19.7957 23.5594 28.1087 -0.00252056 0.00115405 -0.00476932 18
5157 23 C 20.2862 23.5123 27.0092 0.000870656 0.00290603 0.00426071 18
5158 24 C 21.0676 23.5624 25.8114 0.00033165 -0.000751481 -0.000942739 18
5159 25 C 20.8775 24.5773 24.8472 -0.00259112 -0.00252624 -0.00384328 18
5160 26 C 21.7618 24.6504 23.7706 -0.0061557 0.0016881 0.00296866 18
5161 27 C 22.8159 23.7268 23.6793 -0.000262378 -0.00378749 0.00455245 18
5162 28 C 22.9908 22.7132 24.6356 -0.00565676 0.00020102 0.00166086 18
5163 29 C 22.1221 22.6157 25.7225 -0.00150199 -0.000177414 0.00277674 18
5164 30 C 23.6706 23.7228 22.5249 0.000371139 0.00033497 0.000823186 18
5165 31 C 24.2273 23.7213 21.4621 -0.000888977 -0.000494821 0.00178779 18
5166 32 C 22.5814 20.635 18.9401 -0.00490718 -0.000163098 -0.0019603 18
5167 33 C 22.7322 20.814 17.5564 0.000242475 0.00172002 0.00294463 18
5168 34 C 23.3985 21.9019 17.0185 0.000683153 0.000880397 -0.00410833 18
5169 35 C 23.9786 22.8001 17.9112 0.00110261 -0.00227317 -0.00372189 18
5170 36 C 23.8232 22.6321 19.3015 -0.000824275 0.000145744 0.000721852 18
5171 37 C 23.1514 21.5368 19.8035 0.00359814 -0.00257588 -0.00103567 18
5172 38 C 24.5909 23.7422 20.078 0.00262972 -8.85807e-05 -0.0016673 18
5173 39 C 28.4427 23.5128 19.8529 0.00324891 0.00160083 0.000593833 18
5174 40 C 28.5764 23.5644 18.4708 2.71623e-05 -0.00273974 -0.00121577 18
5175 41 C 27.4582 23.5633 17.6437 -0.00254452 0.00402684 0.00345732 18
5176 42 C 26.2094 23.6824 18.2447 0.00323448 -0.0014045 0.00216147 18
5177 43 C 26.0275 23.6153 19.6613 -0.00081328 0.00402408 0.00284232 18
5178 44 C 27.1559 23.4861 20.426 -0.00110044 -0.00454617 0.00188035 18
5179 45 C 23.2231 27.32 19.4308 0.00136948 -0.00198251 6.2175e-05 18
5180 46 C 23.4301 27.413 18.0463 -0.00523111 -0.00302933 -0.0019608 18
5181 47 C 23.9867 26.3445 17.3742 -0.00057108 0.00131103 0.00321141 18
5182 48 C 24.3236 25.1782 18.0605 -0.00159575 0.00309771 0.0017368 18
5183 49 C 24.8954 23.9331 17.4623 -0.00202676 0.000371755 0.00016053 18
5184 50 C 24.1408 25.0739 19.4298 -0.00270041 0.00224054 -0.00237146 18
5185 51 C 23.6424 26.2086 20.1451 0.00493323 0.00700716 0.00308298 18
5186 52 O 27.6743 23.8132 16.315 0.000155404 0.00250392 7.07549e-05 18
5187 53 O 23.4028 22.192 15.6701 -0.00178777 -0.00207601 -0.00230262 18
5188 54 O 24.2015 26.4835 16.0214 0.00208978 -0.000628842 0.00159093 18
5189 55 C 19.3152 23.7155 32.1573 -0.00196871 -0.000636774 0.0029975 18
5190 56 C 20.1139 22.4794 31.6752 0.00187207 0.000962722 0.00039976 18
5191 57 C 27.8369 22.7017 15.4556 -0.000149857 0.00073687 -0.00107625 18
5192 58 C 26.7494 22.6904 14.347 -0.00129008 -0.001879 -0.000301986 18
5193 59 C 27.2853 23.2338 13.0066 0.00233274 0.00473682 0.00155896 18
5194 60 C 26.3251 23.1408 11.7882 -0.00244519 0.00182153 0.00185947 18
5195 61 C 27.0035 23.4815 10.4744 -0.00101681 0.00356705 0.000296356 18
5196 62 C 26.0765 23.431 9.20692 -0.00360412 -0.000290242 0.00129298 18
5197 63 C 26.8359 23.7116 7.87023 0.00534855 0.00131707 -0.000232601 18
5198 64 C 26.0411 23.5332 6.60973 0.000946311 0.00264167 7.87274e-05 18
5199 65 C 26.966 23.662 5.38707 -0.00299609 0.00213334 -0.00098258 18
5200 66 C 26.3042 23.4533 4.00926 -0.000301631 0.00382635 -0.000112997 18
5201 67 C 27.1354 23.9553 2.80403 -0.000933497 0.00207202 -0.00780881 18
5202 68 C 26.5041 23.5273 1.45523 0.0009797 0.00217137 0.00094936 18
5203 69 F 21.6076 25.6253 22.84 0.000822819 -0.00296259 -0.00240189 18
5204 70 C 23.4159 21.1593 14.7126 -0.000945944 -0.00297632 -0.000262654 18
5205 71 C 23.2749 21.9371 13.3847 0.00502497 -0.0019249 -0.000546963 18
5206 72 C 23.1148 21.0936 12.0848 -0.00135683 0.00349715 0.001202 18
5207 73 C 22.8797 21.972 10.85 -0.000236529 0.00113215 -0.00251672 18
5208 74 C 22.9113 21.1705 9.5071 0.000480356 -0.000967943 0.00236736 18
5209 75 C 22.7527 22.017 8.22657 -0.00112286 -0.000756554 -0.00460352 18
5210 76 C 23.1003 21.228 6.99265 -0.000373892 0.00204231 0.00451877 18
5211 77 C 22.9375 22.0308 5.67888 -0.00187568 -0.00276085 0.00180548 18
5212 78 C 23.2447 21.1567 4.46152 -0.00203914 0.000209957 -0.000545122 18
5213 79 C 22.7705 21.8141 3.12266 0.000831809 0.00207243 0.00229268 18
5214 80 C 22.7056 20.8798 1.92454 -0.00304213 -6.13187e-05 0.00685679 18
5215 81 C 24.0339 20.2156 1.59941 -0.00404262 -0.00221379 0.00166459 18
5216 82 C 25.4758 26.7104 15.4531 0.00221398 -0.001927 0.00327396 18
5217 83 C 25.3715 26.6361 13.9241 -0.00316117 0.00200164 0.000968944 18
5218 84 C 26.1722 27.7787 13.1946 0.00335446 0.000416879 -0.00133315 18
5219 85 C 26.4324 27.5643 11.7158 -0.000732879 -0.000161162 0.00226054 18
5220 86 C 25.2025 27.9595 10.827 0.00297518 -1.05991e-05 0.00313536 18
5221 87 C 25.3922 27.5659 9.35556 0.00222653 0.00543813 -0.00431729 18
5222 88 C 26.5215 28.2911 8.61749 0.00348039 0.00214893 0.00330945 18
5223 89 C 26.3793 28.3763 7.06876 0.0029552 5.53774e-05 0.00253763 18
5224 90 C 26.0475 27.0298 6.38839 0.00135214 0.000913212 -0.00232126 18
5225 91 C 25.5645 27.1874 4.91377 -0.000502821 0.000591317 0.00520248 18
5226 92 C 26.6414 27.8956 4.0714 -0.00332779 -0.00269354 -0.00183318 18
5227 93 C 26.2215 27.92 2.57823 0.00217823 0.00118729 -0.000881569 18
5228 94 C 15.0056 23.7404 33.7791 -0.00359087 0.00191944 -5.08028e-05 18
5229 95 C 14.8847 24.017 35.2945 -0.00509491 -0.00596289 0.00210384 18
5230 96 C 13.4307 23.8042 35.8413 -0.00105581 0.00071208 0.00347732 18
5231 97 C 13.3379 23.5805 37.3637 -0.000284575 0.000356068 -0.0049193 18
5232 98 C 13.7746 24.8024 38.1608 -0.00387433 0.00138175 -0.000334372 18
5233 99 C 14.3672 24.3803 39.5129 0.000128934 -0.00228316 -0.00133274 18
5234 100 C 13.2487 23.8341 40.4174 0.000838603 0.00232858 -0.000939568 18
5235 101 C 13.7273 23.5933 41.8255 -0.00363374 -0.00298223 0.0003982 18
5236 102 C 14.1631 24.8633 42.5969 -0.00181006 0.000901486 0.00292365 18
5237 103 C 14.5912 24.5368 44.0633 -0.0030943 -0.00227679 0.0042801 18
5238 104 C 13.5264 23.8591 44.9315 -0.00184143 0.000399833 0.000451376 18
5239 105 C 13.9416 23.5626 46.3656 -0.00104307 0.000156119 0.00191975 18
5240 106 C 20.6864 27.571 34.1182 -0.000437765 0.00159074 -0.00192116 18
5241 107 C 20.8171 27.5843 35.6721 0.00198119 -0.00633795 0.00474493 18
5242 108 C 21.6585 28.7722 36.1987 0.00375117 0.0010107 0.00331016 18
5243 109 C 21.5227 29.0241 37.7252 -0.00444232 0.00184767 0.00132305 18
5244 110 C 21.5959 27.7638 38.5851 -0.00211798 0.00378533 0.00383706 18
5245 111 C 22.0567 28.0276 40.0323 0.00316521 0.00456636 0.00206513 18
5246 112 C 21.1525 28.9474 40.9032 -0.00249025 -0.000364793 -0.00359418 18
5247 113 C 21.7457 29.2384 42.3215 -0.000138113 -0.000739669 -0.0027699 18
5248 114 C 22.1225 27.9527 43.1566 0.00563396 -0.00316744 -0.00112662 18
5249 115 C 22.6071 28.0681 44.5916 0.00293331 0.00192436 -0.00168872 18
5250 116 C 21.4746 28.464 45.5676 0.0022157 0.0031461 0.000956276 18
5251 117 C 22.0468 28.8015 46.9949 -0.00111618 -0.00176463 0.000500698 18
5252 118 C 21.4044 20.3798 34.5543 0.00334276 0.0032068 -0.00325902 18
5253 119 C 20.9381 20.193 36.0021 0.00396262 -0.00136835 -0.00343202 18
5254 120 C 21.8469 19.1743 36.775 -0.000331639 0.000771403 0.00301393 18
5255 121 C 21.3895 19.1589 38.2464 0.000525651 -0.0033637 -0.000173426 18
5256 122 C 22.4374 18.4701 39.1535 -0.000265598 0.00286573 -0.00121973 18
5257 123 C 21.8522 18.2133 40.5399 0.000593489 -0.000302268 0.00329393 18
5258 124 C 21.7341 19.4091 41.4932 -0.00284766 0.000407003 -0.00255452 18
5259 125 C 21.3639 18.9405 42.9062 0.000647494 -0.00397336 0.00311894 18
5260 126 C 21.957 19.7764 44.0784 0.00260012 -0.00135048 -0.00571601 18
5261 127 C 21.7851 19.1075 45.4415 0.000864474 -0.000976846 -0.00427953 18
5262 128 C 22.5298 19.8694 46.5389 0.00389096 0.00538836 -0.00180398 18
5263 129 C 22.413 19.1723 47.9016 -0.00200137 -0.00457508 -0.000135862 18
5264 130 F 19.9075 25.516 24.924 0.00118274 -0.0014977 0.00179788 18
5265 131 H 21.5642 28.0323 31.7902 -0.00697823 4.10479e-06 0.0100931 18
5266 132 H 21.4593 27.8417 29.3663 0.00897841 0.00556086 0.0103195 18
5267 133 H 20.5342 25.9189 28.295 0.00273533 -0.000341806 0.000208999 18
5268 134 H 14.5495 23.4353 31.4159 0.0022813 -0.00820512 -0.0025598 18
5269 135 H 14.8953 23.3061 29.0579 -0.00233162 0.00670207 -0.00163102 18
5270 136 H 17.2115 23.4665 28.0773 -0.0089455 -0.0022025 -0.00304897 18
5271 137 H 21.6845 19.4548 32.2591 0.0192104 0.000550914 -0.0123084 18
5272 138 H 21.8511 19.5264 29.8099 0.00390012 0.0119924 -0.00928053 18
5273 139 H 21.031 21.27 28.5576 -0.0161001 -0.0143 -0.0011835 18
5274 140 H 23.7777 21.9677 24.5694 0.0044743 0.0111743 -0.00116946 18
5275 141 H 22.2301 21.814 26.447 -9.36252e-05 -0.00700501 -0.00497846 18
5276 142 H 22.0946 19.7846 19.4084 0.00671937 -0.00266757 0.00564646 18
5277 143 H 22.2081 20.1142 16.9122 -0.00667753 0.00473527 0.00528267 18
5278 144 H 23.0819 21.353 20.8716 -0.0081129 0.00113067 -0.0011625 18
5279 145 H 29.3187 23.4471 20.4915 0.00652335 0.013282 -0.0027194 18
5280 146 H 29.5692 23.7628 18.0779 -0.00245944 0.00329039 -0.00446733 18
5281 147 H 27.092 23.3714 21.5041 0.0133524 0.018755 0.00521818 18
5282 148 H 22.7753 28.2001 19.8829 0.00472691 0.00333168 -0.00688287 18
5283 149 H 23.1269 28.3048 17.5058 0.00164985 -0.00610514 -0.0108823 18
5284 150 H 25.0249 24.0602 16.3804 0.0017726 -0.00827281 -0.000388387 18
5285 151 H 23.4714 26.2161 21.2175 0.00748732 0.00680987 0.00348859 18
5286 152 H 19.2055 23.7924 33.2461 0.0173025 -0.00112443 0.00497079 18
5287 153 H 28.8419 22.7296 15.0167 0.00657432 0.00111449 0.0143274 18
5288 154 H 27.8318 21.7645 16.0257 -0.0118497 -0.00279185 -0.00697045 18
5289 155 H 25.8553 23.2662 14.6161 0.00886081 0.0195103 -0.012322 18
5290 156 H 26.4145 21.6564 14.1981 -0.015682 0.000467052 0.0157858 18
5291 157 H 28.1809 22.6429 12.7784 -0.0109115 -0.0105156 -0.0110155 18
5292 158 H 27.5382 24.2871 13.1799 0.000927971 0.00500653 0.00198398 18
5293 159 H 25.5065 23.854 11.9452 0.001852 0.00695325 0.000989912 18
5294 160 H 25.9291 22.1197 11.7244 0.00566248 -0.00171282 0.00798548 18
5295 161 H 27.8238 22.7673 10.3317 -0.00147038 0.00702398 -0.0195964 18
5296 162 H 27.4659 24.473 10.5547 0.0114667 -0.00206912 -0.0018914 18
5297 163 H 25.2741 24.1762 9.27154 -0.00964542 -0.00612176 -0.00632275 18
5298 164 H 25.594 22.4525 9.0916 -0.000393889 -0.0017584 0.000315898 18
5299 165 H 27.6394 22.9649 7.85014 0.000111522 -0.00416389 -0.00654375 18
5300 166 H 27.215 24.7372 7.95835 0.0101802 -0.000284756 -0.00252446 18
5301 167 H 25.244 24.286 6.57442 0.000133848 0.00235254 0.012207 18
5302 168 H 25.5734 22.5415 6.64524 0.016723 -0.00456605 0.00655667 18
5303 169 H 27.8449 23.0101 5.46394 -0.0022116 0.00158913 -0.014444 18
5304 170 H 27.3678 24.6826 5.40272 0.00498297 -0.000938482 -0.00608754 18
5305 171 H 25.321 23.9388 3.97824 0.000520691 0.00630319 0.0127202 18
5306 172 H 26.0972 22.3764 3.9813 -0.0126133 0.00590702 0.00971358 18
5307 173 H 28.1689 23.5876 2.79275 -0.00137267 0.000188519 0.0173375 18
5308 174 H 27.1742 25.0497 2.86992 0.0046591 0.00199623 -0.00990613 18
5309 175 H 25.4274 23.7295 1.5105 -0.000861748 -0.00729359 -0.000242657 18
5310 176 H 26.6068 22.4469 1.29474 -0.0115797 0.000196369 0.00615896 18
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5312 178 H 24.3615 20.6063 14.7716 -0.00159685 -0.00435199 -0.00274648 18
5313 179 H 22.5502 20.5037 14.8681 -0.001212 -0.000717491 0.00782336 18
5314 180 H 22.4495 22.6519 13.4906 0.0154351 0.0107606 -0.00466423 18
5315 181 H 24.1344 22.6151 13.3153 -0.00276885 0.00796304 -0.000673712 18
5316 182 H 24.0473 20.5229 11.9945 -0.00366208 -0.00201709 0.0121028 18
5317 183 H 22.2358 20.4453 12.1863 0.00941679 -0.0116667 -0.00265528 18
5318 184 H 21.8887 22.4371 10.92 -0.00537578 -0.00833064 -0.0121788 18
5319 185 H 23.6615 22.7399 10.799 0.0107784 -0.00946638 0.00650312 18
5320 186 H 23.8867 20.6752 9.42528 0.00777748 0.0126598 0.00665322 18
5321 187 H 22.105 20.4316 9.4212 0.00387021 -0.00339651 -0.00889157 18
5322 188 H 21.7373 22.4318 8.24205 -0.00190863 -0.00259305 -0.00771901 18
5323 189 H 23.3807 22.9162 8.24607 0.00700586 -0.00671108 0.00696309 18
5324 190 H 24.0996 20.7918 7.11318 0.000439145 -0.000371549 -0.0110668 18
5325 191 H 22.4185 20.37 6.94202 -0.00753197 0.00647544 0.0259727 18
5326 192 H 21.9138 22.4149 5.58971 0.00110863 0.00736946 0.011217 18
5327 193 H 23.5882 22.9139 5.67779 -0.00924683 0.00265924 -0.00604117 18
5328 194 H 24.3208 20.9652 4.36776 -0.00211414 -0.00481005 0.0090803 18
5329 195 H 22.7164 20.209 4.6235 -0.00108978 0.00148157 0.0100646 18
5330 196 H 21.7514 22.184 3.28977 0.00279219 0.00748228 0.00225341 18
5331 197 H 23.4063 22.6702 2.86497 0.00400285 -0.00104148 -0.000234733 18
5332 198 H 21.9435 20.1222 2.14537 -0.00936334 0.00460987 0.00109493 18
5333 199 H 22.3126 21.4592 1.07997 0.014197 -0.00364346 -0.0035788 18
5334 200 H 24.3784 19.5251 2.37907 0.00959469 0.00415741 0.00125644 18
5335 201 H 23.9411 19.5551 0.728535 0.00806395 0.00469819 -0.00487657 18
5336 202 H 24.7746 20.9805 1.33517 -0.00865246 -0.00138194 -0.0089304 18
5337 203 H 25.8595 27.6929 15.7544 0.000548949 0.00176369 -0.00664527 18
5338 204 H 26.1644 25.9611 15.8627 0.0018478 -0.00801171 -0.00729493 18
5339 205 H 25.7613 25.6461 13.6568 0.0098765 0.00599981 0.00512804 18
5340 206 H 24.3455 26.7025 13.5418 -0.000995162 0.00822597 -0.00379183 18
5341 207 H 25.5816 28.6802 13.3994 -0.00364848 -0.00173175 -0.0121206 18
5342 208 H 27.1458 27.8954 13.6864 -0.00135098 -0.00139469 0.00841112 18
5343 209 H 27.2962 28.1237 11.3361 0.00504197 0.00684045 0.0259146 18
5344 210 H 26.718 26.5155 11.5682 0.015906 0.0055206 -0.00601217 18
5345 211 H 24.3313 27.4429 11.2483 -0.00801385 0.010468 -0.00683452 18
5346 212 H 25.0911 29.0491 10.8885 0.00453135 0.000114587 0.00379235 18
5347 213 H 25.6071 26.4906 9.32612 -0.000558869 0.00523872 -0.0169683 18
5348 214 H 24.4494 27.7582 8.82859 0.0040064 0.001809 -0.00882334 18
5349 215 H 26.5905 29.2764 9.09473 -0.000323866 0.0058832 -0.0038832 18
5350 216 H 27.4358 27.7225 8.82728 0.00582719 0.0024162 -0.00616403 18
5351 217 H 25.6012 29.1019 6.80131 -0.00205092 -0.00427089 0.00538575 18
5352 218 H 27.2856 28.7843 6.60452 -8.35872e-05 0.00831601 0.00385985 18
5353 219 H 26.9552 26.4163 6.44509 -0.00112711 -0.00161598 0.00984175 18
5354 220 H 25.2251 26.538 6.92251 0.00703505 -0.00382271 0.00204809 18
5355 221 H 25.3534 26.1999 4.48501 -0.00627994 0.00182176 0.00523125 18
5356 222 H 24.666 27.8163 4.93629 0.000603179 0.00259382 -0.00712237 18
5357 223 H 26.6468 28.9459 4.38797 -0.00479171 -0.00482714 0.00526413 18
5358 224 H 27.6143 27.405 4.19826 -0.00608712 -0.0103056 -0.0100116 18
5359 225 H 26.8701 28.6634 2.0985 0.00673445 -0.00119143 0.00157095 18
5360 226 H 26.4671 26.9835 2.06256 0.000750771 -0.00519283 0.0100664 18
5361 227 H 25.1725 28.1787 2.38824 0.00147552 0.000988189 0.00274732 18
5362 228 H 14.4326 24.5117 33.2498 0.00487397 0.00700443 -0.00183371 18
5363 229 H 14.6346 22.7301 33.567 -0.0106521 -0.000341309 0.0230413 18
5364 230 H 15.5604 23.3247 35.8118 0.0134248 0.00861568 -0.00255374 18
5365 231 H 15.2375 25.0363 35.4947 0.001619 -0.00764696 -0.00112045 18
5366 232 H 12.7283 24.5798 35.5119 -0.000215114 0.000281302 0.000662778 18
5367 233 H 12.9795 22.9207 35.3731 -0.00308436 -0.00234566 0.0111864 18
5368 234 H 12.3486 23.2234 37.6755 -0.00177511 0.0064921 -0.00264271 18
5369 235 H 14.0377 22.769 37.5986 0.00698965 0.00517748 -0.00989873 18
5370 236 H 14.6142 25.3596 37.7273 -0.000251059 -0.0047752 -0.00120587 18
5371 237 H 12.9539 25.5165 38.3017 0.00503386 0.0107759 0.00411003 18
5372 238 H 15.1433 23.6146 39.3918 -0.0021642 -0.00305252 -0.0111549 18
5373 239 H 14.8125 25.2529 40.0065 -0.000543633 0.00110036 -0.0067182 18
5374 240 H 12.4171 24.5493 40.4384 0.00435403 0.00680422 -0.0138483 18
5375 241 H 12.9034 22.8777 40.0057 0.00122317 0.00406626 -0.00530056 18
5376 242 H 12.8905 23.1509 42.3799 4.44025e-05 -0.0100748 0.000285596 18
5377 243 H 14.5408 22.8574 41.8199 -0.00127742 -0.000406869 0.00426064 18
5378 244 H 15.0073 25.3727 42.116 -0.000694038 -0.00447364 -0.000807693 18
5379 245 H 13.3175 25.5606 42.6428 -0.00820347 -0.00678896 0.0021195 18
5380 246 H 15.4875 23.9048 44.0389 -0.000946417 0.00123888 -0.00806337 18
5381 247 H 14.8867 25.4782 44.5428 0.00137138 -0.0018351 0.00066509 18
5382 248 H 12.65 24.5157 44.9965 -0.00281022 -0.000165922 -0.00705088 18
5383 249 H 13.2462 22.8893 44.5021 0.0163118 0.000854324 -0.0124252 18
5384 250 H 14.2472 24.4737 46.8947 -0.00467022 0.00373137 -0.00216112 18
5385 251 H 13.1094 23.0959 46.9071 0.00366124 -0.00401922 0.00554336 18
5386 252 H 14.8392 22.9343 46.4205 0.00575973 0.00987511 0.00236658 18
5387 253 H 21.6393 27.9965 33.7802 0.00683847 -0.00937276 0.00468542 18
5388 254 H 19.8598 28.2457 33.8635 -0.00350406 -0.000386595 0.00273593 18
5389 255 H 19.816 27.6801 36.1102 -0.00398112 -0.02825 -0.00414943 18
5390 256 H 21.31 26.6639 36.0089 -0.000649346 -0.0121407 -0.00728174 18
5391 257 H 22.7174 28.5929 35.9751 -0.00202834 -0.0147444 -0.0114405 18
5392 258 H 21.3982 29.7023 35.6786 0.00790178 -0.00203085 -0.00418949 18
5393 259 H 22.3496 29.6936 37.9926 -0.00548008 0.000847367 0.00702802 18
5394 260 H 20.6018 29.559 37.9881 -0.00692882 -0.000393029 -0.00284841 18
5395 261 H 20.5931 27.3195 38.6069 0.00307126 -0.00813429 -0.00115259 18
5396 262 H 22.2682 27.0266 38.129 0.00504384 0.0112212 0.00238918 18
5397 263 H 22.1613 27.1184 40.6371 -0.00264123 0.00470417 0.00328258 18
5398 264 H 23.0746 28.4366 40.0261 0.00129048 0.00897719 -0.0111629 18
5399 265 H 20.8655 29.8773 40.3969 -0.00565084 0.000414833 -0.000390329 18
5400 266 H 20.1559 28.4986 40.9972 -0.00451029 0.00558844 0.00344233 18
5401 267 H 22.6415 29.8664 42.2404 -0.00577833 0.00791816 0.00199676 18
5402 268 H 21.0154 29.7836 42.9322 0.000165774 -0.00136062 -0.00184804 18
5403 269 H 21.2557 27.2818 43.1124 0.000689204 0.00294406 0.00305919 18
5404 270 H 22.9473 27.4328 42.6538 0.00982305 -0.00431892 0.00692562 18
5405 271 H 23.032 27.1028 44.8932 -0.000575461 0.0039608 0.00975216 18
5406 272 H 23.4152 28.7996 44.7152 0.00353123 0.000648013 0.00202551 18
5407 273 H 20.9911 29.3819 45.2111 -0.00253105 -0.00435866 -0.0118495 18
5408 274 H 20.7629 27.6318 45.6345 0.00711484 -0.000123558 0.0125358 18
5409 275 H 22.4399 27.9384 47.5461 0.000485623 0.00179852 0.00495286 18
5410 276 H 22.8438 29.5445 46.8678 -0.0118654 0.00870052 -0.00601718 18
5411 277 H 21.335 29.2718 47.6845 -0.00370067 -0.0121708 0.00493021 18
5412 278 H 21.2441 19.3854 34.1197 0.00564647 0.0010514 0.000835518 18
5413 279 H 22.4788 20.5644 34.4314 0.0035072 0.0144653 0.0155002 18
5414 280 H 19.8841 19.8937 36.0554 0.00492489 -0.00399421 0.000853071 18
5415 281 H 20.9954 21.1541 36.5279 -0.000902224 -0.00269963 -0.000479317 18
5416 282 H 22.8978 19.4839 36.7186 0.0021412 -0.0100848 -0.0103678 18
5417 283 H 21.7656 18.162 36.3602 -0.0051201 0.00580586 -0.00833089 18
5418 284 H 20.4199 18.6549 38.3421 0.00105013 -0.00540639 -0.0056681 18
5419 285 H 21.2216 20.183 38.6021 0.000215874 -0.00396111 0.00139948 18
5420 286 H 23.321 19.1154 39.233 0.00121063 0.00130661 -0.0049991 18
5421 287 H 22.7193 17.5343 38.6554 -0.00189299 0.00588857 -0.00784317 18
5422 288 H 22.4986 17.4723 41.0261 0.00736768 -0.000638925 -0.00624376 18
5423 289 H 20.8604 17.7481 40.4818 0.00511137 -0.00949866 0.000100723 18
5424 290 H 20.984 20.094 41.0788 0.00162041 0.00533848 -0.00248484 18
5425 291 H 22.6921 19.9425 41.5274 0.00501471 -0.0140806 0.00306582 18
5426 292 H 21.7491 17.9256 43.0643 0.000463846 -0.00376913 0.00489054 18
5427 293 H 20.2742 18.9088 43.0283 -0.00154202 0.00149654 -0.0149841 18
5428 294 H 21.4291 20.738 44.0828 0.00617479 0.00050308 0.0136181 18
5429 295 H 23.0255 19.9665 43.9184 0.0047681 0.00281817 0.0136628 18
5430 296 H 22.2214 18.1016 45.4054 -0.00599651 -0.00432862 0.00619236 18
5431 297 H 20.7418 19.0246 45.7702 -0.00118794 0.00936961 -0.00821652 18
5432 298 H 22.1918 20.9119 46.587 0.0066795 0.00615539 0.00118823 18
5433 299 H 23.6086 19.8872 46.3411 0.00259958 0.00124011 -0.00914963 18
5434 300 H 22.8959 18.1935 47.7908 -0.00626001 -0.00535686 -0.0120428 18
5435 301 H 21.3826 19.025 48.2481 -0.00893427 -0.00637613 -0.0216049 18
5436 302 H 22.9364 19.7923 48.6398 0.00120097 -0.017024 0.00800923 18
5437 1 C 25.1106 20.5187 30.7945 0.00318572 -0.000159944 -0.00529549 19
5438 2 C 25.1498 20.4868 29.3913 0.00141945 0.00147101 0.0026874 19
5439 3 C 24.6487 19.382 28.7392 0.0037407 -0.00155537 0.000259416 19
5440 4 C 24.1283 18.2714 29.4574 -0.00025537 0.0010948 -0.00010948 19
5441 5 C 24.0527 18.3128 30.8654 0.00104976 0.00287773 0.00059111 19
5442 6 C 24.5502 19.4689 31.5511 0.00100338 -0.00126976 0.00329512 19
5443 7 C 19.7053 16.9394 30.4687 0.00114169 0.000189815 -0.000625529 19
5444 8 C 19.8425 16.9606 29.0693 0.00197977 0.000461411 0.000101435 19
5445 9 C 21.1049 16.8427 28.4899 -0.00289066 -0.00134495 -0.00146508 19
5446 10 C 22.2249 16.838 29.3141 0.0012254 0.00518346 -0.00379399 19
5447 11 C 22.0875 16.9092 30.7566 -0.000364524 0.000106393 0.00268511 19
5448 12 C 20.8005 16.9494 31.3458 0.00488002 0.00343563 0.0011097 19
5449 13 C 25.2345 13.587 30.9572 -0.00263193 -0.00249064 -0.000603247 19
5450 14 C 25.4803 13.6852 29.588 0.00472783 -0.00157117 0.00401011 19
5451 15 C 24.9939 14.7844 28.8892 -0.00206186 0.00208943 -0.00133887 19
5452 16 C 24.3029 15.8029 29.5714 -0.00149473 -0.00135749 -0.00152376 19
5453 17 C 23.6176 16.9205 28.8399 -0.000780955 0.00130591 -0.000253177 19
5454 18 O 24.6223 14.5145 33.0847 -0.00175077 0.00135662 -0.00342784 19
5455 19 O 20.6673 17.0023 32.7108 4.27583e-05 0.000350089 -0.000516734 19
5456 20 O 24.5002 19.6017 32.9362 -0.00307983 -0.00183348 -0.00532955 19
5457 21 C 24.709 14.6546 31.7023 -0.00127878 -0.00214534 0.000195447 19
5458 22 C 23.9 16.8866 27.3702 0.00182108 -0.00168894 0.00346393 19
5459 23 C 24.3705 16.8566 26.2525 -0.00330335 -0.003523 0.00285708 19
5460 24 C 25.1721 16.9279 25.0447 -0.000179034 -0.000957538 0.000861738 19
5461 25 C 24.9999 17.9152 24.0618 0.00327982 0.00053858 0.00025779 19
5462 26 C 25.8711 18.0231 23.0023 -0.00192987 -0.00396043 -0.000836401 19
5463 27 C 26.9631 17.1577 22.9139 0.00375207 -0.00084791 0.00254218 19
5464 28 C 27.143 16.1555 23.87 -0.00195819 0.00126026 -0.0011251 19
5465 29 C 26.2342 16.0071 24.9506 0.00116977 0.00275562 0.00517015 19
5466 30 C 27.8446 17.1502 21.7776 0.00409154 -0.00325778 0.00297941 19
5467 31 C 28.41 17.1313 20.699 0.00370438 0.00223329 -0.000841955 19
5468 32 C 27.5923 13.5345 18.742 -0.000747797 -0.000949819 -0.00345709 19
5469 33 C 27.9661 13.4144 17.3984 -0.00291522 -0.000893758 -0.00323187 19
5470 34 C 28.2852 14.5374 16.598 0.00537679 -0.000494566 0.000383348 19
5471 35 C 28.3674 15.7958 17.2346 0.000897819 -0.00311341 0.00330677 19
5472 36 C 28.1423 15.8616 18.6183 0.00069532 0.000292912 0.0012189 19
5473 37 C 27.6609 14.7742 19.3299 -0.00291324 0.000800196 0.000753203 19
5474 38 C 28.6534 17.1404 19.236 0.00131039 -0.00112556 -0.00268574 19
5475 39 C 32.5317 17.0798 18.937 -0.00137222 0.00207303 -0.00405539 19
5476 40 C 32.5916 17.1827 17.5531 -0.000252073 0.00253061 -0.00088675 19
5477 41 C 31.4579 17.2442 16.7395 -0.000151821 0.00372198 -0.000312045 19
5478 42 C 30.1949 17.2453 17.3416 -0.00180437 0.00135736 -0.00361384 19
5479 43 C 30.0844 17.2349 18.7711 -0.00228754 0.00544615 -0.00437254 19
5480 44 C 31.2604 17.1464 19.5547 -0.00213646 0.000290545 -0.00290184 19
5481 45 C 26.4704 20.2475 18.423 -0.000587103 -0.000438896 0.00069516 19
5482 46 C 26.4784 20.1743 17.0188 0.000728076 -0.000476508 0.00313852 19
5483 47 C 27.2067 19.1886 16.3568 0.00371862 -0.00215129 -0.000643804 19
5484 48 C 27.9279 18.2134 17.0878 -0.00235691 -0.0045529 0.000670093 19
5485 49 C 28.8489 17.0754 16.5812 -0.0035315 0.00148947 -0.00184279 19
5486 50 C 27.8277 18.2379 18.5198 -0.0010298 0.00354123 0.00245541 19
5487 51 C 27.1171 19.2446 19.1709 0.00509813 0.00112 -0.0045032 19
5488 52 O 31.54 17.4203 15.3513 0.00336215 0.00198948 -0.00120095 19
5489 53 O 28.582 14.4553 15.2537 0.000135143 -0.00214694 0.00240022 19
5490 54 O 27.158 19.3552 14.9925 -0.00218753 0.00293966 0.00182353 19
5491 55 C 23.4518 17.0387 31.4914 0.00294609 -0.00401597 0.0001938 19
5492 56 C 24.232 15.8053 30.9991 -0.00160599 -0.00298952 0.00161308 19
5493 57 C 31.4169 16.2886 14.4594 -8.27767e-06 -0.00199939 0.000764017 19
5494 58 C 30.7428 16.9559 13.2642 -0.00111808 0.000978723 -0.00395288 19
5495 59 C 31.1307 16.3842 11.9024 0.00218365 0.000538943 -0.00378289 19
5496 60 C 30.3275 16.9527 10.745 -0.000939404 0.00242819 0.00217002 19
5497 61 C 30.6854 16.4319 9.35018 -0.00271402 0.00120431 -0.00139071 19
5498 62 C 29.767 16.9965 8.23004 0.00406469 -0.000130529 0.00391462 19
5499 63 C 30.1188 16.4348 6.84628 -0.00136775 -0.00217182 -0.000440395 19
5500 64 C 31.5098 16.8472 6.31538 -0.00343795 0.000262636 0.0033358 19
5501 65 C 31.78 16.3249 4.8837 0.00272126 -0.00320947 -0.00150983 19
5502 66 C 30.8256 16.8367 3.7567 0.00233729 0.000752997 0.00237797 19
5503 67 C 31.3419 16.3488 2.37552 0.0031551 -0.0028552 0.00319138 19
5504 68 C 30.3054 16.4513 1.25557 0.00249121 0.000117054 -0.00101844 19
5505 69 F 25.6412 18.9645 22.0579 -0.00533499 -0.00452966 0.00640385 19
5506 70 C 28.7879 13.1709 14.6485 0.00417994 -0.000774326 -0.0042216 19
5507 71 C 29.361 13.4543 13.2244 0.00342056 0.00180023 -0.0040773 19
5508 72 C 29.4446 12.2536 12.2365 0.00244212 0.00143302 -0.000335366 19
5509 73 C 29.5635 12.6669 10.7598 -0.00112377 -0.00140558 -0.000840609 19
5510 74 C 30.071 11.5504 9.85554 0.00122035 -0.0019652 -0.00489525 19
5511 75 C 30.1879 12.1205 8.44833 0.0011784 0.000482629 -0.000837438 19
5512 76 C 30.594 10.9666 7.49774 0.00228455 0.000209183 -0.000752201 19
5513 77 C 30.91 11.4595 6.06725 -0.00211809 0.00241758 0.00772774 19
5514 78 C 29.6728 11.8855 5.27299 -0.000773382 0.00516389 0.00175789 19
5515 79 C 29.7519 11.7229 3.71916 0.000869403 0.00299333 0.004906 19
5516 80 C 30.5426 12.8777 3.09958 -0.00243691 -0.00764248 -0.00138269 19
5517 81 C 30.4971 12.8144 1.56736 -0.000483182 -0.00162171 0.00157046 19
5518 82 C 27.6471 18.5607 13.9188 -0.000114165 -0.00359635 6.19393e-05 19
5519 83 C 27.0658 19.3324 12.6966 -0.000333563 1.22214e-05 0.00434109 19
5520 84 C 27.0644 18.5725 11.3606 0.00149724 0.00291337 -0.00124241 19
5521 85 C 26.1018 19.2097 10.325 0.000946661 0.000349553 0.00458605 19
5522 86 C 26.3119 18.7933 8.87837 -0.00109611 -0.000782284 -0.00694248 19
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5525 89 C 26.5868 19.6366 5.6909 -0.001337 0.00181444 -0.000569164 19
5526 90 C 27.1336 19.8177 4.25786 0.000208092 0.00112273 -3.30043e-05 19
5527 91 C 27.8836 18.5885 3.68021 0.000979896 0.00273557 0.00451346 19
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5529 93 C 27.1693 18.8484 1.19883 0.00542174 -0.000692261 0.00109765 19
5530 94 C 19.332 16.8473 33.2693 -7.76009e-05 0.00082182 0.000281879 19
5531 95 C 19.3664 17.3483 34.7134 -0.00366158 -0.000679968 -0.000782411 19
5532 96 C 18.058 17.0281 35.5087 -0.00406109 0.000170504 0.000308736 19
5533 97 C 17.9921 17.2672 37.0597 0.00241546 -0.00105906 0.00310807 19
5534 98 C 18.8557 16.2721 37.9067 0.000809223 0.00313722 -0.00288902 19
5535 99 C 18.3716 16.0784 39.3808 0.00288328 -0.00060917 0.0048443 19
5536 100 C 18.0701 17.4056 40.1451 -0.0017714 -0.00157611 0.00552196 19
5537 101 C 18.472 17.4841 41.6426 -0.00360493 0.00518477 -0.00249819 19
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5539 103 C 18.0632 17.3689 44.1099 -0.00620817 -0.00186972 -0.00233222 19
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5541 105 C 17.6358 17.5681 46.6237 -0.00494062 0.000183177 0.00530567 19
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5548 112 C 25.4879 21.3959 40.4037 -0.000631874 -0.00170379 0.00133786 19
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5550 114 C 25.8841 21.4838 42.933 -0.00598592 -0.000285977 0.00113733 19
5551 115 C 25.3036 22.0994 44.2335 0.00304326 -0.00122061 0.00176757 19
5552 116 C 25.8957 21.4774 45.4918 0.00122628 -0.00258661 0.00055811 19
5553 117 C 25.2344 22.0207 46.7631 -0.00150226 -0.00156025 0.00165684 19
5554 118 C 24.9837 13.3241 33.7713 0.00311848 0.00543577 0.00297619 19
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5556 120 C 25.4049 12.5926 36.2567 0.00223219 0.000909528 0.00463131 19
5557 121 C 25.8139 13.1851 37.5898 -0.000709201 0.000740983 -0.00248312 19
5558 122 C 25.7919 12.165 38.7391 -0.00303444 -0.00196367 0.00124906 19
5559 123 C 26.1422 12.8194 40.0823 -0.00363486 0.00426218 0.00080968 19
5560 124 C 25.5394 12.1344 41.3352 0.00130283 0.000907726 -0.000912764 19
5561 125 C 25.9551 12.8088 42.6279 -0.000532652 -0.00295069 0.00174159 19
5562 126 C 25.2288 12.2601 43.8442 -0.00312793 -3.98262e-05 0.00227037 19
5563 127 C 25.8486 12.7585 45.1475 -0.000269669 -0.00231949 -0.00101372 19
5564 128 C 25.287 12.1627 46.4149 0.00057089 -0.00262172 -0.00223196 19
5565 129 C 26.1835 12.377 47.6663 -0.00539097 0.000621519 3.25261e-05 19
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5595 159 H 30.4949 18.0356 10.6929 0.00147256 0.00202226 0.00141988 19
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5625 189 H 30.9526 12.907 8.43672 0.00339612 -0.00142008 0.0165322 19
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5628 192 H 31.6825 12.2357 6.13282 -0.00172309 0.00246592 0.00236218 19
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5636 200 H 31.0724 13.6151 1.08644 -0.00376396 0.00108934 0.0021701 19
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5664 228 H 18.6131 17.4697 32.7223 -0.0109572 -0.00516965 0.00777992 19
5665 229 H 18.9675 15.8153 33.196 0.000183338 -1.96243e-05 0.0108965 19
5666 230 H 20.2057 16.9249 35.2788 0.00640731 -0.00134693 -0.0162941 19
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5668 232 H 17.2606 17.6013 35.0197 0.000515684 0.00398048 -0.00271261 19
5669 233 H 17.8523 15.9628 35.3463 -0.00360077 4.08818e-05 0.000573361 19
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5679 243 H 18.5183 18.5479 41.9065 0.00502173 0.00092915 0.0132344 19
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5687 251 H 17.3387 18.6185 46.5157 -0.00211074 0.000756021 0.00314416 19
5688 252 H 17.0543 17.1627 47.461 0.00364607 0.00323341 0.0127469 19
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5701 265 H 25.4753 20.3022 40.4882 0.00314027 -0.00297668 -0.0144254 19
5702 266 H 26.5048 21.7191 40.1492 0.000533979 -0.000860654 0.00708111 19
5703 267 H 25.2213 23.1058 41.7651 0.0100724 0.00155946 0.00565211 19
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5712 276 H 25.315 21.2658 47.5549 -0.00751215 0.00217436 0.00581549 19
5713 277 H 25.7081 22.9509 47.1001 0.00717823 -0.00681665 0.00395892 19
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5722 286 H 26.4931 11.3665 38.4665 -0.0138241 -0.00854119 -0.00736174 19
5723 287 H 24.8279 11.6446 38.797 -0.00564595 0.00253018 -0.001979 19
5724 288 H 25.7198 13.8316 40.1021 -0.00208241 0.00478446 0.00735964 19
5725 289 H 27.2321 12.9205 40.1558 -0.00368667 -0.000370879 0.00791491 19
5726 290 H 25.797 11.0683 41.3578 0.0139978 0.00374088 -0.0129378 19
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5728 292 H 25.7993 13.8944 42.6036 0.00724476 -0.00184921 0.00126606 19
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5731 295 H 24.184 12.5899 43.7886 -0.00722815 -0.0119713 0.00876876 19
5732 296 H 25.6135 13.8271 45.2258 -0.00116235 -0.0022644 -0.00447215 19
5733 297 H 26.9406 12.6549 45.1628 -0.00104545 -0.00967202 0.00469031 19
5734 298 H 25.1787 11.0881 46.2227 -0.00429434 -0.00343831 0.00510452 19
5735 299 H 24.2627 12.5135 46.5911 0.00316178 0.0028312 0.00191146 19
5736 300 H 27.0781 11.7469 47.5884 -0.00669503 -0.00106667 -0.00131263 19
5737 301 H 25.6373 12.0854 48.5719 0.00265026 -0.00322501 0.00363936 19
5738 302 H 26.4832 13.4283 47.7587 0.00730432 -0.00298464 -0.000259395 19
5739 1 C 29.0967 27.3761 31.3918 0.00307315 -0.00110985 0.00163754 20
5740 2 C 29.3594 27.2673 30.0181 -0.00341982 0.000468473 -0.00106499 20
5741 3 C 28.9293 26.1624 29.3128 -0.00278148 0.00433691 0.00302573 20
5742 4 C 28.2211 25.1395 29.9778 0.00318034 0.0037403 0.0043545 20
5743 5 C 27.9985 25.2042 31.3921 -0.00186141 -0.00180534 -0.00244831 20
5744 6 C 28.436 26.3399 32.0867 -0.00392963 7.93437e-05 -0.00823121 20
5745 7 C 23.5793 23.9514 30.546 -0.000421895 -0.00456612 0.00315058 20
5746 8 C 23.7849 23.9313 29.1585 -0.000491429 0.000854275 -0.00517637 20
5747 9 C 25.1048 23.973 28.6859 -0.000487199 -0.00354684 0.000508326 20
5748 10 C 26.1668 23.9423 29.5934 0.000177056 0.00529599 0.001206 20
5749 11 C 25.9337 23.9315 31.0048 0.000886508 -0.0023877 0.00101786 20
5750 12 C 24.6034 23.9555 31.4787 -0.0034997 -0.00108841 -0.000244265 20
5751 13 C 29.1609 20.5662 31.3266 0.00135007 0.00255913 -0.00118342 20
5752 14 C 29.2948 20.6047 29.9493 -0.00437117 0.000113795 0.00561628 20
5753 15 C 28.7739 21.6696 29.2613 -0.00241619 0.000170229 -0.00347309 20
5754 16 C 28.1403 22.7019 29.952 0.000397973 -0.00514069 -0.000868559 20
5755 17 C 27.6219 23.9333 29.2255 0.00199601 0.00181209 -0.00140837 20
5756 18 O 28.5358 21.5516 33.4198 2.13338e-05 0.00266158 0.00135574 20
5757 19 O 24.324 24.0005 32.8512 -0.000728694 -0.000507527 0.000938141 20
5758 20 O 28.1003 26.5751 33.4354 -0.00335938 -0.0022891 -0.00139021 20
5759 21 C 28.548 21.635 32.0575 0.00231374 -0.00584521 0.00117059 20
5760 22 C 28.0003 23.9532 27.778 0.00503589 0.00425758 0.000479941 20
5761 23 C 28.5597 23.8917 26.7094 -0.00106472 -0.00293198 0.00327082 20
5762 24 C 29.3782 23.8453 25.495 -0.00486478 0.000737979 0.00147672 20
5763 25 C 30.4653 22.9621 25.3998 0.00116113 -0.00195126 0.00244029 20
5764 26 C 31.2675 22.9669 24.2412 -0.00277309 0.00546348 -0.000520739 20
5765 27 C 31.0415 23.9321 23.2405 -0.000499 0.00166043 -0.000711165 20
5766 28 C 30.0017 24.862 23.3468 0.00260855 0.00264722 -0.00168479 20
5767 29 C 29.168 24.8191 24.4738 -0.00180213 0.000609314 0.00227607 20
5768 30 C 31.7707 23.9105 22.0583 0.00303265 -0.00418365 -5.76299e-05 20
5769 31 C 32.2523 23.9482 20.9499 0.00141933 0.000521493 -0.00290252 20
5770 32 C 30.5355 20.6999 18.7263 -0.000280887 -0.00632181 -0.00354261 20
5771 33 C 30.6753 20.6727 17.2843 0.00217699 -0.00208314 0.00295184 20
5772 34 C 31.4178 21.7013 16.6356 0.00663853 -0.000757095 0.000824744 20
5773 35 C 32.0144 22.701 17.4162 0.00361258 -0.00124146 -0.00235369 20
5774 36 C 31.8532 22.717 18.8321 0.00450957 0.00306306 -0.00194829 20
5775 37 C 31.1619 21.6839 19.4771 0.00333393 -0.000922005 0.000666064 20
5776 38 C 32.5324 23.9212 19.5134 0.00191156 -0.000737224 -0.0018047 20
5777 39 C 36.3857 23.9803 19.2562 0.00256993 0.0025969 -0.00081596 20
5778 40 C 36.5238 23.8447 17.8487 -0.00118479 0.000978246 0.000686894 20
5779 41 C 35.411 23.7899 17.0465 0.000857157 -0.0016778 3.51128e-05 20
5780 42 C 34.1783 23.7654 17.664 -0.00160677 0.00130572 -0.000972788 20
5781 43 C 34.0086 23.817 19.0731 -1.97627e-05 -0.000646369 0.00164915 20
5782 44 C 35.1642 23.9382 19.8713 -0.000767962 0.00357239 -0.00263308 20
5783 45 C 31.2134 27.4706 18.5809 0.00255287 -0.000102853 0.000865119 20
5784 46 C 31.5905 27.4625 17.2392 -0.00111474 -0.00729823 -0.00241219 20
5785 47 C 32.2111 26.3539 16.6522 0.00247899 0.004344 0.00144034 20
5786 48 C 32.2794 25.1517 17.3707 0.00150395 0.00409075 0.00757724 20
5787 49 C 32.8699 23.8652 16.8692 -0.000131545 0.0011948 0.000128827 20
5788 50 C 32.0099 25.1629 18.755 0.00403586 0.00803498 -0.00159862 20
5789 51 C 31.5211 26.3415 19.3504 0.00167277 0.000564988 -0.00204747 20
5790 52 O 35.559 23.8263 15.6663 0.00118231 0.00189482 -0.00296201 20
5791 53 O 31.5725 21.7672 15.2638 0.000874494 0.000723889 -0.00197121 20
5792 54 O 32.7339 26.37 15.3747 -0.00513902 -0.000596287 -9.54869e-05 20
5793 55 C 27.2261 23.9595 31.8346 -0.000889072 -0.00222432 0.000218682 20
5794 56 C 27.9973 22.7037 31.3479 -0.00211896 -0.00248271 0.000794324 20
5795 57 C 36.1957 22.8176 14.9208 -0.00224138 0.00195114 0.00265823 20
5796 58 C 35.1973 22.1064 14.0133 0.00124121 0.00336796 -0.00378623 20
5797 59 C 35.085 22.5738 12.5396 0.00278497 0.0022153 -0.000945586 20
5798 60 C 34.0412 23.6955 12.3106 0.00238872 -0.00249485 -0.00563306 20
5799 61 C 33.5894 23.7923 10.8417 -0.000708907 -0.00235468 0.000121379 20
5800 62 C 34.6308 23.5495 9.73957 0.00137977 -0.000397257 0.0012974 20
5801 63 C 33.9471 23.5953 8.33683 0.00154427 -0.00339969 -0.000696375 20
5802 64 C 34.9083 23.3342 7.16633 0.00146523 -0.00193388 -0.00236831 20
5803 65 C 34.1666 23.4562 5.82701 0.00013399 0.00304279 2.97169e-05 20
5804 66 C 35.0907 23.2602 4.60599 -0.000451886 0.00172481 0.000694887 20
5805 67 C 34.2936 23.3992 3.29806 -0.00474882 -0.00230832 -0.00102588 20
5806 68 C 35.1888 23.3813 2.05737 -0.000552396 0.00026031 0.00209112 20
5807 69 F 32.3554 22.1626 24.1606 -0.000658251 -0.000100124 0.000831098 20
5808 70 C 31.0255 20.807 14.4077 -0.0022109 -0.00205553 0.002803 20
5809 71 C 31.057 21.3931 12.9904 -0.00195361 -0.000871036 0.00302141 20
5810 72 C 30.5281 20.4124 11.8981 -0.00114629 -0.00155354 0.000708948 20
5811 73 C 30.0177 21.1074 10.6091 4.7463e-05 0.000756563 0.00052592 20
5812 74 C 30.9325 20.8694 9.4007 -0.00388386 -0.00260182 0.000918221 20
5813 75 C 30.5336 21.6209 8.12834 0.000908535 -0.00220079 -0.000446964 20
5814 76 C 31.1744 21.0673 6.84717 0.00430198 -0.000819082 -0.000930173 20
5815 77 C 30.6733 21.7825 5.58453 -0.000634283 0.000733802 -0.00131896 20
5816 78 C 31.2397 21.1566 4.34892 0.000250836 0.00225839 0.000669121 20
5817 79 C 30.8321 22.0231 3.13707 -0.00684525 0.000839094 0.00225062 20
5818 80 C 31.4181 21.4679 1.82982 -0.000798123 -0.000963903 0.00155825 20
5819 81 C 30.5658 20.3418 1.21923 -0.00467031 0.000661662 0.00358711 20
5820 82 C 32.7422 27.5598 14.539 -0.00108946 0.000175332 -0.0039848 20
5821 83 C 33.2144 27.3036 13.0674 0.000140237 -0.00362159 0.00161473 20
5822 84 C 33.6041 28.6221 12.3218 0.000122868 -0.00293853 -0.00138557 20
5823 85 C 33.6372 28.4971 10.7536 0.000639832 -0.00104051 -0.00298692 20
5824 86 C 34.6541 27.511 10.162 0.00114745 0.00259555 0.000586268 20
5825 87 C 34.2821 26.9652 8.8059 0.00134802 7.28622e-05 -0.00229532 20
5826 88 C 34.2216 28.0152 7.68344 0.00122161 0.00534404 0.00307068 20
5827 89 C 33.2293 27.4708 6.65451 -0.00150167 -0.00156845 0.00180455 20
5828 90 C 33.3956 27.9228 5.15743 0.00132942 -0.00473227 -0.00386246 20
5829 91 C 34.6375 27.261 4.48277 -0.000460332 0.00295357 -0.00455664 20
5830 92 C 34.4941 27.1852 2.94241 -0.00169061 -0.000703187 9.95042e-05 20
5831 93 C 34.4926 28.5664 2.27939 0.000459418 0.000279051 -0.00372518 20
5832 94 C 23.0932 23.5729 33.4263 -0.00125957 0.00288066 0.00131562 20
5833 95 C 22.9415 24.1938 34.8327 -0.00173319 -0.000682182 -7.76148e-05 20
5834 96 C 22.1278 23.368 35.8051 0.0003712 -0.00216718 0.000671951 20
5835 97 C 22.1129 23.9754 37.2317 -0.00303423 -0.00160778 -0.00242608 20
5836 98 C 21.0211 23.3628 38.1195 -0.00152055 -0.000659408 0.00285978 20
5837 99 C 20.8502 24.0828 39.4435 0.00365984 -0.00175714 0.000645185 20
5838 100 C 21.844 23.6121 40.5212 7.32434e-05 0.000944926 0.0046511 20
5839 101 C 21.5389 24.2972 41.8452 0.00400748 -0.0022516 0.00082677 20
5840 102 C 22.2526 23.7313 43.1215 0.00178485 -0.00466995 0.0020762 20
5841 103 C 21.5888 24.3317 44.3739 0.00270059 -0.00288244 0.00129858 20
5842 104 C 22.3007 23.9796 45.6816 -0.00341585 0.00176024 -0.00635618 20
5843 105 C 21.6325 24.6291 46.8995 -2.89729e-05 -0.00131217 -0.00127039 20
5844 106 C 28.7734 27.6215 34.2019 8.52455e-05 0.00118496 0.00517369 20
5845 107 C 28.363 27.6719 35.6679 0.00214497 -0.0021401 -0.00127986 20
5846 108 C 29.5193 28.0565 36.5693 -0.00204618 -0.00151508 -0.000835368 20
5847 109 C 29.1611 28.1431 38.0844 0.000709274 -0.000420141 0.00581641 20
5848 110 C 30.4559 28.3278 38.9447 -0.00248228 0.00369618 -0.000286002 20
5849 111 C 30.3597 27.7525 40.3526 -0.00175734 -0.000639985 -0.00221933 20
5850 112 C 29.3295 28.4682 41.2349 0.0046483 0.000364915 -0.000137589 20
5851 113 C 29.2944 27.9305 42.6933 -0.0019221 0.000851187 -0.000274316 20
5852 114 C 30.2641 28.5195 43.7252 -0.000699184 -0.00168741 0.00222246 20
5853 115 C 29.801 27.9749 45.0849 -0.00197849 0.000190616 0.00129148 20
5854 116 C 30.3986 28.7167 46.2819 0.00072292 -0.00304115 -0.00225411 20
5855 117 C 29.5565 29.9515 46.654 -0.00421782 -0.000944438 0.00143794 20
5856 118 C 29.194 20.43 34.089 0.00037918 -0.00371054 -0.000138687 20
5857 119 C 29.1731 20.539 35.5997 0.000606745 0.000661453 -0.00154129 20
5858 120 C 29.6258 19.2526 36.2299 0.00133288 -0.000763244 0.00246261 20
5859 121 C 30.1315 19.3686 37.6722 -0.00225152 0.000883519 -0.00142227 20
5860 122 C 29.2549 19.9463 38.8017 0.00262495 -0.00224814 -0.00135883 20
5861 123 C 29.6784 19.3454 40.1416 -0.000814783 0.00252483 -0.000988842 20
5862 124 C 28.9097 19.8677 41.3378 -0.000459736 0.000376792 0.00295878 20
5863 125 C 29.4243 19.2628 42.6717 0.00439734 -0.000808246 0.00215729 20
5864 126 C 28.7583 19.8308 43.9242 -0.00375316 -0.00272325 0.00389474 20
5865 127 C 29.46 19.2362 45.1569 -0.00178527 0.00171329 0.00291592 20
5866 128 C 28.9239 19.6848 46.5104 -0.00224637 -0.00219182 0.00222911 20
5867 129 C 29.6513 19.0678 47.6964 0.00282548 -0.00129776 -0.00151631 20
5868 130 F 30.74 22.1367 26.4436 -0.00256433 0.00276124 -0.00143451 20
5869 131 H 29.4824 28.2435 31.9194 -0.00586097 0.00697864 -0.00514837 20
5870 132 H 29.9635 27.9836 29.469 9.2466e-06 0.00536893 0.00913357 20
5871 133 H 29.2399 26.0956 28.2743 0.00258133 -0.00625741 0.0053004 20
5872 134 H 22.5416 23.9343 30.8656 -0.00553861 0.00853906 -0.0127435 20
5873 135 H 22.9508 23.9091 28.4635 0.000934479 -0.0133848 -0.00643708 20
5874 136 H 25.3316 23.987 27.624 -0.000653691 0.00271279 0.000555933 20
5875 137 H 29.6575 19.7547 31.8503 -0.0153915 -0.00662678 0.000407164 20
5876 138 H 29.8123 19.8024 29.4318 -0.00504562 0.0102368 -0.010712 20
5877 139 H 28.9039 21.6344 28.1837 -0.00382004 0.00601342 -0.00382555 20
5878 140 H 29.7946 25.5414 22.5252 -0.00234224 0.00142705 -0.00144789 20
5879 141 H 28.3212 25.4975 24.5211 -0.00697982 -0.00546842 -0.0030537 20
5880 142 H 30.0185 19.9015 19.2505 0.00948866 0.00186943 0.0185716 20
5881 143 H 30.1325 19.9369 16.6982 0.00166517 -0.0108648 0.0144765 20
5882 144 H 30.9781 21.6494 20.5468 0.0174587 -0.00531337 0.00292592 20
5883 145 H 37.263 24.1188 19.8811 -0.000338006 0.0090487 0.00183939 20
5884 146 H 37.4912 23.9649 17.37 0.00286637 -0.00352162 0.00776292 20
5885 147 H 35.1231 24.0236 20.9532 0.00395489 -0.000483621 -0.00212909 20
5886 148 H 30.8358 28.3546 19.0863 0.0115181 0.00808152 -0.00676474 20
5887 149 H 31.5193 28.3991 16.6941 0.000440685 -0.00561425 0.000272905 20
5888 150 H 33.0002 23.8518 15.7801 0.0011629 0.0114134 0.0001564 20
5889 151 H 31.3167 26.3632 20.4168 0.00492401 -0.0051691 -0.00130562 20
5890 152 H 27.0518 23.967 32.9177 0.00134145 -0.0031279 0.00058519 20
5891 153 H 37.0894 23.1768 14.3957 -0.000298975 0.00488588 0.00796648 20
5892 154 H 36.5108 22.0241 15.6095 -0.0160384 -0.00511515 0.000864691 20
5893 155 H 34.2259 21.9709 14.5047 -0.000236641 0.00699785 -0.00570646 20
5894 156 H 35.6838 21.1319 13.8823 0.00486598 0.00312512 0.0115325 20
5895 157 H 34.6718 21.7159 11.9949 -0.0110147 0.00865607 -0.000681749 20
5896 158 H 36.0458 22.8508 12.0883 0.00401769 -0.00267701 -0.00132587 20
5897 159 H 34.4832 24.636 12.6621 0.001527 -0.00159872 -0.00695398 20
5898 160 H 33.1584 23.5604 12.9476 0.00344869 0.00637336 -0.00227598 20
5899 161 H 33.1658 24.7868 10.6549 0.01327 0.00131422 -0.0121614 20
5900 162 H 32.7831 23.0529 10.7614 -0.00794454 0.00447133 0.00967621 20
5901 163 H 35.1666 22.5985 9.84815 0.00444063 0.00194642 0.00673196 20
5902 164 H 35.4022 24.327 9.80123 0.0116183 -0.0113316 0.0110973 20
5903 165 H 33.4465 24.5592 8.18241 -0.00623162 -0.00891479 -0.00983453 20
5904 166 H 33.1536 22.8378 8.34256 0.00222432 -0.00414021 -0.00527893 20
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5907 169 H 33.6729 24.4325 5.74652 0.00103134 0.00404885 0.0067758 20
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5924 186 H 31.972 21.1409 9.62218 6.7412e-05 -0.00453202 -0.0151533 20
5925 187 H 30.9094 19.7851 9.23576 0.00507382 -0.00429476 0.01072 20
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5943 205 H 34.1419 26.7215 13.1336 -0.00371815 -0.00818397 0.0155314 20
5944 206 H 32.4674 26.7347 12.5001 0.00204218 -0.0142248 0.00974412 20
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5950 212 H 34.6941 26.6811 10.8783 0.00728734 0.00277945 0.000456922 20
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5952 214 H 33.2977 26.4965 8.92728 -0.00352345 0.0116976 0.00296472 20
5953 215 H 33.8682 28.9794 8.06921 0.000736444 0.00326235 0.00783736 20
5954 216 H 35.1989 28.1897 7.2167 0.00573502 -0.000614442 0.0103201 20
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5957 219 H 32.5111 27.6093 4.58939 0.00765232 -0.000897181 -0.0158365 20
5958 220 H 33.4715 29.0142 5.07705 0.00966518 -0.00502614 -7.48556e-05 20
5959 221 H 35.5602 27.8046 4.72066 0.000952783 0.00392836 -0.0122208 20
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5964 226 H 33.5334 29.0662 2.46278 0.00582653 0.00115212 0.0217877 20
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6043 3 C 32.6494 19.2355 28.6002 -0.00188041 -0.000618039 0.00174518 21
6044 4 C 31.9836 18.2816 29.3595 0.00363137 0.00356651 0.000704513 21
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6054 14 C 33.024 13.7875 29.7413 3.50692e-05 -0.00183991 -0.000524429 21
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6057 17 C 31.3334 17.0471 28.7808 -0.00142945 0.000845556 -0.00189508 21
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6081 41 C 39.1831 17.2228 16.9095 0.000776319 0.00121246 0.00202389 21
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6084 44 C 39.0409 17.0089 19.7352 0.00153859 0.00125444 0.00198631 21
6085 45 C 34.5695 20.397 18.5861 -0.00126232 0.000307907 0.000739736 21
6086 46 C 34.7028 20.3481 17.1984 0.00153591 0.00259486 0.000544103 21
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6098 58 C 38.2983 17.0888 13.3918 0.00218494 0.00117552 0.00121029 21
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6100 60 C 38.5259 17.25 10.8601 0.00082413 0.00290891 0.00164339 21
6101 61 C 38.235 15.7975 10.3745 0.000520055 -0.00168956 0.0029955 21
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6103 63 C 38.1287 16.5116 7.85026 -0.000902364 -0.00185874 0.00164585 21
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6105 65 C 38.338 16.8394 5.27457 -0.00308329 -0.000906524 0.000956395 21
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6114 74 C 38.5271 11.6515 10.5962 0.00288433 -0.00167799 -0.000657137 21
6115 75 C 38.2101 10.9319 9.26874 0.000311501 0.000195451 0.00151187 21
6116 76 C 38.123 11.8458 8.10128 0.00578831 0.00581965 0.00124713 21
6117 77 C 38.0264 11.0443 6.7869 0.00373816 -2.31304e-05 -0.00129806 21
6118 78 C 38.2484 11.8892 5.54841 0.00377353 -0.00291579 -0.00264515 21
6119 79 C 38.2812 11.1527 4.18186 0.000894694 -0.000563799 -0.00192196 21
6120 80 C 38.7521 12.0623 3.03677 0.001178 0.000754468 0.00139404 21
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6123 83 C 34.0004 18.7294 13.1945 0.00014286 0.00240915 0.00170076 21
6124 84 C 35.0542 18.0548 12.2947 0.00372913 0.000867682 0.00232919 21
6125 85 C 34.6853 18.0138 10.7725 -0.000495863 -0.00163468 -0.00131944 21
6126 86 C 34.4655 19.4307 10.223 -0.00178628 0.00170054 -0.000655396 21
6127 87 C 33.9517 19.4275 8.77871 -0.00361538 -0.00157546 -0.00125084 21
6128 88 C 34.7991 18.7615 7.70698 -0.00022603 -0.00111517 -0.00168519 21
6129 89 C 34.4228 19.3427 6.3245 -0.00193247 0.00269793 -0.0015876 21
6130 90 C 35.0947 18.6044 5.14337 -0.00612142 0.00114197 0.00470236 21
6131 91 C 34.4128 19.1394 3.8623 0.00622435 -0.000536463 0.00202226 21
6132 92 C 34.9665 18.4386 2.60381 -0.00118953 -0.00127684 -0.00507299 21
6133 93 C 34.3007 18.9645 1.27528 -0.00487189 -8.86938e-05 -0.000105175 21
6134 94 C 26.8213 17.064 33.0094 -0.00435973 0.00372372 -0.00151969 21
6135 95 C 26.8046 17.2422 34.5247 -0.000304281 -0.00525721 0.00240863 21
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6137 97 C 25.3393 17.0612 36.745 0.000455429 -0.00358228 0.0010805 21
6138 98 C 26.5178 17.6742 37.5308 -0.00160791 0.00470742 0.00294671 21
6139 99 C 26.2509 17.8137 39.077 -0.0019426 0.000345826 0.000290442 21
6140 100 C 25.5972 16.6158 39.7539 -0.00678365 0.000182571 0.000475661 21
6141 101 C 25.6223 16.5226 41.3311 0.000412409 -0.00208881 -0.000932161 21
6142 102 C 25.3869 17.8575 42.0976 -0.00201955 -0.00287068 0.00108678 21
6143 103 C 24.8443 17.6398 43.556 -0.000539694 0.00145616 0.0028986 21
6144 104 C 25.7665 16.9885 44.5639 -0.000741592 0.000585792 0.00392451 21
6145 105 C 25.1378 16.9604 45.9604 -0.00212653 0.00182863 0.00348761 21
6146 106 C 33.3063 20.506 33.4655 -0.00055989 -0.000890541 0.000993808 21
6147 107 C 33.0471 20.6348 34.9596 -0.0019424 0.00134379 -0.00195592 21
6148 108 C 33.4413 22.0468 35.5075 0.00354497 0.000978926 0.00036067 21
6149 109 C 32.8657 22.3476 36.8803 -0.006449 -0.00162821 -0.000681545 21
6150 110 C 33.64 21.6425 38.003 -0.00334905 0.00176612 0.00105529 21
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6152 112 C 33.6969 21.3112 40.5367 0.00187451 0.000293164 -0.00525529 21
6153 113 C 32.8523 21.5341 41.801 0.00523432 0.00051788 0.00216738 21
6154 114 C 33.6525 21.3658 43.0896 -0.000879471 -0.00163998 -0.000603327 21
6155 115 C 32.7926 21.5606 44.3486 0.000896158 0.00114981 -0.000566892 21
6156 116 C 33.6004 21.7546 45.65 -0.000185433 -0.00355373 0.00316615 21
6157 117 C 33.8066 20.457 46.4327 -0.00153931 0.00342547 0.0026774 21
6158 118 C 32.0492 13.7732 34.0024 -0.00365711 0.00757534 -0.00163607 21
6159 119 C 33.5213 13.3963 34.2903 0.00164281 0.000487018 0.00363859 21
6160 120 C 33.7564 12.5906 35.6025 0.000895474 -0.00447966 0.0024052 21
6161 121 C 33.0822 13.1942 36.8281 0.00076561 0.00133117 -0.0016387 21
6162 122 C 33.704 12.7253 38.1513 0.00182804 0.000388748 -0.00434243 21
6163 123 C 32.9167 13.1279 39.3875 0.00172041 -0.00154127 0.000654662 21
6164 124 C 33.5584 12.7193 40.7607 -0.004466 0.000782057 -0.00248053 21
6165 125 C 32.6971 13.1605 41.9041 0.000373513 0.000231696 -0.00285336 21
6166 126 C 33.369 13.0259 43.2898 -0.000483545 0.00126034 -0.00258315 21
6167 127 C 32.4024 13.2138 44.4529 -0.0015217 -0.00285148 0.000953502 21
6168 128 C 33.1156 12.9356 45.7666 0.00471922 -0.0032399 -0.000374292 21
6169 129 C 32.173 13.2207 46.97 -0.00246926 -0.00205536 -0.00147821 21
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6189 149 H 34.237 21.1333 16.6103 0.0100328 0.0135801 0.00846297 21
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6199 159 H 39.1419 17.7018 10.0727 -0.0100952 0.0060832 -0.00509622 21
6200 160 H 37.5545 17.7595 10.8489 -0.00195228 -0.00235203 0.0023782 21
6201 161 H 37.542 15.297 11.062 0.00972696 -0.0123239 0.00452369 21
6202 162 H 39.1648 15.2159 10.3489 -0.00174912 -0.00514254 -0.00102457 21
6203 163 H 36.4643 15.9259 9.03864 0.00455857 0.00251283 -0.000640542 21
6204 164 H 37.5982 14.6313 8.69067 0.00609932 -0.000738964 -0.00529979 21
6205 165 H 39.221 16.5217 7.95119 -0.0022838 0.00976697 0.0154332 21
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6207 167 H 36.6332 16.0275 6.32086 0.000175778 0.00538681 -0.00203277 21
6208 168 H 38.1105 14.9896 6.35307 0.00454916 2.85591e-05 0.00483024 21
6209 169 H 39.4316 16.8108 5.35665 -0.00246998 0.00550213 -0.00498188 21
6210 170 H 38.1063 17.9047 5.39608 0.000897697 0.00166111 -0.0138915 21
6211 171 H 36.788 16.4032 3.75187 -0.000507993 -0.0201396 -0.00462704 21
6212 172 H 38.121 15.2836 3.71899 -0.00485375 -0.00338839 -0.00907449 21
6213 173 H 39.5901 17.1533 2.76411 0.00256676 0.00196445 -0.0157145 21
6214 174 H 38.2056 18.1784 2.7945 -0.00333007 0.00353788 0.00965278 21
6215 175 H 36.8529 16.5347 1.32468 0.000954387 -0.00387828 0.000929041 21
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6217 177 H 38.3845 17.1003 0.584713 0.000160207 8.1189e-05 -0.000992494 21
6218 178 H 37.7075 13.8572 15.0797 0.00448764 -0.0202834 0.0175119 21
6219 179 H 36.5064 12.6412 15.5022 0.00364928 0.000251305 -0.00899511 21
6220 180 H 35.6916 12.4814 13.4271 0.00666366 -0.0105145 -0.0157901 21
6221 181 H 36.0878 14.199 12.9711 0.011666 0.0070639 0.001154 21
6222 182 H 38.3846 13.6729 12.6356 -0.00204553 0.00568595 0.00954084 21
6223 183 H 38.1521 12.0265 13.2618 0.00573548 0.0109928 0.00731761 21
6224 184 H 36.4302 11.771 11.2192 -0.000265418 0.00193832 -0.00634087 21
6225 185 H 37.0621 13.2221 10.5545 0.000863374 0.000418404 -0.00508625 21
6226 186 H 39.3564 12.3447 10.4086 0.00242004 -0.0017804 -0.00310814 21
6227 187 H 38.8306 10.8557 11.2877 0.00189764 0.0076343 0.0104667 21
6228 188 H 39.0309 10.2322 9.06879 -0.00388163 -0.00777677 0.0122381 21
6229 189 H 37.2707 10.3952 9.45017 0.00142427 -0.00285861 -0.00183081 21
6230 190 H 37.2623 12.5185 8.20184 -0.00367369 -0.00663122 0.00331714 21
6231 191 H 38.9904 12.517 8.11729 0.0207332 -0.0133765 -0.00635989 21
6232 192 H 38.7705 10.2384 6.77116 0.00786659 0.00386284 -0.00541831 21
6233 193 H 37.0325 10.5948 6.67153 0.00187456 0.00352831 0.000915523 21
6234 194 H 37.4708 12.6629 5.53263 0.00565634 -0.000954668 0.000664666 21
6235 195 H 39.2057 12.4162 5.64399 0.00505417 -0.00869422 0.0161658 21
6236 196 H 38.969 10.2982 4.19511 -0.00140733 -0.00257863 -0.0110391 21
6237 197 H 37.2987 10.7125 3.97137 -0.00467153 0.00714858 0.00795267 21
6238 198 H 37.9963 12.8388 2.86572 0.00148519 0.00274909 0.0091391 21
6239 199 H 39.7108 12.5071 3.33084 0.00365194 0.00155018 -0.00788719 21
6240 200 H 37.9689 10.9283 1.41245 0.0039674 0.0057908 -0.015029 21
6241 201 H 39.2019 12.063 0.94302 0.00632775 -0.00425111 -0.00495247 21
6242 202 H 39.6944 10.5325 1.79679 0.00661106 0.00452346 0.00778119 21
6243 203 H 34.2542 17.3932 14.8934 -0.00828474 -0.00321956 0.00297534 21
6244 204 H 33.3447 18.8868 15.2523 -0.00492447 -0.00595124 -0.00615514 21
6245 205 H 32.9936 18.4027 12.9063 0.00705646 -0.0103664 -0.00793927 21
6246 206 H 34.0377 19.8061 12.9879 -0.000718089 0.00590589 0.0198859 21
6247 207 H 36.0235 18.552 12.4236 0.00880976 -0.00746071 -0.00368036 21
6248 208 H 35.1726 17.0098 12.6068 0.00566196 0.00339009 0.0100128 21
6249 209 H 35.4446 17.5004 10.1698 0.00846466 -0.00226507 0.0105391 21
6250 210 H 33.7701 17.4315 10.6092 -0.0127023 0.014918 0.00814899 21
6251 211 H 33.6975 19.9757 10.7856 -0.00296835 0.00466689 -0.00513009 21
6252 212 H 35.3947 20.0006 10.3466 -1.5052e-05 -0.00089516 -0.00199516 21
6253 213 H 32.9646 18.9489 8.76972 -0.00449627 0.000175752 0.00214285 21
6254 214 H 33.8398 20.4852 8.51005 0.0112126 0.00153352 0.00477308 21
6255 215 H 35.8591 18.9296 7.93385 0.00305436 -0.00599195 -0.0134342 21
6256 216 H 34.656 17.6759 7.77301 0.0157289 -0.00359095 -0.00778031 21
6257 217 H 33.3348 19.3235 6.18567 -0.00536947 0.00627088 0.0249638 21
6258 218 H 34.7612 20.386 6.30544 -0.00613178 0.00385671 -0.0120943 21
6259 219 H 36.1672 18.8347 5.13116 -0.00397368 -0.00952524 -0.00676494 21
6260 220 H 34.9263 17.5206 5.1623 0.015742 -0.002112 0.0109466 21
6261 221 H 33.3314 18.9616 3.91219 0.00714854 -0.00335942 0.0119843 21
6262 222 H 34.5889 20.2073 3.68366 0.00928705 -0.000608127 0.00464602 21
6263 223 H 36.0481 18.616 2.55798 -0.000312335 0.000558641 0.0226632 21
6264 224 H 34.8937 17.3461 2.67102 0.00549243 -0.00216104 -0.0119692 21
6265 225 H 34.4508 20.0443 1.1539 0.00298778 -0.000926956 0.00215657 21
6266 226 H 34.7472 18.4707 0.403401 -0.000552754 0.000109331 0.00199783 21
6267 227 H 33.2316 18.7398 1.17484 -0.00523145 0.0049369 -0.0076392 21
6268 228 H 26.1467 17.8254 32.5987 -0.00125426 0.00817882 0.00163159 21
6269 229 H 26.5103 16.0765 32.6468 0.0146454 -0.0056014 0.00758775 21
6270 230 H 27.527 16.5544 34.9813 -0.00607622 -0.00761068 0.00799429 21
6271 231 H 27.2051 18.2549 34.6562 -0.00225155 -0.00446326 0.00223923 21
6272 232 H 24.8328 18.1165 34.9584 -0.0182199 -0.00965533 0.00787499 21
6273 233 H 24.8267 16.3838 34.7484 -4.68353e-05 0.00836447 -0.0125011 21
6274 234 H 24.3515 17.4027 37.0784 0.00131836 -0.00279818 0.00282427 21
6275 235 H 25.3534 15.9945 37.0008 0.00982043 -0.0052952 -0.00659731 21
6276 236 H 27.4275 17.0694 37.431 -0.00251351 0.00516484 -0.00787628 21
6277 237 H 26.7384 18.6707 37.1286 -0.0054283 -0.00421432 -0.0212449 21
6278 238 H 27.2136 17.9951 39.5706 0.0029737 -0.00941814 -0.00568824 21
6279 239 H 25.5793 18.6624 39.2562 -0.0153002 -0.0121334 0.00942539 21
6280 240 H 24.5535 16.5452 39.4236 -0.00625256 0.00396924 -0.00200521 21
6281 241 H 26.1163 15.7327 39.3612 -0.00488128 0.00469816 -0.00715512 21
6282 242 H 24.8635 15.7999 41.6556 -0.00139724 -0.00379642 -0.00896168 21
6283 243 H 26.6178 16.179 41.6382 0.00602192 -0.00331292 -0.020426 21
6284 244 H 26.3389 18.4016 42.1308 0.00270211 -0.0119758 0.0156563 21
6285 245 H 24.6098 18.4087 41.5539 0.0053612 -0.0067485 -0.0133824 21
6286 246 H 24.6048 18.6356 43.9491 -0.00429029 -0.00134587 0.00770655 21
6287 247 H 23.8771 17.128 43.4791 -0.00370158 0.00917123 -0.00911246 21
6288 248 H 26.0001 15.9474 44.3092 -0.00384389 -0.00127778 0.00865341 21
6289 249 H 26.6838 17.5892 44.5978 -0.00654757 0.00950759 0.00335192 21
6290 250 H 24.9753 17.9728 46.3504 0.00925086 0.00531856 -0.000807018 21
6291 251 H 24.2195 16.3613 45.9953 -0.00577717 0.00669102 -0.0094924 21
6292 252 H 25.8204 16.4834 46.6745 0.0137171 -0.00433164 -0.0157872 21
6293 253 H 34.3261 20.1085 33.3922 -0.000708276 -0.00136988 0.00149606 21
6294 254 H 33.1378 21.51 33.0567 -0.00197017 -0.00274614 -0.00297666 21
6295 255 H 32.0022 20.3752 35.1698 -0.00212425 0.00267964 -0.00121903 21
6296 256 H 33.6404 19.9175 35.5401 -0.00862381 -0.00118384 0.001758 21
6297 257 H 34.5288 22.1906 35.5115 0.00274074 0.0075036 -0.0133553 21
6298 258 H 33.1101 22.8441 34.8308 -0.000933955 -0.00895904 -0.00913424 21
6299 259 H 32.9112 23.429 37.0588 0.0135741 -0.00225259 -0.00187266 21
6300 260 H 31.8252 22.0018 36.9143 -0.00536853 -0.00549536 -0.00704014 21
6301 261 H 33.8127 20.5783 37.8007 -0.00243552 6.78394e-05 0.0107515 21
6302 262 H 34.6157 22.1311 38.1159 -0.00751325 0.011341 -0.00435828 21
6303 263 H 32.6473 22.8897 39.492 -0.0207852 -0.00664321 -0.00407645 21
6304 264 H 31.9181 21.329 39.2792 0.00229111 -0.00273162 0.00177439 21
6305 265 H 33.9145 20.2507 40.36 -0.000312314 -0.00216755 0.00691546 21
6306 266 H 34.6337 21.8775 40.6082 0.0020758 -0.00141366 0.0056015 21
6307 267 H 32.408 22.5369 41.817 -0.00554454 -0.00429296 0.00454279 21
6308 268 H 32.0364 20.8012 41.8242 0.00268317 0.00318333 -0.00382578 21
6309 269 H 34.0798 20.3555 43.0992 0.0019673 -0.000475344 -0.00460187 21
6310 270 H 34.4786 22.0872 43.0696 0.000343048 -0.00274805 0.0101537 21
6311 271 H 32.1765 22.4622 44.2443 0.00808747 0.00595748 -0.0014915 21
6312 272 H 32.0703 20.7352 44.3719 0.00399832 -0.00160353 -0.00186418 21
6313 273 H 34.5554 22.264 45.4713 0.00151023 -0.00236342 0.0155647 21
6314 274 H 33.0585 22.4978 46.2477 0.00388449 0.00491352 -0.00362543 21
6315 275 H 34.3116 19.6398 45.9029 0.00900311 0.0108164 0.00132098 21
6316 276 H 34.4506 20.639 47.3019 -0.00580396 0.00992159 0.0044647 21
6317 277 H 32.8128 20.1219 46.7545 -0.00489024 0.00253779 -0.00857679 21
6318 278 H 31.5613 14.0657 34.9404 0.00239039 -0.0152115 0.00860783 21
6319 279 H 31.5037 12.9239 33.5728 -0.00149712 0.00391175 0.00287174 21
6320 280 H 34.168 14.2824 34.2993 -0.00262446 0.00353813 0.00991513 21
6321 281 H 33.8559 12.7579 33.4633 0.00503622 0.00561543 0.0010574 21
6322 282 H 34.8419 12.506 35.7369 0.00421123 -0.0110915 -0.0281734 21
6323 283 H 33.4559 11.5449 35.463 -0.00530484 -0.00192376 -0.00336971 21
6324 284 H 32.0401 12.8531 36.7943 -0.00674712 0.0252012 -0.0094055 21
6325 285 H 33.1554 14.2885 36.803 3.43241e-07 0.00161695 0.00829166 21
6326 286 H 34.7367 13.0698 38.2868 0.00627689 -0.00566984 -0.0229662 21
6327 287 H 33.8038 11.6331 38.1274 -0.00389042 -0.000426545 0.00956148 21
6328 288 H 31.9218 12.6715 39.3141 0.00304711 -0.00449064 0.000990406 21
6329 289 H 32.8137 14.2201 39.3861 0.0070213 -0.00105199 -0.00587877 21
6330 290 H 34.5898 13.0908 40.8035 -0.00539531 -0.000236855 0.0271822 21
6331 291 H 33.6756 11.6286 40.7651 -0.0142659 -0.000298763 -0.00905086 21
6332 292 H 31.7783 12.5612 41.9095 0.0115339 -0.0168268 0.00615151 21
6333 293 H 32.4382 14.2259 41.8668 -0.0135469 -0.00370082 -0.0169075 21
6334 294 H 34.2386 13.6929 43.3391 -0.0005522 0.00128498 -0.00172616 21
6335 295 H 33.7638 12.0036 43.3401 -0.00670081 -0.00103406 -0.000376861 21
6336 296 H 31.5832 12.4885 44.3744 -0.00423469 -0.000212717 0.00489364 21
6337 297 H 31.9755 14.2243 44.4585 -0.0130729 -0.00769005 -0.00656769 21
6338 298 H 33.9896 13.5985 45.7775 0.0081285 -0.00793499 0.00939032 21
6339 299 H 33.4413 11.8883 45.7888 0.00478221 -0.00321089 6.14301e-05 21
6340 300 H 32.6497 13.0242 47.9383 -0.00670511 -0.00611277 -0.000213761 21
6341 301 H 31.2738 12.5939 46.9258 -0.0133819 0.0133407 0.00195047 21
6342 302 H 31.8148 14.2574 46.9877 0.00423305 0.000342529 -0.00691237 21
6343 1 C 36.9542 27.143 30.9313 -0.0020289 0.00430117 -0.0020822 22
6344 2 C 37.2403 26.9894 29.5551 0.00278303 -0.000797601 -0.000337869 22
6345 3 C 36.7922 25.8544 28.8897 0.00362423 -0.00273085 0.000996896 22
6346 4 C 36.0845 24.8585 29.6203 -0.00119772 -0.00266772 -0.00181325 22
6347 5 C 35.8353 25.0218 31.01 -0.00166745 0.00276308 0.00344575 22
6348 6 C 36.2631 26.1937 31.6507 0.00392877 0.00166157 0.00125271 22
6349 7 C 31.3441 23.8195 30.4147 -0.0048704 0.00144172 -0.00473221 22
6350 8 C 31.6098 23.7467 29.0228 0.0020782 -0.00164721 0.000480302 22
6351 9 C 32.9156 23.6269 28.5106 0.00249778 -0.00443492 -0.00180479 22
6352 10 C 34.0063 23.6737 29.3923 -0.00481573 0.00878737 -0.00156413 22
6353 11 C 33.7475 23.8049 30.7872 -0.00175937 -0.000633523 0.00468349 22
6354 12 C 32.4335 23.844 31.2982 0.00278562 0.00132184 -0.00142946 22
6355 13 C 36.8857 20.3894 31.4934 0.00349137 0.000158917 -0.00564652 22
6356 14 C 37.0667 20.3022 30.0962 0.0030041 -0.000738624 0.000788666 22
6357 15 C 36.6647 21.3625 29.2778 0.000279782 0.00323664 0.0033382 22
6358 16 C 36.0266 22.4608 29.8704 -0.0053007 0.00167884 -0.00516634 22
6359 17 C 35.4988 23.6059 29.018 -0.000877002 -9.54774e-05 0.0032028 22
6360 18 O 36.2568 21.5345 33.487 0.000958052 -0.00334135 0.00139302 22
6361 19 O 32.2324 23.8915 32.6712 -1.39344e-05 0.00305337 0.00119044 22
6362 20 O 35.9041 26.2877 32.989 0.00113624 -0.00282263 0.00124461 22
6363 21 C 36.331 21.5297 32.1047 0.000300551 -0.000220314 -0.00272857 22
6364 22 C 35.8461 23.4948 27.6081 -0.00119592 0.00299571 -0.00217711 22
6365 23 C 36.3797 23.4094 26.5103 -0.00316191 0.00617115 -0.00197226 22
6366 24 C 37.1991 23.3625 25.3436 -0.00285936 -4.59583e-06 0.00193877 22
6367 25 C 38.4241 22.6433 25.4094 -0.00501953 -0.00064438 -0.00102395 22
6368 26 C 39.3474 22.8037 24.3829 -0.00120741 0.00154966 -0.00210507 22
6369 27 C 39.0252 23.6157 23.2694 0.00026282 -0.0043491 -0.00436711 22
6370 28 C 37.8183 24.2907 23.1952 0.000766032 -0.0041264 0.00364221 22
6371 29 C 36.8925 24.1583 24.2113 0.00107323 0.00117656 0.00102442 22
6372 30 C 39.8297 23.6533 22.0886 0.000910515 0.00251838 0.00132604 22
6373 31 C 40.2574 23.6746 20.959 -0.00445412 -0.00317456 0.0010734 22
6374 32 C 38.3531 20.6009 18.6241 0.000520904 0.00348701 -0.00355543 22
6375 33 C 38.4966 20.6132 17.2092 0.000218134 -0.00188566 -0.00287235 22
6376 34 C 39.2122 21.6669 16.5998 -0.000138385 -0.00183532 -0.00397859 22
6377 35 C 39.8169 22.6435 17.3885 -0.00527352 -0.00337375 0.000998985 22
6378 36 C 39.7063 22.6044 18.7773 -0.00199917 0.00114721 0.00284608 22
6379 37 C 38.9936 21.5708 19.3892 -0.00435369 0.00279522 -5.13364e-06 22
6380 38 C 40.4432 23.7381 19.5099 -0.0016997 0.0026025 0.00110187 22
6381 39 C 44.3067 23.7367 19.238 -0.00150516 -0.00185372 0.000729515 22
6382 40 C 44.4128 23.8587 17.8337 0.0019578 -0.000181795 -0.00103786 22
6383 41 C 43.2749 23.7799 17.0437 2.37939e-05 0.00189609 -0.00124331 22
6384 42 C 42.0118 23.6674 17.6313 -0.00192927 -0.00211006 0.00350012 22
6385 43 C 41.9125 23.6711 19.0221 -0.00111521 -0.000567286 0.000880376 22
6386 44 C 43.0502 23.5779 19.8415 0.00318525 0.00358586 -0.00376136 22
6387 45 C 38.9331 27.2183 18.8512 -0.00100885 -0.00140094 0.00458345 22
6388 46 C 39.008 27.2383 17.4549 -0.000701338 0.0014631 -0.00129734 22
6389 47 C 39.4966 26.1551 16.7079 -0.00205826 0.000461855 -0.00284563 22
6390 48 C 40.0218 25.04 17.4386 -0.000991276 -0.00102198 -0.000283395 22
6391 49 C 40.7073 23.7663 16.8649 0.000526478 -0.00672315 0.00413282 22
6392 50 C 39.9119 25.0299 18.8401 -0.00143166 0.00186729 -0.00197558 22
6393 51 C 39.3805 26.1191 19.5618 -0.000310151 0.00211924 0.00243318 22
6394 52 O 43.4285 24.0438 15.701 -0.000729707 -0.000852921 -0.00331958 22
6395 53 O 39.3213 21.7341 15.2442 -0.000571168 0.000187864 -0.00154336 22
6396 54 O 39.6106 26.3481 15.3414 -0.000249998 -0.000743413 0.0028353 22
6397 55 C 35.0465 23.8471 31.63 0.00185982 -0.00515786 -0.00218346 22
6398 56 C 35.8519 22.5863 31.2347 0.000806181 -0.00362653 -8.96793e-05 22
6399 57 C 43.772 23.061 14.7515 0.000180673 -0.000497266 -0.00311097 22
6400 58 C 42.682 23.0094 13.7023 -0.000585666 -0.002373 0.00305536 22
6401 59 C 43.1407 22.5202 12.3122 -0.00187143 -0.000589665 0.0014016 22
6402 60 C 42.0036 22.5521 11.282 0.00052117 0.00189857 -0.000782884 22
6403 61 C 42.4718 22.5051 9.82656 0.000436543 -0.00233843 -0.00592442 22
6404 62 C 43.0879 23.8457 9.4287 -0.00227662 -0.000611057 0.000758713 22
6405 63 C 42.6848 24.2939 8.01936 0.00534322 0.000690291 0.00190709 22
6406 64 C 42.8711 23.2464 6.88934 0.00067992 -0.000818925 -0.00141716 22
6407 65 C 42.5503 23.8906 5.54893 -0.000426125 0.00668078 0.0049117 22
6408 66 C 42.6658 22.887 4.38862 -0.00141294 0.000138765 0.0033694 22
6409 67 C 42.3613 23.4842 2.99029 -0.000154193 0.00134529 -0.000796357 22
6410 68 C 43.261 24.6444 2.58541 -0.00188727 -0.001178 0.000463812 22
6411 69 F 40.4753 22.0694 24.3908 -0.00288979 -0.000379496 0.00179772 22
6412 70 C 38.8412 20.728 14.3755 -0.00317522 0.000531962 -0.000513354 22
6413 71 C 39.3449 21.0519 12.9466 -0.00287369 -0.00168144 0.0018568 22
6414 72 C 38.3009 20.7449 11.8181 -0.00209237 3.45693e-05 -0.00259984 22
6415 73 C 38.9412 20.6298 10.4207 -0.00615472 0.00402426 -0.00350917 22
6416 74 C 37.9149 20.4078 9.31388 0.001579 -0.00426537 0.00137532 22
6417 75 C 38.5608 20.245 7.92288 0.00190902 -0.00350756 0.00346894 22
6418 76 C 38.681 21.5347 7.13064 0.00152529 0.00161344 -0.00214911 22
6419 77 C 38.6593 21.1854 5.61664 -0.00431224 -0.000885864 -0.000612797 22
6420 78 C 38.7003 22.4645 4.74875 0.000635192 -0.000683643 0.00161798 22
6421 79 C 38.3357 22.1065 3.31638 -4.96368e-05 0.000107061 -0.000453559 22
6422 80 C 39.2923 21.115 2.63913 0.00226863 -0.00161314 -0.00345 22
6423 81 C 38.7376 20.6861 1.25327 0.00122762 0.00441832 -0.000454779 22
6424 82 C 40.6573 25.8838 14.5276 -0.00347153 -0.00213979 -0.000594804 22
6425 83 C 40.9011 26.9344 13.4189 -0.00356592 -0.000949609 0.00243291 22
6426 84 C 41.3972 26.4876 12.0778 0.00272579 -0.00245034 0.00133689 22
6427 85 C 41.5148 27.7191 11.1499 -0.00295353 -0.0033529 0.00251898 22
6428 86 C 41.977 27.4312 9.70628 -0.000190479 -0.00128543 -0.000716982 22
6429 87 C 42.3089 28.7058 8.90957 -0.00308987 0.00349708 0.000394412 22
6430 88 C 42.8428 28.4212 7.45293 -0.00194101 -0.00161145 0.00148492 22
6431 89 C 41.8431 27.6599 6.53879 0.000109643 -0.00135605 0.0020418 22
6432 90 C 42.3564 27.4249 5.11246 -0.00122413 0.00155485 -0.000927911 22
6433 91 C 42.3798 28.6828 4.19328 -0.000418112 -0.00157731 -0.00106714 22
6434 92 C 42.78 28.424 2.70651 0.00154972 0.00209379 -0.00382258 22
6435 93 C 41.6802 27.6837 1.94584 -0.00222999 -0.000304449 0.00100672 22
6436 94 C 30.9055 23.966 33.153 0.00205369 0.000972868 0.00344055 22
6437 95 C 30.7647 23.7969 34.6544 0.00246828 -0.000594805 0.00247416 22
6438 96 C 29.472 24.4279 35.1469 -0.00403123 -0.000861797 -0.000389513 22
6439 97 C 28.9168 24.0014 36.5384 0.00201503 0.000530198 0.00221351 22
6440 98 C 29.8223 24.1858 37.7828 0.000722105 -0.00111169 -0.00371711 22
6441 99 C 28.985 24.0072 39.0573 0.00180347 0.00131227 -0.00626864 22
6442 100 C 29.8673 23.7428 40.2931 -0.00410403 -0.00222232 -0.00104178 22
6443 101 C 29.0338 23.8915 41.5808 0.000228997 -0.000653568 0.00149752 22
6444 102 C 29.8203 23.5091 42.8396 0.00457962 -0.00145965 0.000103871 22
6445 103 C 29.1349 23.8787 44.1364 0.00626827 0.00421859 0.000971572 22
6446 104 C 30.0421 23.6183 45.3454 0.001389 -0.000357238 0.000897298 22
6447 105 C 29.4934 24.2065 46.6626 -0.000583785 0.000225541 -0.00172563 22
6448 106 C 35.8904 27.5212 33.7211 -0.00295185 -0.00066491 -0.00136051 22
6449 107 C 37.2791 28.0891 33.9819 0.000286204 -7.11038e-05 -0.00198315 22
6450 108 C 37.4616 28.9971 35.2206 0.00087092 0.00490645 0.00113515 22
6451 109 C 36.9867 28.2666 36.5232 0.000470681 0.00101541 0.00205661 22
6452 110 C 37.5457 28.9411 37.7938 0.000211564 0.00300301 6.01644e-05 22
6453 111 C 37.0616 28.1966 39.0537 -0.000633204 0.00327064 -0.000163344 22
6454 112 C 38.0401 28.3453 40.2305 0.000991369 0.00281472 0.00138177 22
6455 113 C 37.5515 27.6842 41.5204 0.000546342 0.00283624 -0.00381416 22
6456 114 C 36.4621 28.495 42.2797 -0.00149044 -0.00128383 -0.00262436 22
6457 115 C 36.5332 28.3181 43.8323 0.00126039 0.000233535 -0.00403425 22
6458 116 C 37.8485 28.8148 44.4177 -0.000834712 -0.00240687 -0.00026526 22
6459 117 C 37.8481 28.7753 45.9994 -0.00122813 0.00475101 -0.00539634 22
6460 118 C 36.8271 20.4704 34.2903 -0.00221557 0.00237932 -0.00110302 22
6461 119 C 36.8002 20.577 35.8306 -0.00424369 -0.000241507 -0.000181532 22
6462 120 C 37.4889 19.3885 36.5118 0.00232072 -0.00212663 -0.00163459 22
6463 121 C 37.9325 19.6229 37.9782 0.00131681 -0.00152614 -0.00363854 22
6464 122 C 36.8622 19.5549 39.0859 0.00194721 -0.00319093 0.000326236 22
6465 123 C 37.5583 19.7497 40.4491 0.00236256 -0.00282521 -0.00356369 22
6466 124 C 36.646 19.5702 41.738 -0.000208897 0.00246035 0.000765749 22
6467 125 C 37.4033 19.6268 43.0636 0.000580162 -0.00211518 0.00151487 22
6468 126 C 36.5638 19.315 44.3185 0.00115827 -0.000504048 0.000384967 22
6469 127 C 37.3315 19.1685 45.6316 0.00107262 -0.00154992 0.00114934 22
6470 128 C 37.865 20.5213 46.1179 0.000571707 0.00292874 -0.00203288 22
6471 129 C 38.8444 20.2715 47.294 -0.00111952 0.0019063 -0.00254159 22
6472 130 F 38.6404 21.8667 26.5364 -0.00289096 0.00085426 0.00295686 22
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6474 132 H 37.7745 27.7703 29.022 0.00840475 -0.00224533 0.00317336 22
6475 133 H 37.0786 25.8228 27.8426 -0.0017824 -0.00343431 -0.000445631 22
6476 134 H 30.3029 23.884 30.7167 -0.00367415 0.0134101 -0.00317351 22
6477 135 H 30.7928 23.7698 28.3076 0.00326741 -0.00601154 -0.00102249 22
6478 136 H 33.0846 23.6011 27.4381 -0.0057616 0.00564917 -0.00335499 22
6479 137 H 37.2753 19.5464 32.0564 -0.000398747 -0.000719343 -0.00427962 22
6480 138 H 37.4825 19.3916 29.6751 -0.014576 -0.00327154 -0.0110694 22
6481 139 H 36.7212 21.2254 28.202 -0.00993403 0.00302922 0.00281569 22
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6483 141 H 35.9682 24.7285 24.2115 0.00115961 0.00128321 -0.0107603 22
6484 142 H 37.77 19.8272 19.1147 -0.00523879 0.00768293 -0.00377367 22
6485 143 H 38.0713 19.7944 16.6364 0.0124173 -0.0153627 0.00728419 22
6486 144 H 38.8693 21.4957 20.4655 0.00678913 -0.00625054 0.000647579 22
6487 145 H 45.2232 23.7618 19.82 0.00653372 -0.00772076 -0.011621 22
6488 146 H 45.4074 23.9995 17.421 0.00269305 -0.00541161 -0.00106178 22
6489 147 H 42.9191 23.4894 20.9159 -0.00564211 0.00993795 -0.00429935 22
6490 148 H 38.565 28.0917 19.3814 0.00152071 -0.000935836 0.00557499 22
6491 149 H 38.6627 28.1208 16.9244 -0.0113462 -0.00010731 0.00302426 22
6492 150 H 40.862 23.7336 15.7793 0.00921498 -0.0141038 0.00559265 22
6493 151 H 39.3619 26.1822 20.6458 -0.00501823 0.0157266 0.00158222 22
6494 152 H 34.8763 23.9526 32.7086 0.00283332 -0.0107194 -0.00148891 22
6495 153 H 44.745 23.3469 14.3335 0.00549595 -0.00727389 0.0045798 22
6496 154 H 43.9271 22.1073 15.2709 0.00730862 0.0125688 0.018854 22
6497 155 H 42.2909 24.0263 13.5746 -0.00226456 -0.00446234 -0.00844018 22
6498 156 H 41.8537 22.3814 14.053 -0.00216658 0.00193908 0.00703456 22
6499 157 H 43.5295 21.5014 12.4317 -0.00245455 0.000437149 0.0121026 22
6500 158 H 43.9762 23.0881 11.8848 0.00226744 -0.000568135 0.0095627 22
6501 159 H 41.3585 23.4228 11.4527 -0.0127651 -0.0105792 0.0128232 22
6502 160 H 41.3413 21.6955 11.4582 -0.00534121 0.00651333 -0.000354245 22
6503 161 H 41.5905 22.3167 9.20107 -0.0137238 0.000667852 0.0131135 22
6504 162 H 43.1705 21.6676 9.70899 0.00821068 0.00474704 -0.0100984 22
6505 163 H 44.1721 23.681 9.45755 -0.00148717 0.00648812 0.0115922 22
6506 164 H 42.9053 24.6833 10.1132 0.00315317 0.0120066 -0.0131547 22
6507 165 H 43.2622 25.1912 7.76463 -0.00987531 0.00682992 -0.0109667 22
6508 166 H 41.6276 24.5868 8.01858 0.00579155 0.00230687 0.00196825 22
6509 167 H 42.2032 22.4063 7.11652 0.0101323 -0.00592733 0.00758314 22
6510 168 H 43.8984 22.8616 6.89508 -0.00424887 -0.0140244 -0.00419247 22
6511 169 H 43.3083 24.662 5.36489 -0.00129939 0.000660857 -0.024088 22
6512 170 H 41.5572 24.3564 5.55702 -0.00594865 -0.00514532 0.00768587 22
6513 171 H 41.9427 22.0744 4.53131 -0.00928514 0.00479935 -0.00986507 22
6514 172 H 43.6706 22.4486 4.42804 0.00476754 0.0152245 0.0140231 22
6515 173 H 41.3301 23.8445 2.88907 0.00037973 0.00332053 0.000788036 22
6516 174 H 42.4964 22.666 2.27224 -0.00914905 0.00649834 -0.00834173 22
6517 175 H 44.3236 24.4405 2.76631 -0.00417227 -0.000465395 0.0147908 22
6518 176 H 43.0307 25.5027 3.22859 -0.00725787 0.00215299 -0.00590146 22
6519 177 H 43.0792 24.9873 1.55934 -0.00563029 0.00376368 0.00277109 22
6520 178 H 39.2849 19.7755 14.6908 0.0156193 0.005871 -0.0108455 22
6521 179 H 37.7524 20.594 14.3826 -0.00192247 -0.00974886 -0.000102604 22
6522 180 H 39.6751 22.0967 12.893 -0.0107353 0.000688764 -0.000227178 22
6523 181 H 40.2545 20.4519 12.8206 -0.0079205 -0.00783224 -0.00521392 22
6524 182 H 37.7344 19.8483 12.0983 -0.00524872 0.00248967 -0.00109895 22
6525 183 H 37.5307 21.526 11.804 -0.00912841 -0.00686679 -0.0012928 22
6526 184 H 39.4995 21.5444 10.1858 0.000189075 -0.00425539 -0.0207312 22
6527 185 H 39.7396 19.8804 10.4861 -0.00918718 0.000619811 -0.00575614 22
6528 186 H 37.3987 19.4767 9.57873 -0.00490629 -0.000594994 0.00160629 22
6529 187 H 37.1925 21.2333 9.3151 0.00367499 -0.00245117 0.0186393 22
6530 188 H 39.5411 19.755 7.97076 0.00389152 -0.000711652 -0.00822471 22
6531 189 H 37.9246 19.5681 7.33944 0.00755136 0.00522438 -0.0128235 22
6532 190 H 37.7555 22.0954 7.31057 -0.00248637 -0.00557717 -0.000270726 22
6533 191 H 39.5801 22.0924 7.4207 -0.00584776 0.0127741 -0.00078595 22
6534 192 H 39.5168 20.5437 5.37892 -0.00677239 -0.00977251 0.0145156 22
6535 193 H 37.7195 20.6577 5.41283 -0.000880119 -0.00581323 -0.00363304 22
6536 194 H 37.957 23.1269 5.20939 -0.00287568 -0.00650129 0.00436062 22
6537 195 H 39.6837 22.9483 4.79492 0.00276995 -0.00407939 -0.00824886 22
6538 196 H 37.3172 21.7086 3.40396 -0.00631233 0.0171332 0.0043392 22
6539 197 H 38.3609 23.032 2.72792 0.00127589 0.00461794 0.00668556 22
6540 198 H 40.2921 21.5456 2.50359 0.00286785 -0.00769 -0.0184793 22
6541 199 H 39.3307 20.173 3.2 0.014077 0.00308682 0.00356216 22
6542 200 H 39.3372 19.9003 0.777359 -0.0105199 -0.0101415 0.00873476 22
6543 201 H 37.739 20.251 1.38281 0.00514223 -0.00661406 -0.00726376 22
6544 202 H 38.6574 21.5632 0.599243 0.00417217 0.00315094 -0.00251061 22
6545 203 H 41.565 25.8104 15.1393 0.00133687 0.00190666 -0.00724279 22
6546 204 H 40.4162 24.9148 14.0735 -0.0227991 0.000105385 0.00493639 22
6547 205 H 39.9241 27.4172 13.2935 -0.00790397 -0.00990974 0.00167157 22
6548 206 H 41.5796 27.6909 13.8322 -0.00406078 0.000240163 0.00106252 22
6549 207 H 42.4006 26.0521 12.1606 0.0040333 0.00162597 0.00683792 22
6550 208 H 40.7883 25.6888 11.6368 -0.00375444 0.00554252 -0.00416914 22
6551 209 H 40.5636 28.2578 11.0583 0.00894662 0.0169124 -0.00227855 22
6552 210 H 42.1889 28.4409 11.6274 -0.00338055 0.000177135 -0.00221074 22
6553 211 H 42.8706 26.7974 9.64859 0.00569893 0.00732704 -0.00436857 22
6554 212 H 41.1741 26.9313 9.15065 0.00171436 0.00520344 -0.00934076 22
6555 213 H 41.4672 29.4091 8.89351 -0.00998189 -0.00475631 0.000726738 22
6556 214 H 43.145 29.1791 9.43908 0.00334954 0.00312398 -0.00941659 22
6557 215 H 43.1393 29.338 6.9286 0.00836768 -0.00698314 -0.00206895 22
6558 216 H 43.7058 27.7536 7.56646 -0.00394437 -0.00359608 0.00512168 22
6559 217 H 41.6203 26.683 6.98533 -0.00683944 -0.00457558 -0.00848569 22
6560 218 H 40.8971 28.2155 6.53526 0.00238038 0.0026473 0.0187194 22
6561 219 H 43.3592 26.984 5.1712 0.00029236 0.00557923 0.00346627 22
6562 220 H 41.658 26.7129 4.65563 -0.000144344 0.00627868 -0.00995781 22
6563 221 H 41.4158 29.2013 4.26536 0.00628229 0.0111913 -0.00324253 22
6564 222 H 43.1314 29.3577 4.62113 0.00617225 -0.0135518 0.00626953 22
6565 223 H 43.0291 29.3565 2.18498 -0.00377636 0.0151354 0.0169583 22
6566 224 H 43.647 27.7527 2.67568 -0.000349389 -0.000842633 0.00655405 22
6567 225 H 40.7698 28.289 1.85493 0.00395058 0.0120996 0.0215431 22
6568 226 H 42.0433 27.3775 0.956997 0.0032401 0.0142174 -0.00146041 22
6569 227 H 41.4326 26.7455 2.45762 0.00252001 -0.00532513 -0.00588555 22
6570 228 H 30.4862 24.9311 32.8428 -0.0220782 -0.0101689 0.00138426 22
6571 229 H 30.2897 23.158 32.739 0.00664379 -0.00209311 0.00261155 22
6572 230 H 30.8225 22.7278 34.8934 0.0195692 0.00105122 0.00573432 22
6573 231 H 31.6197 24.306 35.1163 0.00368031 -0.00604515 0.00623121 22
6574 232 H 29.6774 25.5051 35.1748 0.000936177 -0.00196638 0.00567163 22
6575 233 H 28.6961 24.2311 34.3969 -0.00238887 -0.0132421 0.00115059 22
6576 234 H 28.0037 24.5517 36.797 0.0059616 0.00943683 -0.00291121 22
6577 235 H 28.564 22.9628 36.5537 -0.0115774 0.00515708 0.00392049 22
6578 236 H 30.6165 23.4305 37.7375 0.00227346 9.26518e-05 0.00362835 22
6579 237 H 30.3263 25.1594 37.7439 0.00245913 -0.00213899 -0.00710762 22
6580 238 H 28.4284 24.9387 39.2182 -0.00749265 -0.00472158 -0.00355481 22
6581 239 H 28.2694 23.1835 38.9443 0.00849967 -0.00378309 -0.0115594 22
6582 240 H 30.312 22.7404 40.2646 -0.00885499 -0.00416719 -0.00663706 22
6583 241 H 30.6837 24.4732 40.2335 -0.00737393 0.00123846 -0.00357339 22
6584 242 H 28.6338 24.9121 41.624 0.00489666 0.00219502 -0.0222809 22
6585 243 H 28.1554 23.2361 41.5337 0.0157593 -0.0212161 -0.00197126 22
6586 244 H 30.026 22.4324 42.8822 0.0146629 0.000526608 0.00150103 22
6587 245 H 30.7764 24.0393 42.75 -0.00312671 0.0134348 0.00601103 22
6588 246 H 28.7744 24.9147 44.1311 0.00580845 0.00403376 -0.00323474 22
6589 247 H 28.2318 23.2622 44.2241 0.0072953 0.00203281 -0.00380768 22
6590 248 H 30.2104 22.5382 45.4382 -0.00225564 -0.000244835 0.00876839 22
6591 249 H 30.9994 24.109 45.1306 0.00108086 -0.000472761 -0.000749415 22
6592 250 H 28.4331 23.9529 46.7849 -0.00162986 0.00431173 -0.0022947 22
6593 251 H 30.0871 23.8969 47.5315 -0.00677402 0.0132446 0.00716365 22
6594 252 H 29.5205 25.3029 46.6863 0.00119198 -0.000138763 0.014082 22
6595 253 H 35.343 28.3039 33.1815 -0.0192305 -0.00319641 0.0115334 22
6596 254 H 35.4185 27.3444 34.6955 0.00901588 0.0150134 0.00730512 22
6597 255 H 37.9095 27.2068 34.148 -0.00555832 -0.0044201 -0.00283565 22
6598 256 H 37.6251 28.7374 33.1674 0.0105854 0.00246105 0.00440992 22
6599 257 H 38.4976 29.3576 35.2312 0.00106013 0.00420464 0.00549455 22
6600 258 H 36.9395 29.9535 35.0937 -0.0124415 -0.0043377 -0.0135781 22
6601 259 H 35.8959 28.3557 36.5981 0.00175367 0.0154062 0.00394319 22
6602 260 H 37.2505 27.2018 36.5235 -0.000594747 0.000751284 0.00105901 22
6603 261 H 38.6395 28.9473 37.7111 -0.000983927 -0.0161148 -0.0173549 22
6604 262 H 37.2221 29.9869 37.8641 -0.00530834 0.000822768 0.00715662 22
6605 263 H 36.091 28.6226 39.3365 -0.0035137 0.00161388 -0.00756971 22
6606 264 H 36.9325 27.1236 38.8654 0.00196537 0.00482243 -0.0107643 22
6607 265 H 39.0095 27.9069 39.9631 -0.00015043 0.00583173 -0.0077016 22
6608 266 H 38.284 29.4081 40.3512 0.0026063 0.00280431 -0.00170961 22
6609 267 H 37.1404 26.6978 41.2728 0.00833381 -0.00210123 0.0029886 22
6610 268 H 38.451 27.5423 42.1321 -0.00798254 -0.0100378 0.00571021 22
6611 269 H 36.6013 29.5368 41.9659 0.0243448 -0.0030922 0.00275341 22
6612 270 H 35.4688 28.1934 41.9248 0.00195072 -0.00706313 -0.00735134 22
6613 271 H 35.7116 28.9074 44.2577 -0.000171948 0.00011269 -0.00662877 22
6614 272 H 36.3048 27.2877 44.1317 -0.00489823 0.00400883 0.00430293 22
6615 273 H 38.6734 28.1438 44.1485 0.00185383 0.00181382 -0.00252141 22
6616 274 H 38.0544 29.8117 44.0089 -0.01124 0.0043537 0.0109727 22
6617 275 H 37.8773 27.7568 46.4058 -0.011938 0.00607346 -0.00130642 22
6618 276 H 38.6816 29.3402 46.4347 -0.00151807 0.000981767 5.05301e-05 22
6619 277 H 36.9187 29.261 46.3216 -0.00150773 0.00310554 -0.00373202 22
6620 278 H 36.3767 19.5109 34.0075 0.00755266 -0.000454468 -0.00707704 22
6621 279 H 37.8835 20.4099 34.0009 -3.36321e-06 0.0196092 0.00340098 22
6622 280 H 35.7544 20.562 36.1614 -0.0047897 0.012268 -0.00140709 22
6623 281 H 37.3406 21.4949 36.0929 0.0111495 -0.00985229 0.00170627 22
6624 282 H 38.3874 19.0872 35.9592 0.00396947 -0.00917665 0.00487341 22
6625 283 H 36.7905 18.5444 36.4554 0.00477267 -0.00427513 0.000200467 22
6626 284 H 38.3716 20.6252 38.0556 0.00689248 -0.00481314 0.00727621 22
6627 285 H 38.7026 18.8941 38.2597 3.73543e-05 -0.00900621 -0.0195405 22
6628 286 H 36.363 18.5793 39.0366 0.00144926 -0.00270789 -0.00425082 22
6629 287 H 36.08 20.3095 38.9372 0.00366361 -0.000449971 0.00522232 22
6630 288 H 37.9525 20.7734 40.4407 0.000385483 -0.00203579 -0.000239739 22
6631 289 H 38.4082 19.0633 40.5489 0.00631851 0.0038835 0.00900841 22
6632 290 H 36.0939 18.6237 41.685 0.00804227 -0.00273731 0.00757637 22
6633 291 H 35.8817 20.3571 41.7385 -0.000755307 0.00192607 0.00371173 22
6634 292 H 37.7798 20.6547 43.1344 0.0122086 -0.00711657 0.0120004 22
6635 293 H 38.2412 18.9188 43.0568 -0.00348152 -0.00701528 0.00995104 22
6636 294 H 36.017 18.3858 44.1159 -0.00521657 0.00200895 0.00609992 22
6637 295 H 35.8411 20.138 44.3807 -0.0046396 -0.00562812 0.000726417 22
6638 296 H 38.2082 18.5429 45.4231 0.00541131 -0.00146152 0.0192455 22
6639 297 H 36.6857 18.6749 46.3683 0.00818378 0.00221582 0.0098852 22
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6644 302 H 38.3824 19.7095 48.1151 0.00947816 0.0106543 0.00942151 22
6645 1 C 40.9228 20.4493 31.1857 -0.000821979 0.000897207 -0.000474795 23
6646 2 C 41.1142 20.3181 29.821 0.00122018 0.000400892 0.00189115 23
6647 3 C 40.5468 19.261 29.1224 0.000148823 -0.0034495 -0.00154233 23
6648 4 C 39.9023 18.26 29.8555 0.00488737 0.00133684 -0.00162573 23
6649 5 C 39.6771 18.3416 31.2464 -0.00178933 -0.00101171 -0.00089578 23
6650 6 C 40.1718 19.4878 31.9151 -0.00221893 0.00315592 0.000398224 23
6651 7 C 35.2053 17.0306 30.4903 -0.00125437 0.00143567 -0.00354977 23
6652 8 C 35.457 16.8695 29.1355 -0.000776327 0.00153682 0.000604282 23
6653 9 C 36.7806 16.8226 28.6375 0.00175028 -0.00147802 -0.00104459 23
6654 10 C 37.8135 16.9477 29.5547 -0.000743005 -0.00255044 -0.000602943 23
6655 11 C 37.5753 17.0412 30.9234 0.000704793 0.00296714 0.00187085 23
6656 12 C 36.2432 17.0925 31.4178 -0.00104576 0.00395801 0.000114666 23
6657 13 C 41.0724 13.7655 31.4295 -0.00298277 -0.00314267 0.00192985 23
6658 14 C 41.2206 13.7729 30.0485 0.00251628 0.00339533 0.0022105 23
6659 15 C 40.7419 14.848 29.3251 -0.00264328 0.0017315 -0.000672452 23
6660 16 C 39.9915 15.8176 29.9322 0.00396485 0.000113356 0.0022766 23
6661 17 C 39.3168 16.987 29.1947 -0.00317106 0.0019006 0.0010789 23
6662 18 O 40.1355 14.6941 33.4501 -0.00114608 4.04445e-05 -1.49277e-06 23
6663 19 O 35.9813 17.2491 32.7575 0.00182477 -0.000525198 -0.00297448 23
6664 20 O 39.9431 19.7084 33.2499 -0.000968172 0.00177232 0.000196386 23
6665 21 C 40.3375 14.7894 32.0834 -0.000657219 0.000662226 0.00313731 23
6666 22 C 39.6031 16.9473 27.744 -0.000565921 0.00194834 -0.000601463 23
6667 23 C 40.0178 16.8631 26.6123 0.000597564 0.000199829 0.000173783 23
6668 24 C 40.7433 16.9423 25.3841 -0.00136248 -0.00173743 -0.000545827 23
6669 25 C 40.6552 18.0618 24.5269 0.000848317 0.00299312 0.0017112 23
6670 26 C 41.4957 18.1667 23.4053 -0.000856537 0.00345804 -0.000199953 23
6671 27 C 42.4046 17.1026 23.1583 0.00117195 -0.00214012 0.000561978 23
6672 28 C 42.4515 15.9633 23.9467 0.00250323 -0.0019251 0.00216335 23
6673 29 C 41.651 15.8893 25.1071 -0.000114184 0.00183725 0.00448415 23
6674 30 C 43.1832 17.1677 21.9375 -0.000895995 -1.77981e-05 -0.00423459 23
6675 31 C 43.7053 17.1491 20.8395 0.000694291 0.00205237 0.00228886 23
6676 32 C 42.4264 13.6078 18.6999 -0.00280992 -0.00216497 7.35814e-07 23
6677 33 C 42.7369 13.5295 17.3375 0.00100052 0.0022009 -0.00330582 23
6678 34 C 43.4393 14.5809 16.687 -0.00624376 0.00226282 0.000675076 23
6679 35 C 43.8259 15.7279 17.3955 0.000854514 -8.572e-05 -0.000889032 23
6680 36 C 43.5632 15.7895 18.781 2.03846e-05 -0.00113048 -0.00102304 23
6681 37 C 42.8573 14.7179 19.4124 -0.00220107 -0.00211244 -0.0017156 23
6682 38 C 44.1087 17.0766 19.4526 -8.98401e-05 0.00212358 0.00157098 23
6683 39 C 47.9427 17.0032 19.4963 0.00213561 -0.00237146 -0.0025087 23
6684 40 C 48.192 16.9892 18.0948 0.00185763 -0.00443134 0.001961 23
6685 41 C 47.1482 17.0955 17.2219 -0.00129147 0.00252209 0.00205963 23
6686 42 C 45.8356 17.027 17.7095 -0.00166263 -0.00221802 0.00992718 23
6687 43 C 45.6016 17.0289 19.114 -0.00528086 -0.00195269 -0.00670101 23
6688 44 C 46.6492 17.0604 20.0201 0.000483259 0.000160606 0.00125955 23
6689 45 C 42.3577 20.3006 18.1742 0.00325017 0.00180631 0.0011404 23
6690 46 C 42.5516 20.1581 16.7885 -0.00182914 -0.000135367 0.00174354 23
6691 47 C 43.2912 19.0659 16.2763 0.00579179 0.000693858 0.00218942 23
6692 48 C 43.7545 18.133 17.1998 0.000694189 0.000697877 -0.00145981 23
6693 49 C 44.5916 16.9078 16.8295 -0.000162183 0.00129667 0.00388241 23
6694 50 C 43.5468 18.2373 18.594 0.0010588 0.00336204 -0.00493769 23
6695 51 C 42.817 19.3496 19.0886 -0.00360221 -0.000498986 -0.00448838 23
6696 52 O 47.3727 17.3118 15.8936 0.00499328 0.00345558 0.00178324 23
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6698 54 O 43.5023 18.9047 14.9386 2.11465e-05 -0.00133093 -0.00111164 23
6699 55 C 38.876 17.0803 31.7919 -0.00359277 0.00137552 -0.00231287 23
6700 56 C 39.7677 15.8518 31.3438 0.00133401 0.000227402 -0.000362948 23
6701 57 C 47.8662 16.2374 15.1081 0.0015605 -0.00149082 -0.000707886 23
6702 58 C 47.6548 16.5042 13.6292 0.00378662 -0.00205435 -0.000634746 23
6703 59 C 46.1623 16.7793 13.1739 0.00274642 -1.33918e-05 0.00288434 23
6704 60 C 45.9024 16.8721 11.6412 0.001471 -0.00307616 -0.00206501 23
6705 61 C 46.7168 15.8534 10.8352 -0.00135478 -0.00317723 0.00127498 23
6706 62 C 46.0817 15.4666 9.50516 0.000849321 0.00153549 0.00127949 23
6707 63 C 46.1323 16.5212 8.36638 0.000446468 -0.00389705 0.00192119 23
6708 64 C 46.0738 15.8015 6.97071 -0.00523169 -0.00238305 -0.00319981 23
6709 65 C 46.045 16.7861 5.75514 0.0038136 0.0032955 -0.000661258 23
6710 66 C 46.3007 16.0144 4.39478 -0.0027941 0.00123826 -0.00219698 23
6711 67 C 46.4396 17.03 3.24011 0.00245206 -0.00253771 -0.000481195 23
6712 68 C 46.6154 16.3312 1.9103 0.00311928 0.000683759 -0.00197327 23
6713 69 F 41.3676 19.2236 22.6124 0.00309213 0.00162899 0.000577838 23
6714 70 C 44.2205 13.0699 14.9581 0.00360534 0.00124919 -0.000774039 23
6715 71 C 45.2656 13.0886 13.8346 -0.00384088 0.000395551 -0.00703457 23
6716 72 C 44.7291 13.1575 12.3765 -0.00122482 0.00121136 0.001848 23
6717 73 C 45.6436 12.3191 11.4185 7.27857e-05 0.00404336 -0.00166414 23
6718 74 C 44.9933 12.0451 10.0333 0.000273425 0.00355605 0.000825821 23
6719 75 C 45.8467 11.0289 9.22939 0.00312029 0.00208222 0.00107316 23
6720 76 C 46.6723 11.63 8.0651 0.0016251 -0.00275789 -0.00314798 23
6721 77 C 45.855 11.986 6.8086 -0.00131586 -0.000267051 0.00106599 23
6722 78 C 46.7158 12.3146 5.61451 0.00292992 0.00155756 0.000580525 23
6723 79 C 45.8951 12.4432 4.35164 -0.00236601 -0.00196901 -0.000326892 23
6724 80 C 46.749 12.6159 3.07653 -0.000712796 0.00351903 -0.00243711 23
6725 81 C 45.9156 12.5629 1.78727 0.00300469 0.00265788 -0.000705936 23
6726 82 C 42.4781 19.0214 13.9751 -0.000827236 0.000249408 -0.00430546 23
6727 83 C 43.1815 18.5217 12.6866 0.00153509 0.00094834 -0.00300414 23
6728 84 C 42.3597 18.7466 11.4233 -0.000366816 0.00158836 0.00360837 23
6729 85 C 43.2106 18.7395 10.1263 0.00317617 0.00208776 0.00291423 23
6730 86 C 42.3007 18.9923 8.91515 -0.00294941 0.00163493 0.0010044 23
6731 87 C 43.1234 19.3359 7.67886 -0.00112578 -0.000589683 0.00208434 23
6732 88 C 42.2415 19.725 6.49071 -0.000948946 0.00107506 -0.00319285 23
6733 89 C 41.8033 18.4955 5.66042 -0.00206374 -0.00382334 -0.00164793 23
6734 90 C 42.7455 18.3311 4.4924 -0.000282402 -0.000298334 -0.0023113 23
6735 91 C 42.3369 19.0488 3.18971 0.00334276 0.00139168 -0.00421468 23
6736 92 C 43.3591 18.9116 2.00409 0.00487009 0.00296244 -0.000787905 23
6737 93 C 43.4028 17.4338 1.54218 0.000275286 0.00257497 0.0038323 23
6738 94 C 34.6438 17.0368 33.2305 -0.00266303 -0.00322884 0.00197602 23
6739 95 C 34.5612 17.2804 34.7727 -0.00214562 0.00578798 -0.00219504 23
6740 96 C 33.091 16.9598 35.1941 -0.00668112 0.00244406 0.000217758 23
6741 97 C 32.6024 17.4358 36.5727 0.000697246 -0.00255805 -0.00209282 23
6742 98 C 33.5048 17.1485 37.7738 -0.00209378 1.22701e-05 -0.00725892 23
6743 99 C 32.7905 17.6461 39.0623 -0.000546719 0.000379857 -0.00288358 23
6744 100 C 33.4752 17.2048 40.397 0.00181817 -9.03178e-05 -0.000380776 23
6745 101 C 32.7607 17.6935 41.669 -0.00267104 0.0040603 0.000205451 23
6746 102 C 33.3575 17.0879 42.9731 -1.1283e-05 0.00184447 9.99459e-06 23
6747 103 C 32.6399 17.4964 44.293 0.00182725 7.09905e-05 -0.000285441 23
6748 104 C 33.3436 16.8666 45.5237 0.0013867 -0.000735106 -0.00299277 23
6749 105 C 32.5303 16.994 46.8449 -0.00279968 -0.00107024 0.000611465 23
6750 106 C 40.7178 20.7669 33.8665 0.00197671 0.000135129 -0.000169692 23
6751 107 C 40.5905 20.9434 35.3914 -0.00326442 0.00337054 -0.00195117 23
6752 108 C 41.2958 22.2369 35.9073 0.00112908 2.23782e-06 -0.00290014 23
6753 109 C 41.0472 22.5975 37.4093 0.000961505 0.00142244 -0.000632914 23
6754 110 C 42.1316 22.1987 38.4015 -0.00111401 0.00337778 -0.00207123 23
6755 111 C 42.0019 20.7433 38.9796 -0.00201501 0.00140339 -0.00201814 23
6756 112 C 40.9057 20.6914 40.0377 -0.000183145 -0.00104701 -0.00119871 23
6757 113 C 41.4194 21.1522 41.3927 0.00661629 -0.000488949 -0.00245847 23
6758 114 C 40.4824 20.8094 42.5223 0.00176835 0.00112444 0.00245884 23
6759 115 C 41.1045 20.6921 43.887 -0.000649567 0.0039664 0.00464179 23
6760 116 C 41.7031 21.9965 44.4056 -0.0028296 0.00294232 0.00443525 23
6761 117 C 42.0929 21.7881 45.9063 0.00181461 -0.00268106 -0.000125701 23
6762 118 C 41.0453 13.8486 34.2122 2.9917e-06 -0.00371412 -0.00481435 23
6763 119 C 40.6248 13.6792 35.6751 0.000895932 0.000432309 -0.000633097 23
6764 120 C 41.4691 12.6158 36.3769 -0.00254088 -0.00125073 0.00128097 23
6765 121 C 41.9378 12.9453 37.7865 0.00196343 0.00402324 -0.00279775 23
6766 122 C 40.9509 12.7667 38.9204 0.000945434 0.00135065 0.000299798 23
6767 123 C 41.6244 12.9693 40.2707 -0.00234346 0.0016148 0.00644528 23
6768 124 C 40.6661 12.8543 41.4621 0.00149078 -0.00187676 -0.000529706 23
6769 125 C 41.3702 12.9352 42.8575 0.00393265 -0.000500776 -0.00177598 23
6770 126 C 40.3685 12.8432 44.0084 0.0031485 -0.00380151 0.00145169 23
6771 127 C 40.7514 13.5098 45.3362 1.42441e-05 -0.000984932 -0.00217262 23
6772 128 C 41.9323 12.8167 46.0624 -0.00222109 -0.00036819 0.00221485 23
6773 129 C 41.4214 11.6674 46.8999 0.0020017 0.00351014 -0.000144902 23
6774 130 F 39.7624 19.056 24.7917 0.00103729 0.00068269 0.00256206 23
6775 131 H 41.2565 21.3914 31.6106 0.0067494 -0.000952304 -0.00235037 23
6776 132 H 41.6684 21.0579 29.2509 0.0101531 -0.0109629 -0.00419705 23
6777 133 H 40.6995 19.1849 28.0499 -6.10654e-05 0.00462726 -0.00213823 23
6778 134 H 34.1654 17.0634 30.8017 -0.000523559 0.0168419 -0.00274979 23
6779 135 H 34.5834 16.8337 28.4914 -0.00723652 -0.00720885 0.00982883 23
6780 136 H 36.9914 16.6402 27.5879 -0.000182638 0.00491049 -0.00253249 23
6781 137 H 41.5048 12.8891 31.9032 0.00632184 -0.0111252 -0.0212468 23
6782 138 H 41.772 12.9935 29.5308 -0.000852027 -0.0024796 0.00747582 23
6783 139 H 40.967 14.8753 28.2631 -0.0195964 0.00933542 -0.00405661 23
6784 140 H 43.1194 15.1631 23.642 0.00954288 0.00807397 -0.00874239 23
6785 141 H 41.5987 15.0109 25.7435 0.00101734 -0.00358463 -0.00292008 23
6786 142 H 42.0252 12.755 19.2394 -0.00145381 -0.0073936 -0.00725199 23
6787 143 H 42.4277 12.6594 16.766 0.000159183 0.000796672 -0.000706928 23
6788 144 H 42.73 14.6957 20.4907 0.000248958 0.000311465 -0.00137545 23
6789 145 H 48.783 16.8844 20.1739 0.00127805 -0.00672197 -0.00219949 23
6790 146 H 49.2025 16.9676 17.6975 -0.00118982 0.00671185 -0.00640426 23
6791 147 H 46.4946 17.0836 21.0948 -0.00522773 -0.0190937 0.000844829 23
6792 148 H 41.7889 21.1508 18.539 -0.00688005 -0.00853156 0.00941256 23
6793 149 H 42.1505 20.9599 16.1755 -0.00385899 -0.00506431 -0.00334499 23
6794 150 H 44.8401 16.8265 15.7641 -0.00787696 -0.000536865 0.00223081 23
6795 151 H 42.6024 19.4511 20.1483 -0.00105506 0.0134795 -0.00532481 23
6796 152 H 38.6937 17.0806 32.8736 -0.0037148 -0.00300804 -0.00232976 23
6797 153 H 48.9359 16.1257 15.3241 0.00333919 0.0194077 0.00138866 23
6798 154 H 47.3691 15.2874 15.34 -0.00807684 0.00593956 0.00905083 23
6799 155 H 48.0178 15.5801 13.1626 -0.0110318 -0.00857899 0.000713631 23
6800 156 H 48.255 17.3365 13.2414 0.00342119 5.71293e-05 0.00334538 23
6801 157 H 45.7867 17.7231 13.5883 -0.0191273 -0.00864619 0.00277299 23
6802 158 H 45.507 16.008 13.597 0.00697297 -0.00085546 0.00789849 23
6803 159 H 46.134 17.8639 11.2336 0.0032485 -0.000808949 0.00447951 23
6804 160 H 44.8483 16.6546 11.4293 0.00271353 -0.00969318 -0.00147456 23
6805 161 H 46.736 14.9628 11.4754 0.00355403 -0.000724317 0.00454575 23
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6808 164 H 46.6102 14.5946 9.10047 -0.00317413 0.00869899 -0.019536 23
6809 165 H 47.0179 17.1631 8.44919 0.00532086 -0.0113731 0.00782306 23
6810 166 H 45.2122 17.1098 8.46839 -0.000230085 -0.0017457 -0.016644 23
6811 167 H 45.1768 15.17 6.96622 -0.00231678 -0.00649524 -0.00570686 23
6812 168 H 46.9496 15.1486 6.87059 -0.0141721 -0.0131986 -0.0108637 23
6813 169 H 46.8239 17.5474 5.88625 0.000501144 0.00644193 0.000754819 23
6814 170 H 45.0901 17.3225 5.69168 -0.000168136 -0.00382215 -0.000898324 23
6815 171 H 45.4111 15.4268 4.13616 -0.00386255 0.00400539 -0.00484493 23
6816 172 H 47.1872 15.3753 4.48944 0.00144971 0.0055547 -0.012897 23
6817 173 H 47.3098 17.675 3.41402 -0.00502965 0.00715365 0.00101994 23
6818 174 H 45.5696 17.6975 3.208 0.00460263 -1.93176e-05 -0.00647492 23
6819 175 H 46.7902 17.0459 1.09665 -0.0109068 0.00121845 -0.00452072 23
6820 176 H 47.4185 15.5839 1.90448 0.00275789 0.000279993 0.000287017 23
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6823 179 H 43.3113 12.5036 14.7216 -0.000171371 0.000453866 0.0155262 23
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6825 181 H 45.814 12.1402 13.892 -0.0121981 -0.00463757 -0.010043 23
6826 182 H 43.7472 12.6694 12.4077 -0.0037203 0.00635655 0.00373419 23
6827 183 H 44.6056 14.1848 12.0121 -0.00534338 0.000985706 0.00261691 23
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6829 185 H 45.9071 11.3382 11.8329 0.00849343 0.00545343 -0.00365605 23
6830 186 H 43.965 11.7024 10.2021 -0.000845207 0.0065714 0.000156856 23
6831 187 H 44.921 12.9965 9.49213 -0.0151374 -0.00861002 -0.0184338 23
6832 188 H 46.5415 10.5296 9.9159 0.00221256 -0.00431018 -0.00266722 23
6833 189 H 45.2251 10.2426 8.78362 0.00670709 0.00178968 -0.00342503 23
6834 190 H 47.2239 12.4994 8.44371 0.00155532 -0.00685171 0.00638048 23
6835 191 H 47.4168 10.8704 7.79626 -0.00991789 -0.0165002 0.00368844 23
6836 192 H 45.2503 11.1093 6.5454 -0.00649683 0.0028344 0.00266627 23
6837 193 H 45.1746 12.8179 7.02876 0.0086723 0.010439 -0.00852781 23
6838 194 H 47.2607 13.2428 5.82656 -0.0146435 0.0126383 -0.00274461 23
6839 195 H 47.4365 11.5011 5.46512 0.00412544 0.0039409 -0.00664639 23
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6841 197 H 45.2079 13.2883 4.48223 -0.00455623 -0.00369539 -0.000699666 23
6842 198 H 47.3137 13.5549 3.12988 -0.00102655 0.00349931 0.00127102 23
6843 199 H 47.4547 11.7771 3.03456 0.00330537 0.00594841 0.0167661 23
6844 200 H 46.5743 12.4763 0.914383 0.0109618 0.00242455 0.00532007 23
6845 201 H 45.2172 11.717 1.797 -0.00108103 0.00605097 0.0017868 23
6846 202 H 45.293 13.4585 1.66971 0.00217668 0.00347627 0.00993479 23
6847 203 H 41.6021 18.4327 14.2742 -0.00750026 0.0165748 0.00847412 23
6848 204 H 42.0674 20.0344 13.8821 0.00516604 0.0024537 -0.00653146 23
6849 205 H 44.1194 19.0832 12.5948 0.00159645 0.00198776 0.0039403 23
6850 206 H 43.4081 17.4559 12.8136 0.000682338 0.000528428 -0.00501295 23
6851 207 H 41.6271 17.9318 11.3713 0.00147532 0.000240729 -0.00117928 23
6852 208 H 41.8406 19.7036 11.5585 0.00111629 0.00231633 0.00416599 23
6853 209 H 43.966 19.5344 10.1562 -0.00601956 0.0109005 0.00137178 23
6854 210 H 43.7208 17.7771 9.99593 -0.00255101 0.00165723 -0.0163219 23
6855 211 H 41.6763 18.1144 8.70819 0.00759741 -0.00431349 -0.00564582 23
6856 212 H 41.65 19.834 9.1824 -0.0109165 -0.000187601 -0.0127495 23
6857 213 H 43.7228 20.2296 7.89201 -0.00994526 0.00728367 -0.00598517 23
6858 214 H 43.7536 18.4815 7.40248 -0.00650158 -0.0059998 0.00651192 23
6859 215 H 41.362 20.2532 6.87924 0.00635914 0.0109952 -0.00015818 23
6860 216 H 42.8211 20.407 5.85647 -0.00135329 -0.00677341 -0.0120176 23
6861 217 H 41.7916 17.5862 6.27394 -0.0112971 -0.00473739 -0.00318208 23
6862 218 H 40.7892 18.6678 5.27915 -0.000462738 0.00101115 -0.00373363 23
6863 219 H 43.7327 18.7007 4.79582 -0.00134319 0.00465026 -0.00488838 23
6864 220 H 42.8907 17.2704 4.25323 -0.00626949 -0.00252639 0.00399081 23
6865 221 H 41.3724 18.668 2.83163 0.000664508 -0.00216034 0.00681532 23
6866 222 H 42.2914 20.1363 3.32632 -0.00577257 0.00065636 -0.00160279 23
6867 223 H 43.0697 19.571 1.17654 -0.00679172 0.00337805 0.00362098 23
6868 224 H 44.3472 19.2353 2.35372 0.00151726 0.00702315 0.00494827 23
6869 225 H 43.8381 16.7909 2.31715 0.00990453 0.00737745 0.00243868 23
6870 226 H 42.4059 17.0639 1.27239 0.00392567 -0.00932706 0.00666368 23
6871 227 H 44.0751 17.3223 0.682561 -0.00435487 -0.0102037 0.00187411 23
6872 228 H 34.0367 17.8346 32.7851 0.00684685 0.000799662 -0.00379529 23
6873 229 H 34.2544 16.0557 32.9319 0.00227026 -0.00436924 -0.000702554 23
6874 230 H 35.2161 16.5621 35.2813 -0.0165746 -0.00867904 -0.00399117 23
6875 231 H 34.8668 18.3123 34.9853 -0.0221371 0.0104312 0.00400139 23
6876 232 H 32.3878 17.2963 34.4224 0.0017532 0.0059745 -0.00592918 23
6877 233 H 32.9979 15.867 35.1714 0.00967561 0.000555247 0.0252837 23
6878 234 H 32.3951 18.513 36.5884 -0.00748252 -0.00406246 -0.0069567 23
6879 235 H 31.6499 16.9359 36.7877 0.00214086 -0.00575836 -0.00314315 23
6880 236 H 33.7208 16.0774 37.8707 -0.00299623 0.00144835 0.010747 23
6881 237 H 34.4515 17.6839 37.6306 0.000655614 0.000834774 0.0140975 23
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6893 249 H 34.3132 17.3531 45.6863 0.000983748 -0.00179715 0.00261128 23
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6895 251 H 32.921 16.3524 47.6443 0.00227888 0.0180468 0.0134924 23
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6898 254 H 40.3772 21.7292 33.4649 -0.00664718 2.57737e-05 0.00685783 23
6899 255 H 39.5063 20.9973 35.5494 -0.00255801 -0.00165832 0.00451337 23
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6901 257 H 42.3764 22.1638 35.7329 0.0016019 -0.00244474 0.00103369 23
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6903 259 H 41.0304 23.6919 37.4833 -0.00613129 0.000959951 0.00451955 23
6904 260 H 40.0768 22.2404 37.7755 0.000400849 0.0055122 0.00187946 23
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6906 262 H 42.1277 22.8881 39.2549 -0.00234099 0.000298496 0.000416407 23
6907 263 H 41.768 20.0665 38.1485 0.0124323 0.000641385 -0.00546045 23
6908 264 H 42.9169 20.3961 39.4752 0.00931471 0.00114182 -0.0232154 23
6909 265 H 40.0959 21.3443 39.6894 0.0237748 0.029435 6.96294e-05 23
6910 266 H 40.5491 19.654 40.0269 -0.00273268 -0.000257257 0.00979285 23
6911 267 H 42.3604 20.6188 41.5755 0.0112894 0.0144877 0.0171281 23
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6913 269 H 39.6443 21.5164 42.5574 -0.00652776 -0.00848953 -0.00172691 23
6914 270 H 40.0571 19.8079 42.3826 0.000848613 0.00356131 -0.0119177 23
6915 271 H 40.2931 20.3452 44.5387 0.000381186 -0.00152973 0.0030119 23
6916 272 H 41.8702 19.9068 43.9025 0.0036791 0.00804075 -0.00330484 23
6917 273 H 42.5437 22.3192 43.779 -0.00779974 0.00346804 -0.00196887 23
6918 274 H 40.9018 22.7449 44.3679 -0.0135073 -0.00862043 0.00133616 23
6919 275 H 42.5707 22.7263 46.2141 -0.00724968 0.00471497 -0.00847904 23
6920 276 H 41.2234 21.6429 46.5591 0.00727037 0.00222012 0.00824125 23
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6922 278 H 41.077 12.8548 33.7489 -0.0014604 -0.00853008 0.00547185 23
6923 279 H 42.0412 14.3085 34.2119 0.000713841 -0.00524902 0.00202098 23
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6926 282 H 42.3508 12.4853 35.7374 -0.00341205 -0.0151742 0.00294995 23
6927 283 H 40.9711 11.6385 36.3933 -0.000472485 -0.00232656 -0.000148963 23
6928 284 H 42.2044 14.0091 37.7604 0.0150192 0.000681141 -0.00527733 23
6929 285 H 42.852 12.3893 38.0283 -0.00289404 -0.0076342 -0.0112567 23
6930 286 H 40.4556 11.7892 38.972 -0.0134649 0.00835902 -0.00514513 23
6931 287 H 40.1673 13.5318 38.8568 -0.00149026 -0.00189926 -0.00856403 23
6932 288 H 42.0417 13.9832 40.2362 0.0151476 -0.00594828 -0.00422201 23
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6935 291 H 39.9334 13.6664 41.3783 0.0077819 0.00407618 0.00215029 23
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6938 294 H 40.1135 11.7955 44.2105 0.00851428 -0.00538487 6.72006e-06 23
6939 295 H 39.4449 13.3184 43.6553 0.00774095 -0.00283493 -0.00928537 23
6940 296 H 39.8716 13.5511 45.9901 0.00672391 -0.00115521 0.00687004 23
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6948 2 C 44.8286 27.2928 29.7098 0.000531422 -0.00149195 0.000212067 24
6949 3 C 44.3496 26.1928 29.0204 0.00248706 -0.00181998 0.000734363 24
6950 4 C 43.7337 25.1823 29.7693 -0.000689809 0.00443644 0.00185192 24
6951 5 C 43.57 25.2905 31.1626 0.000128755 0.00115987 0.000645741 24
6952 6 C 43.9928 26.4712 31.8331 0.00341181 -0.00195121 0.00371024 24
6953 7 C 39.1957 23.9449 30.5378 -0.00267364 -0.00341419 0.000203088 24
6954 8 C 39.3707 23.7564 29.1586 0.00548803 -0.000195682 0.00152921 24
6955 9 C 40.6773 23.6541 28.6523 0.00148752 -0.000732487 0.00178035 24
6956 10 C 41.7549 23.8504 29.5261 -0.00131625 -0.00205738 0.00317029 24
6957 11 C 41.5649 23.928 30.9352 0.00212582 -0.00109637 0.000605672 24
6958 12 C 40.2738 23.9727 31.4686 -0.00292297 5.52223e-05 -0.00163605 24
6959 13 C 44.8964 20.7558 31.691 0.00329129 0.00198291 -0.000202545 24
6960 14 C 45.0126 20.6618 30.2804 0.00213268 0.00322743 -0.00188339 24
6961 15 C 44.5554 21.6177 29.442 0.0049189 -0.000815553 0.000368649 24
6962 16 C 43.8482 22.7262 29.99 0.00507841 0.000382195 -0.00203343 24
6963 17 C 43.2458 23.8606 29.1693 0.00174738 -0.001144 -0.00445045 24
6964 18 O 43.9036 21.8981 33.6252 0.00271064 -0.001792 0.00180878 24
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6968 22 C 43.5756 23.7177 27.7387 0.00327288 -0.00485353 -0.0023029 24
6969 23 C 44.0534 23.6457 26.6376 0.000382426 0.00241339 -0.00111233 24
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6973 27 C 46.5221 23.582 23.1499 -0.00299441 -0.00230997 0.00100129 24
6974 28 C 45.3247 24.3331 23.1542 -0.00233521 -0.000551823 -0.000765495 24
6975 29 C 44.5004 24.3215 24.2846 0.00112818 -0.00496566 0.00102872 24
6976 30 C 47.2906 23.6314 21.9482 0.00189543 -0.00247871 0.00206752 24
6977 31 C 47.7582 23.6334 20.8294 -0.00151906 6.48318e-05 -0.000186769 24
6978 32 C 46.121 20.4736 18.4956 0.00186339 0.00044067 0.00308594 24
6979 33 C 46.2341 20.5076 17.1015 -0.00228943 0.00257353 0.00156759 24
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6981 35 C 47.4393 22.6054 17.2682 0.00541424 0.00175812 0.00407354 24
6982 36 C 47.3513 22.5516 18.6676 -0.00103353 0.00458234 0.00338432 24
6983 37 C 46.7168 21.4454 19.2677 0.00404826 0.00134117 0.000479771 24
6984 38 C 48.0301 23.6998 19.4049 0.00172375 -0.00015724 0.000596421 24
6985 39 C 51.8955 23.4434 19.0104 -0.00474608 -0.00265164 -0.00189416 24
6986 40 C 51.9486 23.3863 17.601 -0.00160027 -9.62781e-05 -0.00151505 24
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6989 43 C 49.4777 23.628 18.9185 -0.00226965 -0.000462031 -0.000744458 24
6990 44 C 50.6728 23.5218 19.6881 -1.17321e-05 -0.00224268 0.00399286 24
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6992 46 C 46.6438 27.208 17.2584 0.00222336 -0.000671335 -0.00271827 24
6993 47 C 47.2205 26.1474 16.6162 -0.00321899 0.00132628 0.00134256 24
6994 48 C 47.609 25.028 17.3413 -0.00678003 -0.00224046 -0.00373118 24
6995 49 C 48.2361 23.7956 16.7508 -0.00164778 0.00161482 -0.000783308 24
6996 50 C 47.5172 24.991 18.7536 -0.00277649 -0.00323493 -0.0020707 24
6997 51 C 47.0201 26.1212 19.4284 -0.000901295 -0.00186608 -0.00364019 24
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7000 54 O 47.5053 26.2621 15.2706 0.000418458 0.00259869 -0.000877365 24
7001 55 C 42.8331 24.0841 31.7667 0.0048977 0.00116839 -0.00412405 24
7002 56 C 43.6487 22.8217 31.3927 -0.00025673 -0.00251118 -0.00262049 24
7003 57 C 51.5446 22.5048 14.7809 -0.00459304 0.00105965 -0.00213256 24
7004 58 C 50.7528 21.9561 13.6097 0.00178998 0.000789511 0.00352374 24
7005 59 C 50.2062 22.9817 12.5926 0.00185614 0.000146518 -0.000139743 24
7006 60 C 50.5105 22.5273 11.1595 0.00112201 0.00108936 -0.00545443 24
7007 61 C 49.8282 23.2918 10.0194 -0.00166152 0.00553841 0.00204882 24
7008 62 C 50.3652 22.839 8.64727 0.000422481 0.0038248 0.00251368 24
7009 63 C 49.6855 23.4331 7.4142 -0.00171122 0.000668854 0.0017011 24
7010 64 C 50.2585 22.8317 6.0892 0.000358637 -0.00305471 0.00206955 24
7011 65 C 49.642 23.4605 4.85116 -0.00130561 0.00182633 0.00169328 24
7012 66 C 50.2239 22.8566 3.55905 3.49475e-05 -0.00215055 -0.00077031 24
7013 67 C 50.0292 23.7891 2.31648 0.00372795 0.00297835 -0.000548538 24
7014 68 C 50.9214 23.3061 1.12761 0.00286631 -0.00216898 0.00367693 24
7015 69 F 47.9563 21.9664 24.1921 0.00112101 -0.00204153 -0.00361316 24
7016 70 C 46.6467 20.4162 14.2781 -0.00203542 0.000854755 0.000872715 24
7017 71 C 47.2234 20.4417 12.8519 0.00249842 -0.00083256 -0.00330931 24
7018 72 C 46.3801 21.117 11.7814 0.00122532 0.00264804 -0.00269148 24
7019 73 C 46.9374 20.7734 10.413 -0.00273542 -0.00507451 -0.000713257 24
7020 74 C 46.4146 21.4984 9.17732 -0.000142351 -0.00107727 0.000775614 24
7021 75 C 47.0134 20.9005 7.86589 -0.00186505 0.00184852 0.000786145 24
7022 76 C 46.3649 21.3773 6.54486 0.00439985 -0.00300843 0.00252369 24
7023 77 C 47.0742 20.6409 5.36567 -0.00406897 -0.00413675 -0.0054778 24
7024 78 C 46.3074 20.6968 4.02886 -0.000126013 0.00195654 -0.00139574 24
7025 79 C 46.4123 22.0865 3.36312 0.00188876 -0.00156058 0.00744014 24
7026 80 C 45.6677 22.0722 2.02193 0.00205294 -0.000651531 -0.0014766 24
7027 81 C 46.3411 21.2601 0.910675 -0.000171724 0.000753547 0.00188021 24
7028 82 C 48.6406 26.9638 14.7803 0.00245812 0.000763533 -0.00491422 24
7029 83 C 48.6879 26.7802 13.2559 0.000271521 0.000201402 0.00266747 24
7030 84 C 49.5715 27.7852 12.5059 -0.00145193 -0.00376805 0.00590227 24
7031 85 C 49.399 27.529 11.002 0.00106101 0.00117527 -0.00500256 24
7032 86 C 50.3234 28.3799 10.1429 0.00206049 0.00112484 0.00154122 24
7033 87 C 49.922 28.5187 8.66833 0.000985275 -0.00151127 0.000936487 24
7034 88 C 49.6837 27.1875 7.93803 0.00515926 0.00428211 0.000641029 24
7035 89 C 49.4676 27.346 6.43277 -0.000800935 -0.000590126 -0.00189046 24
7036 90 C 50.6646 27.884 5.73067 -0.0011576 0.00260469 0.000863472 24
7037 91 C 50.6483 27.5013 4.22504 -0.000923812 0.0023071 0.00104438 24
7038 92 C 49.5865 28.22 3.39478 -6.89491e-06 0.000532243 0.00172208 24
7039 93 C 49.7532 27.83 1.90368 -0.00212993 0.00148385 -0.000425357 24
7040 94 C 38.6208 24.1722 33.3021 -0.00495045 -0.000255855 -0.000197707 24
7041 95 C 38.4924 23.9723 34.8342 -0.00312636 0.000974539 0.00416863 24
7042 96 C 37.1123 24.4466 35.2973 -0.00499681 0.00426314 0.000468822 24
7043 97 C 36.6109 24.0737 36.7119 0.00186671 0.000336587 -0.00187196 24
7044 98 C 37.5991 24.2898 37.8869 -0.00288614 0.00107791 -0.00343521 24
7045 99 C 37.013 23.6372 39.1503 0.00295717 0.00121815 0.00382043 24
7046 100 C 37.8147 23.8294 40.4241 0.00150657 -0.00557179 -0.00175899 24
7047 101 C 36.992 23.5067 41.6912 0.00738918 -0.00273624 0.00232455 24
7048 102 C 37.6493 23.9408 43.0129 -0.00261487 -0.00140681 -0.00440293 24
7049 103 C 36.7527 23.5339 44.2052 0.000723426 -0.000366567 -0.000308043 24
7050 104 C 37.1492 24.233 45.5376 -0.000925961 0.00305531 -0.00317467 24
7051 105 C 38.5942 24.074 46.0774 0.0035922 0.00337152 0.00316833 24
7052 106 C 44.12 27.8692 33.9682 -0.00197887 -0.000339183 -0.00330422 24
7053 107 C 44.7788 27.5163 35.2982 -0.00148415 0.00264133 -0.00108794 24
7054 108 C 44.7916 28.6764 36.2925 0.00379906 0.00395022 -0.000957671 24
7055 109 C 45.5994 28.3104 37.5435 0.000895185 -0.000831704 0.00130285 24
7056 110 C 45.5037 29.3618 38.6752 -0.00152973 0.00213173 -0.00243968 24
7057 111 C 44.4646 28.9589 39.7509 -0.00112927 -0.00109244 0.00512414 24
7058 112 C 45.0494 28.1047 40.9376 -0.000535844 0.00383974 0.00431362 24
7059 113 C 45.9401 28.9102 41.9072 0.00423892 -0.00387164 0.00319372 24
7060 114 C 45.2364 29.3497 43.1958 0.000914724 -0.000457448 -0.000205726 24
7061 115 C 45.3522 28.2847 44.3424 0.00403374 -0.00316249 -0.00131498 24
7062 116 C 44.6906 28.7215 45.6258 -0.000517703 -0.00272109 0.00409926 24
7063 117 C 44.9265 27.7748 46.8167 0.00420659 -0.000898791 0.00346132 24
7064 118 C 44.6797 21.1806 34.6265 -0.00278299 -0.000761856 -0.000903597 24
7065 119 C 44.1558 19.8192 35.0061 0.000644152 0.000372222 -0.0055124 24
7066 120 C 45.0786 19.1448 36.0453 0.000381846 -0.00251498 0.000172893 24
7067 121 C 44.9159 19.5873 37.5595 -0.0051349 0.00919015 -0.00569548 24
7068 122 C 46.1885 19.3878 38.369 0.00439032 0.00239529 -0.00033363 24
7069 123 C 45.9911 19.7579 39.878 -0.000398133 0.00380164 0.000756348 24
7070 124 C 45.3054 18.6867 40.6971 -0.00419098 0.00314954 -0.000964443 24
7071 125 C 44.7323 19.2269 42.0678 0.000483118 -0.0024277 0.00239513 24
7072 126 C 45.7177 19.1329 43.2465 -0.000971295 -0.000956569 0.00279797 24
7073 127 C 45.0646 19.6426 44.5803 -0.00179587 -0.000558786 -0.00106312 24
7074 128 C 45.9741 19.691 45.7936 0.00381928 -0.00208647 -0.000157588 24
7075 129 C 45.2606 20.1619 47.056 -0.0008827 0.00206281 0.000575592 24
7076 130 F 46.4269 22.0399 26.4696 -0.000545682 -0.000743972 -0.00194312 24
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7079 133 H 44.5443 26.1065 27.9555 0.00151164 -0.018659 0.00191679 24
7080 134 H 38.1692 24.0025 30.8879 9.55676e-05 -0.0046179 0.0085323 24
7081 135 H 38.5203 23.6493 28.4917 0.00685845 0.00324231 -0.000771304 24
7082 136 H 40.8745 23.453 27.6034 0.00526612 -0.0098646 0.00423184 24
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7084 138 H 45.5206 19.7896 29.8795 -0.00209434 -0.000952311 0.00182338 24
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7087 141 H 43.6266 24.9659 24.2572 0.000746681 -0.00535903 0.00414877 24
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7093 147 H 50.6817 23.6357 20.7681 0.0135842 -0.0205586 0.00578839 24
7094 148 H 46.2107 28.134 19.1105 0.0065917 0.00195238 -0.00876166 24
7095 149 H 46.3149 28.0743 16.692 0.00204203 0.00306906 0.0031026 24
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7097 151 H 46.9401 26.1467 20.5111 -0.00567385 0.0123211 -0.00432983 24
7098 152 H 42.7029 24.1452 32.8542 -0.00712458 -0.00556007 -0.00519746 24
7099 153 H 52.4584 22.9665 14.3871 0.0041473 -0.0143606 7.83028e-05 24
7100 154 H 51.7897 21.6838 15.4659 0.00208423 0.00779641 0.00355073 24
7101 155 H 49.9326 21.3399 13.9982 0.00572483 -0.00398665 0.00426994 24
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7251 3 C 1.59333 32.8734 29.0261 0.00199463 -0.0021706 0.00206687 25
7252 4 C 0.856541 31.8707 29.6738 0.00341915 0.000382393 -0.00266575 25
7253 5 C 0.570812 31.9731 31.0716 -0.000134967 -0.00471616 0.00100449 25
7254 6 C 1.01149 33.0793 31.8249 0.00356037 0.00229162 0.000394146 25
7255 7 C -3.87995 30.6421 30.169 -0.000946948 0.00353722 0.000891915 25
7256 8 C -3.61941 30.5426 28.7875 -0.000480533 -0.00341804 0.000911613 25
7257 9 C -2.28473 30.5765 28.3268 -0.00230087 -0.00316168 0.00449254 25
7258 10 C -1.24799 30.6827 29.2664 0.000267363 0.000141871 -0.00262589 25
7259 11 C -1.53185 30.7551 30.641 -0.0028751 0.00217491 0.0029888 25
7260 12 C -2.86767 30.7832 31.103 0.00298744 0.00031919 -6.40143e-05 25
7261 13 C 1.6655 27.4729 31.4427 -0.00170737 0.00324891 -8.50241e-06 25
7262 14 C 2.024 27.4433 30.0533 0.00014188 0.00727008 -0.00263025 25
7263 15 C 1.51096 28.4294 29.2011 -0.00145193 0.00225212 -0.00131233 25
7264 16 C 0.797961 29.5054 29.7459 -0.00123133 0.00163522 0.000651972 25
7265 17 C 0.225358 30.674 28.9834 -0.00227683 -0.00578293 -0.00253233 25
7266 18 O 0.403526 28.3682 33.2867 0.000593459 0.00189357 -0.00217506 25
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7268 20 O 0.806271 33.2013 33.199 -0.00321262 0.000925803 -0.000279392 25
7269 21 C 0.814268 28.4545 31.9723 0.00355411 -0.00341406 0.00237595 25
7270 22 C 0.643934 30.6559 27.5937 0.00360711 -0.0023832 0.000582394 25
7271 23 C 1.18708 30.6485 26.5097 0.00330292 0.00116217 0.00105848 25
7272 24 C 1.99129 30.7738 25.3409 0.00315657 0.00452523 -0.00240677 25
7273 25 C 1.60482 31.6481 24.292 0.00122768 -0.000724638 -0.000961859 25
7274 26 C 2.45482 31.818 23.192 -0.000780212 -0.00386165 -0.00167011 25
7275 27 C 3.61696 30.9914 23.1088 -0.00126924 -2.3233e-05 -0.00393947 25
7276 28 C 3.92597 30.0857 24.171 0.00325296 0.00503635 -0.000723431 25
7277 29 C 3.10816 29.9218 25.2535 -0.00100236 0.000385224 0.00131015 25
7278 30 C 4.38368 30.8767 21.9103 0.00393424 0.00501061 0.000765013 25
7279 31 C 4.87142 30.804 20.8056 -0.00273565 0.00289014 -0.00350454 25
7280 32 C 3.34244 27.345 18.9034 0.00289058 -0.00112899 0.00536549 25
7281 33 C 3.48001 27.2084 17.5447 0.000454837 -0.00151695 0.000901639 25
7282 34 C 4.10524 28.2196 16.7805 0.00315928 0.00650646 0.0034477 25
7283 35 C 4.59377 29.3729 17.3682 -0.00249651 0.000280478 -0.000139071 25
7284 36 C 4.50649 29.4595 18.7787 0.00193446 0.000979066 0.000616203 25
7285 37 C 3.88212 28.4531 19.5409 -0.00244727 0.00119507 -0.000971305 25
7286 38 C 5.16548 30.736 19.3637 -0.00459003 -0.0036499 -0.00255963 25
7287 39 C 8.99792 30.7815 18.8839 -0.00243614 -3.39649e-05 -0.00590643 25
7288 40 C 9.04066 30.8267 17.4918 -0.00268477 -0.00125471 -0.000179165 25
7289 41 C 7.8533 30.8603 16.7451 0.0024599 0.000494006 -0.000494442 25
7290 42 C 6.64886 30.6548 17.4033 0.00260069 0.000812269 -0.00454151 25
7291 43 C 6.57535 30.7246 18.7999 8.00932e-05 0.00140644 -0.00212855 25
7292 44 C 7.75316 30.808 19.5589 0.000965147 -0.00254651 -0.00214331 25
7293 45 C 3.16887 33.9069 18.2846 -0.000803863 0.00305469 -0.00355608 25
7294 46 C 3.25145 33.7648 16.8912 -0.000143044 -0.00176335 0.0026038 25
7295 47 C 4.00962 32.7079 16.3382 -0.00137006 0.00277156 6.66427e-05 25
7296 48 C 4.52311 31.7566 17.1907 0.00088491 0.000336361 0.00125941 25
7297 49 C 5.29418 30.5759 16.7119 -0.00732161 0.00279927 -0.00233509 25
7298 50 C 4.41469 31.8774 18.5968 -0.00206474 0.00153509 -0.000260601 25
7299 51 C 3.78165 33.0226 19.1258 -0.00410199 -0.00044492 -0.00260112 25
7300 52 O 7.84115 31.008 15.4155 0.0020043 -0.000846671 -0.00036126 25
7301 53 O 4.33823 27.8977 15.4655 0.00541155 -0.00302693 0.000266625 25
7302 54 O 4.19602 32.557 14.998 2.13048e-05 -0.00266174 0.000724605 25
7303 55 C -0.313833 30.7973 31.5517 0.00477113 0.00122387 0.000718551 25
7304 56 C 0.460738 29.5347 31.1115 0.000276461 0.000994012 -0.00126573 25
7305 57 C 8.16603 29.8955 14.5802 -0.00245698 0.00287237 -0.00506529 25
7306 58 C 7.05812 29.7005 13.5062 -0.00100805 -0.00246091 0.00198765 25
7307 59 C 7.01365 30.8705 12.4813 -0.00236338 -0.000520802 0.00022982 25
7308 60 C 6.47171 30.4391 11.1067 -0.000714756 -0.00168447 -0.000495289 25
7309 61 C 7.30283 29.4337 10.2711 0.00116817 -0.00192952 -0.00482717 25
7310 62 C 6.73998 29.2261 8.79916 0.00135571 -0.0013584 0.000733984 25
7311 63 C 6.66459 30.5386 7.99999 -0.00523845 -0.000619886 -0.00109602 25
7312 64 C 6.23234 30.3253 6.53223 0.00256029 -0.00115282 0.00063474 25
7313 65 C 7.28792 29.5226 5.69569 0.00137423 0.000964317 0.00313937 25
7314 66 C 7.43908 30.0577 4.26684 -0.000387093 -0.00302054 0.000968452 25
7315 67 C 6.45605 29.4289 3.24196 0.00291494 -0.000324672 -0.0035562 25
7316 68 C 6.68864 30.033 1.8472 0.000591031 0.00218286 0.00353028 25
7317 69 F 2.04068 32.6238 22.185 -0.00184272 0.0015928 -0.000460249 25
7318 70 C 5.46174 26.9739 15.2707 -4.10984e-05 -0.00356642 -0.000939572 25
7319 71 C 5.07547 25.8554 14.2588 0.00106303 -0.000904027 0.00151907 25
7320 72 C 5.63926 26.02 12.8233 -0.0046792 0.00375131 -0.000492796 25
7321 73 C 6.47959 24.7705 12.3942 -0.00426912 -0.00113392 0.00337285 25
7322 74 C 7.18801 24.8762 11.0772 0.000111455 0.000241667 0.00181551 25
7323 75 C 6.30401 25.3522 9.94257 0.00200038 0.00153141 0.00567795 25
7324 76 C 6.97931 24.9504 8.61831 0.00622938 0.000249726 -0.00199343 25
7325 77 C 6.1959 25.4441 7.43753 -0.000622696 0.00488459 0.0026862 25
7326 78 C 6.7382 24.8175 6.1314 0.00333591 -0.00227987 -0.00143752 25
7327 79 C 6.15049 25.4141 4.8397 0.00091337 0.00134548 -0.00471059 25
7328 80 C 6.89393 24.7439 3.66595 0.00357662 -0.000919651 0.000413857 25
7329 81 C 6.58489 25.4278 2.36186 -0.000359586 -0.00339273 -0.00107146 25
7330 82 C 3.12949 32.0801 14.1926 -0.00393384 -0.00024705 -0.00204743 25
7331 83 C 3.69201 31.8693 12.8066 0.000627509 -0.00136248 -0.000481567 25
7332 84 C 2.68418 32.0427 11.6368 0.00218588 0.00143361 -0.00404376 25
7333 85 C 3.38844 32.2174 10.2783 0.000720354 -0.000871789 -0.00644019 25
7334 86 C 2.48606 32.156 9.07434 -0.00131525 -0.000769131 0.00125839 25
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8157 3 C 13.1397 39.7364 29.3461 0.00370427 0.00336036 0.000628554 28
8158 4 C 12.5232 38.6407 29.9774 0.00257214 -0.00191236 0.00065761 28
8159 5 C 12.322 38.5973 31.3909 0.00153261 0.00304529 0.00642373 28
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8163 9 C 9.41314 37.3383 28.7716 0.00351872 0.00155449 0.00349072 28
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8169 15 C 13.3369 35.1719 29.2908 -0.00618668 -0.00148999 -0.0025633 28
8170 16 C 12.6329 36.1899 29.938 -0.000887915 0.00256985 0.000940092 28
8171 17 C 11.9967 37.3939 29.2343 0.00240245 -0.00353712 -0.00206369 28
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8182 28 C 15.0905 36.236 23.9735 -0.000872619 -0.000990752 0.00449406 28
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8185 31 C 16.4577 37.4279 20.9171 -0.00156564 0.00192644 0.00232393 28
8186 32 C 14.8977 34.1435 18.49 -0.000650257 -0.00277086 -0.00492512 28
8187 33 C 14.9892 34.2362 17.0829 -0.00223403 0.00349587 0.00473004 28
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8189 35 C 16.3 36.3081 17.3277 -0.00291326 0.00178739 0.000574861 28
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8192 38 C 16.7599 37.4407 19.4934 0.0039199 -0.0024064 0.000982368 28
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8195 41 C 19.6906 37.4546 17.0969 -0.00123048 0.000374077 0.0028952 28
8196 42 C 18.3939 37.434 17.6441 0.00177833 0.00586625 -0.00272114 28
8197 43 C 18.2264 37.4132 19.0492 0.00666824 -0.00195863 0.000507459 28
8198 44 C 19.3429 37.4796 19.8987 0.00371322 -0.00208298 0.00386304 28
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8200 46 C 15.371 40.8725 17.2169 -0.000740948 0.00200991 0.00561121 28
8201 47 C 16.0183 39.8193 16.6025 0.00105551 0.000594438 -0.00069329 28
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8203 49 C 17.0864 37.5046 16.8595 0.00189336 -0.00220802 -0.00673364 28
8204 50 C 16.2024 38.7157 18.7839 -0.00342501 -0.00248781 0.00105107 28
8205 51 C 15.592 39.8399 19.401 0.00139995 0.00177986 -0.00144953 28
8206 52 O 19.9046 37.3579 15.7453 0.000731401 0.00151968 0.00236208 28
8207 53 O 15.8227 35.5301 15.1405 0.00116292 0.000822799 0.0025494 28
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8212 58 C 19.7711 35.5911 14.084 0.00214545 -0.00162006 0.00159184 28
8213 59 C 19.6617 36.5222 12.8598 0.000679648 0.0011066 0.000278527 28
8214 60 C 19.0743 35.9157 11.5586 0.00422572 -0.00072735 -0.00340652 28
8215 61 C 18.777 36.9911 10.4916 -0.00106934 0.00086761 -0.00176087 28
8216 62 C 18.7206 36.4252 9.03355 0.00271585 -0.00456621 0.00283059 28
8217 63 C 18.5163 37.4586 7.93725 -0.0047266 -0.000274894 -0.000301014 28
8218 64 C 18.694 36.8121 6.56539 0.00203458 -0.000926417 0.000727456 28
8219 65 C 18.337 37.7848 5.41868 0.00103042 0.00208611 -0.00315714 28
8220 66 C 18.5626 37.0231 4.07873 -0.00361121 -0.00532352 -0.00335498 28
8221 67 C 18.2564 37.9357 2.85403 -0.00310869 -0.0039906 -0.00222953 28
8222 68 C 18.2353 37.179 1.55998 0.00180955 0.0045461 -0.00130506 28
8223 69 F 14.1953 39.5308 22.598 0.00100045 9.58074e-05 0.00130708 28
8224 70 C 15.5931 34.5504 14.1132 -0.00232499 0.00271529 -0.00157385 28
8225 71 C 15.492 35.3689 12.7989 -0.00176497 0.00397584 0.0038451 28
8226 72 C 15.2103 34.4779 11.5626 0.00295657 0.00551292 0.000418823 28
8227 73 C 15.1412 35.3146 10.3085 0.000348757 0.000978128 -0.00158132 28
8228 74 C 14.9259 34.4813 9.0408 -0.000625533 0.00628002 0.00071874 28
8229 75 C 15.0588 35.3545 7.78384 -0.00263674 -0.00115414 0.00179426 28
8230 76 C 14.8631 34.5958 6.46269 -0.00216723 -0.00448386 0.00373013 28
8231 77 C 15.0912 35.5653 5.2866 -0.00122772 -0.00361849 -0.000403349 28
8232 78 C 14.9134 34.9193 3.90322 -0.0020052 0.00277012 0.00295582 28
8233 79 C 14.7198 36.0042 2.86952 0.00390715 0.00137484 -0.0078425 28
8234 80 C 14.3417 35.4174 1.50378 0.00156793 0.000453014 -0.00252132 28
8235 81 C 14.3569 36.5429 0.454259 -0.00130841 -0.00133639 0.00259105 28
8236 82 C 17.3311 39.9488 14.4996 0.00461158 -0.00245285 0.00128658 28
8237 83 C 17.0166 39.8218 13.0132 0.000959268 -0.000924506 -0.000128774 28
8238 84 C 18.2472 40.2031 12.1251 -0.00406706 0.00288909 0.00026455 28
8239 85 C 18.249 41.7028 11.7262 -0.00228799 0.00160426 0.00161071 28
8240 86 C 18.9869 41.9425 10.4126 -0.00164785 0.00401042 0.00473502 28
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8253 99 C 6.0718 38.2107 39.8298 -0.000990913 0.000375438 0.00376822 28
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8256 102 C 5.63033 36.9808 43.5531 -8.2287e-05 0.000441847 0.00242706 28
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8267 113 C 14.1055 42.2342 42.0838 0.00154038 0.00225126 0.00137272 28
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8399 245 H 6.24772 36.0879 43.3953 -0.00199578 0.00216993 -0.0147381 28
8400 246 H 7.09866 37.6955 44.9363 -0.00249839 0.0145018 0.0120547 28
8401 247 H 5.50683 38.4259 45.0769 0.00595561 0.00504873 -0.0230442 28
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8405 251 H 6.36755 35.731 48.0377 0.000998669 -0.0019824 -0.0066974 28
8406 252 H 7.71692 36.1099 47.003 0.00790829 0.00923379 0.00591585 28
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8409 255 H 13.6785 42.3275 34.3686 0.00366569 -0.00406986 -0.00817599 28
8410 256 H 12.2736 41.728 35.2124 0.00502823 -0.000413623 0.000886972 28
8411 257 H 14.0838 40.78 36.9643 0.0100329 -0.00146891 0.00299936 28
8412 258 H 15.1713 41.96 36.1492 -0.00847646 0.0187508 -0.0127179 28
8413 259 H 13.715 43.7521 36.8473 0.00630746 -0.000668056 0.00487275 28
8414 260 H 12.4286 42.6446 37.394 0.00097872 -0.0137179 0.0151735 28
8415 261 H 15.1593 42.9378 38.7676 -0.00436497 0.0105691 -0.00159437 28
8416 262 H 13.6299 43.6302 39.3183 -0.00401619 -0.00130422 -0.00376641 28
8417 263 H 13.2292 40.8031 39.0085 -0.00191466 -0.00971257 0.00345377 28
8418 264 H 14.756 40.9819 39.7646 0.00316092 -0.000889019 0.00789864 28
8419 265 H 12.2752 42.4488 40.963 0.00157719 0.000590468 0.00473972 28
8420 266 H 12.7834 40.7984 41.3134 0.00147097 7.98364e-05 0.0100835 28
8421 267 H 14.9289 41.5112 42.1348 -0.0112518 -0.0119742 0.00616955 28
8422 268 H 14.5241 43.2169 41.834 -0.00623726 0.00506338 -0.000622364 28
8423 269 H 12.7093 43.2672 43.4132 -0.00434744 -0.0057367 -0.00338843 28
8424 270 H 12.7635 41.4792 43.6343 -0.00602972 0.00236901 0.00329575 28
8425 271 H 14.9652 41.678 44.6548 0.00987147 0.00547506 0.00658777 28
8426 272 H 14.9348 43.4517 44.509 0.00652828 -0.00852428 -0.00279883 28
8427 273 H 12.8801 43.4283 46.1403 0.0081794 0.00246478 0.0057374 28
8428 274 H 13.0268 41.6922 46.1883 0.00145211 0.0016432 0.00702746 28
8429 275 H 15.1702 43.7051 47.0201 -0.00348704 0.00209144 0.00408175 28
8430 276 H 14.1939 42.7922 48.1458 0.000265565 0.00674191 -0.00200402 28
8431 277 H 15.4209 41.9651 47.0951 0.010604 0.00522355 0.00410443 28
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8433 279 H 12.2385 32.8308 33.2283 0.00748804 -0.0105478 0.00905391 28
8434 280 H 14.5167 33.7781 34.5598 0.00402442 0.000167569 0.00351627 28
8435 281 H 14.0513 32.1668 34.4256 -0.00219984 0.00458013 -0.00378649 28
8436 282 H 12.5856 32.5774 36.6904 -0.0114401 0.00320042 -0.0106767 28
8437 283 H 13.4661 34.0575 36.8324 -0.00540881 -0.00294996 0.00627882 28
8438 284 H 15.5297 32.834 36.9791 -0.0114424 0.0119884 -0.0206435 28
8439 285 H 14.8142 31.298 36.5033 -0.00426813 -0.00480124 0.00565487 28
8440 286 H 15.0797 31.3324 38.884 -0.000709066 -0.00716151 -0.0152289 28
8441 287 H 13.3282 31.3162 38.5384 -0.00621883 0.00833573 0.0121597 28
8442 288 H 13.2936 33.7892 39.2238 0.0113711 0.00711136 -0.00994579 28
8443 289 H 15.0145 33.8552 39.2224 0.00574675 -0.0135012 -0.0140042 28
8444 290 H 15.1393 32.32 41.1492 0.00348577 0.0100182 0.00686499 28
8445 291 H 13.3974 32.0408 41.0496 -0.00674117 0.00763143 0.010791 28
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8447 293 H 14.8461 34.6558 41.7022 -0.00358059 0.00121284 0.00193483 28
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8450 296 H 13.2287 35.2027 44.4531 -0.000375667 0.000201345 0.00173695 28
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8452 298 H 14.889 35.1307 46.4655 0.000826615 0.00261174 -0.00621183 28
8453 299 H 15.528 33.6435 45.7711 -0.00856408 -0.0116122 0.00973033 28
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8457 1 C 17.4304 33.8545 31.4591 -0.00215918 0.00339061 0.00273265 29
8458 2 C 17.6713 33.7073 30.0753 0.000660861 0.0023814 0.00046152 29
8459 3 C 17.1797 32.6073 29.397 -0.0031774 -0.000351222 -0.00257514 29
8460 4 C 16.4542 31.6433 30.0993 -0.00369443 0.00274252 -0.0015225 29
8461 5 C 16.2378 31.7313 31.5029 5.43054e-05 -0.000132394 0.000551225 29
8462 6 C 16.6905 32.9165 32.1869 0.00143336 0.00126074 -0.002538 29
8463 7 C 11.7758 30.4051 30.8131 0.00280169 -0.000520624 -0.0012433 29
8464 8 C 12.0077 30.4138 29.4284 -0.000386197 -0.00312811 0.000473144 29
8465 9 C 13.2924 30.3645 28.9413 0.00485801 -0.00427577 -0.000867775 29
8466 10 C 14.3424 30.4318 29.8415 0.00379479 -0.00197544 0.000597108 29
8467 11 C 14.1481 30.5175 31.2369 0.000333597 0.000812875 -0.00289403 29
8468 12 C 12.8376 30.4647 31.7392 -0.00348951 -0.00043332 0.000854636 29
8469 13 C 17.2805 27.0568 31.6761 -0.00102559 -0.00186711 -0.00221342 29
8470 14 C 17.265 26.9628 30.2916 -0.000393718 -0.000436189 0.00239989 29
8471 15 C 16.8377 28.0372 29.5243 -0.000279577 0.0011765 0.00315891 29
8472 16 C 16.3061 29.1717 30.1839 -0.00176506 0.00111132 0.003555 29
8473 17 C 15.8087 30.4191 29.4444 0.00156859 0.00227701 -0.000631879 29
8474 18 O 16.7125 28.1573 33.7761 0.000602108 -0.00170032 -0.000741709 29
8475 19 O 12.5448 30.4614 33.1135 -0.000625342 0.00142098 -0.000975407 29
8476 20 O 16.6268 33.0892 33.5839 2.07838e-05 -0.00249864 -0.00281673 29
8477 21 C 16.7566 28.1818 32.3935 0.000427741 0.00160682 -0.000443051 29
8478 22 C 16.1015 30.3491 28.0037 0.00243074 0.00117626 -0.00260808 29
8479 23 C 16.6188 30.3863 26.9219 -0.00122956 0.000950275 0.00167981 29
8480 24 C 17.4485 30.4931 25.7286 0.00345873 -0.00196895 0.000758871 29
8481 25 C 17.5011 31.7279 25.0837 0.00307362 -0.00510293 0.000466572 29
8482 26 C 18.455 31.8419 24.0358 0.0018963 0.00225442 0.00535847 29
8483 27 C 19.1986 30.7357 23.6043 0.00173495 -0.00280313 0.0022843 29
8484 28 C 19.148 29.5003 24.2898 -0.00145954 0.00474715 0.000577177 29
8485 29 C 18.2141 29.3886 25.34 -0.00373214 -0.000495261 -0.00657669 29
8486 30 C 19.984 30.8731 22.4448 -0.00268317 0.00433559 -0.00509671 29
8487 31 C 20.5439 30.903 21.3846 -0.00457371 -0.00134231 0.00244069 29
8488 32 C 19.1841 27.4599 19.3447 -0.00322232 -0.00181986 -0.00102955 29
8489 33 C 19.4468 27.2867 17.9845 -0.00166858 0.00220032 0.00589177 29
8490 34 C 20.1405 28.2942 17.2889 0.002984 -0.000742521 6.26047e-05 29
8491 35 C 20.4982 29.498 17.9439 0.00407522 -0.00379696 0.0023071 29
8492 36 C 20.2646 29.6029 19.3179 0.0017135 0.00128125 0.00162169 29
8493 37 C 19.5968 28.5686 20.0406 0.00106564 0.000485973 -0.00227763 29
8494 38 C 20.8699 30.8714 19.9598 0.0013671 -0.0014272 0.00241703 29
8495 39 C 24.7401 30.8936 19.7884 -0.00285456 0.00419278 -0.00125519 29
8496 40 C 24.8778 30.7958 18.3954 0.00269413 0.00117946 0.001935 29
8497 41 C 23.7858 30.8765 17.5034 0.00170498 -0.00291079 0.00153434 29
8498 42 C 22.5155 30.7993 18.0794 0.00192522 -0.000621639 0.00437436 29
8499 43 C 22.3304 30.8298 19.5024 -0.00279656 -0.00264899 0.00157142 29
8500 44 C 23.4385 30.9089 20.3494 -0.00154771 0.00192337 0.0053526 29
8501 45 C 18.925 34.0565 18.8293 -0.000149396 -0.000546524 -0.000119558 29
8502 46 C 19.1047 33.9466 17.4419 -0.00479221 -0.00197673 0.0021287 29
8503 47 C 19.8779 32.9109 16.8824 -0.0026419 -0.00112905 -0.00252049 29
8504 48 C 20.4273 31.9647 17.754 -0.0030076 0.000407494 -0.00147403 29
8505 49 C 21.2081 30.7085 17.3263 -0.00409872 -0.00295982 -8.29141e-05 29
8506 50 C 20.2379 32.0451 19.1562 0.00107704 0.000175518 -0.00238711 29
8507 51 C 19.5157 33.144 19.6993 0.00527744 -0.000825201 -0.00406181 29
8508 52 O 24.0186 30.951 16.153 0.000301041 0.00187108 0.00135544 29
8509 53 O 20.4936 28.0988 15.9698 -0.00269385 0.00202861 0.000425473 29
8510 54 O 20.0421 32.8017 15.5263 -0.000781657 0.00367702 -0.000342634 29
8511 55 C 15.4454 30.5488 32.0881 0.00185612 0.000544325 -0.0033638 29
8512 56 C 16.204 29.2316 31.614 -0.000155295 0.00149258 -0.00111431 29
8513 57 C 23.6021 29.9537 15.2282 -0.000270613 0.00198551 -0.00317417 29
8514 58 C 23.3609 30.6471 13.8805 -0.00286614 -0.00280723 -0.00116502 29
8515 59 C 22.711 29.7536 12.7709 -0.0024879 -0.000689678 0.00205293 29
8516 60 C 22.6568 30.5602 11.4946 -0.00173174 0.000182908 -0.00408487 29
8517 61 C 22.1446 29.7652 10.2424 0.000579032 0.00226689 -0.000788395 29
8518 62 C 21.9493 30.6873 9.03926 -0.000597427 0.00104007 -0.000233502 29
8519 63 C 21.6471 30.122 7.61089 -0.00466084 0.00242101 0.000480518 29
8520 64 C 22.8678 29.716 6.7875 0.00320151 0.00578102 0.00243849 29
8521 65 C 22.8832 30.1276 5.2878 -0.00253844 0.00707802 -0.00176821 29
8522 66 C 21.6391 29.6686 4.49085 -0.00163758 0.00219487 -0.00362126 29
8523 67 C 21.807 30.0438 2.99693 -0.00082644 -0.00403208 -0.000649968 29
8524 68 C 20.679 29.5602 2.10532 0.00505077 -0.00334901 0.000205987 29
8525 69 F 18.5678 33.0565 23.4468 -0.00161912 -0.000276245 0.00478198 29
8526 70 C 21.0368 26.8249 15.6257 0.000798599 -0.00484783 0.000259812 29
8527 71 C 21.6294 26.8538 14.2266 -0.00129248 -0.00118025 0.000794031 29
8528 72 C 21.9519 25.4492 13.7434 0.00758654 -0.000994295 -0.0037305 29
8529 73 C 22.4604 25.2696 12.2818 0.000928039 -0.00129163 -0.00317844 29
8530 74 C 21.7896 26.0805 11.1594 -0.00153685 -0.00485703 -0.00570062 29
8531 75 C 22.2036 25.5 9.79082 -0.00184766 -0.00469834 -0.00081826 29
8532 76 C 21.5985 26.08 8.52302 0.001777 0.00471738 0.00381852 29
8533 77 C 22.0633 25.3162 7.27507 0.00253872 0.00113074 -0.00303383 29
8534 78 C 21.6948 26.0493 5.94651 0.00100056 -0.00312907 0.000816417 29
8535 79 C 22.3501 25.3971 4.64547 0.00120419 0.00387473 0.00293873 29
8536 80 C 22.3467 26.2975 3.36882 -0.000540562 -0.00172328 -0.000513424 29
8537 81 C 22.9849 25.5781 2.17025 0.00387622 -0.000629023 6.93126e-05 29
8538 82 C 19.0222 32.1136 14.7787 -0.000212241 -0.000369032 -0.00375046 29
8539 83 C 19.4504 31.6692 13.3795 -0.00264294 0.00387548 0.000823586 29
8540 84 C 18.9768 32.5747 12.2403 0.00384425 -0.00191132 0.00112047 29
8541 85 C 18.7424 31.8659 10.9058 0.0022901 -0.00139604 -0.00156664 29
8542 86 C 18.7096 32.8203 9.68263 0.000928806 0.00100304 8.93949e-05 29
8543 87 C 18.5223 32.1392 8.2971 -0.000858013 0.000678073 -0.00259221 29
8544 88 C 18.6681 33.2489 7.24262 -0.00160027 -0.00529022 -6.91439e-05 29
8545 89 C 19.0154 32.7528 5.86193 -0.00282139 -0.00301455 0.00577739 29
8546 90 C 17.8698 32.0812 5.05556 0.00133909 0.00132541 -0.00413999 29
8547 91 C 18.1977 32.1908 3.55952 -0.0022441 0.00112037 -0.000834782 29
8548 92 C 17.3546 31.4025 2.52752 0.00117162 0.000609035 -0.003359 29
8549 93 C 16.0798 32.1559 2.12448 0.00133726 -0.00201368 5.6653e-05 29
8550 94 C 11.1469 30.3905 33.5481 -0.00158277 -0.00253024 -3.79099e-05 29
8551 95 C 10.9903 30.4114 35.1123 6.04516e-05 -0.00169545 -0.00135715 29
8552 96 C 9.62489 30.9103 35.5677 -0.00204508 -0.00160507 0.00170407 29
8553 97 C 9.60949 31.5373 36.9967 0.000797782 -0.00253132 -0.0011605 29
8554 98 C 9.8216 30.5069 38.1368 -0.00176599 -0.00183337 -0.00105761 29
8555 99 C 10.1506 31.2772 39.43 0.00178572 0.000695335 -0.00114363 29
8556 100 C 10.2274 30.4652 40.7231 -0.000160583 0.00258037 -0.00245699 29
8557 101 C 10.4654 31.3849 41.9595 -0.00242979 -0.000331765 -0.00193095 29
8558 102 C 10.5022 30.6421 43.3196 0.00186927 0.00217147 -0.00553033 29
8559 103 C 10.4476 31.6593 44.4639 0.00300622 -3.90755e-05 0.000251489 29
8560 104 C 10.3689 31.0098 45.8445 0.000568057 -0.0017344 -0.00142802 29
8561 105 C 10.1027 31.9521 46.9969 0.0010233 0.00110523 0.000690263 29
8562 106 C 17.1793 34.3045 34.1516 -0.000385022 -0.00196462 -0.00239468 29
8563 107 C 17.1224 34.4147 35.7123 0.00116285 -0.00142501 -0.000217451 29
8564 108 C 18.0713 35.4719 36.3984 0.00276326 0.000273073 0.00995131 29
8565 109 C 17.6649 35.6051 37.8818 -0.000550445 -0.000224308 0.00235324 29
8566 110 C 18.6324 36.415 38.7134 -0.00251179 -0.00198317 -0.00368843 29
8567 111 C 18.2017 36.6544 40.174 -0.000761694 0.00208567 0.000803913 29
8568 112 C 17.984 35.4117 40.9676 0.00200351 0.000777934 -0.00201469 29
8569 113 C 17.8359 35.7947 42.464 0.00121079 0.00277228 0.00516712 29
8570 114 C 17.8614 34.6001 43.3982 0.00130046 -0.000463837 -3.44777e-05 29
8571 115 C 18.0818 35.0211 44.8791 -0.000506196 0.00138879 0.0037432 29
8572 116 C 18.4425 33.8873 45.7977 -0.00201617 0.00218993 -0.00183952 29
8573 117 C 18.6046 34.3334 47.2644 -0.000969269 0.00137093 -0.00290689 29
8574 118 C 17.0991 26.8908 34.4348 0.00237599 0.00236713 -0.0028804 29
8575 119 C 16.9901 27.0026 35.9349 -0.00111402 -0.000595052 0.00427696 29
8576 120 C 17.6832 25.8208 36.7016 0.00187397 -0.00040604 0.000966163 29
8577 121 C 17.6252 25.7775 38.2401 -0.000217582 -0.000818361 0.000540266 29
8578 122 C 17.6112 27.1357 38.9963 -0.00176171 -0.00243515 0.00337638 29
8579 123 C 17.4527 27.0292 40.526 -0.00384592 0.00399627 0.00149833 29
8580 124 C 18.5477 26.2287 41.2223 0.00523878 0.00212429 0.00102168 29
8581 125 C 18.7515 26.4964 42.7028 0.00312859 -0.00187595 0.000778405 29
8582 126 C 17.6524 26.0711 43.7065 0.00514575 -0.00369335 -0.00471232 29
8583 127 C 18.2988 26.0692 45.1094 -0.00199431 0.000689961 -0.00166771 29
8584 128 C 17.3211 25.7294 46.2692 -0.00113484 -0.000232766 -0.00354546 29
8585 129 C 16.3838 26.8694 46.6403 -0.00282953 0.00172171 0.00155731 29
8586 130 F 16.8444 32.8667 25.4811 -0.000498964 -0.00276243 0.00134957 29
8587 131 H 17.9983 34.6515 31.93 -0.00082536 -0.00848803 0.0212756 29
8588 132 H 18.2441 34.4351 29.5082 0.00822594 -0.00856932 -0.00595767 29
8589 133 H 17.3753 32.5392 28.3309 -0.00342508 -0.00508034 -0.00231845 29
8590 134 H 10.7428 30.3373 31.1414 0.0046612 -0.00389132 0.00392173 29
8591 135 H 11.1929 30.3334 28.715 -0.00924958 0.00647757 0.00953855 29
8592 136 H 13.448 30.225 27.8756 -0.00563237 0.0016995 -0.00318065 29
8593 137 H 17.6349 26.1567 32.1696 -0.0124488 -0.0104821 -0.00967594 29
8594 138 H 17.6417 26.0643 29.8117 -0.00918589 -0.00851484 0.0106059 29
8595 139 H 16.9552 27.9656 28.4471 0.0171881 -0.000211643 0.00513629 29
8596 140 H 19.8424 28.7024 24.0436 -0.000730442 0.00563261 -0.000241567 29
8597 141 H 18.2101 28.4414 25.8712 0.00708786 -0.00373019 -0.0121926 29
8598 142 H 18.7389 26.6081 19.8503 -0.00206605 -0.00148522 0.00054638 29
8599 143 H 19.2338 26.3695 17.4435 0.0145505 0.00640037 -0.00776964 29
8600 144 H 19.5356 28.6022 21.1243 -0.0100873 -0.00271476 -0.00283915 29
8601 145 H 25.6005 30.9062 20.4509 -0.010584 -0.00117015 0.00890669 29
8602 146 H 25.8801 30.6898 17.9909 0.00386326 -0.0104823 0.00786406 29
8603 147 H 23.3027 30.9497 21.4262 0.00784636 0.00402352 0.00645607 29
8604 148 H 18.3553 34.8676 19.273 0.0124363 0.0063834 0.00340584 29
8605 149 H 18.6573 34.6261 16.7225 -0.00772907 -0.00248669 0.0034827 29
8606 150 H 21.2669 30.6877 16.2311 -0.012191 0.00603826 -0.000701957 29
8607 151 H 19.3475 33.2135 20.77 0.000472422 -0.00310694 -0.00466562 29
8608 152 H 15.2454 30.6207 33.1643 -0.002422 0.00353066 -0.00435499 29
8609 153 H 24.3857 29.193 15.1249 0.00556645 0.00875331 -0.00877187 29
8610 154 H 22.6831 29.4657 15.5759 -0.00254568 0.00222496 -0.00885952 29
8611 155 H 24.3138 30.966 13.4403 -0.000683787 0.0122881 0.0145938 29
8612 156 H 22.773 31.5601 14.036 -0.00741259 -0.00841472 0.0145001 29
8613 157 H 21.6999 29.5141 13.1228 -0.00346112 -0.0095824 -0.00686935 29
8614 158 H 23.2797 28.8174 12.7112 -0.00418185 -0.00182064 0.00356479 29
8615 159 H 23.629 31.0111 11.2603 -0.00279469 0.00748327 0.00557896 29
8616 160 H 21.951 31.3881 11.636 0.00128674 0.000998664 0.00610581 29
8617 161 H 21.1712 29.3633 10.5496 -0.00848023 0.0222603 -0.00322405 29
8618 162 H 22.837 28.9605 9.96595 0.00370266 0.00933117 -0.0135591 29
8619 163 H 22.8649 31.2874 8.96829 0.00543437 -0.00390277 0.0359426 29
8620 164 H 21.1023 31.3677 9.19105 0.00489781 0.00514553 0.0117815 29
8621 165 H 21.2312 30.9643 7.04432 -0.0130709 0.00232951 0.00654276 29
8622 166 H 20.8996 29.3192 7.60364 -0.00447091 0.00220392 0.00566132 29
8623 167 H 23.049 28.6396 6.89723 0.00084852 0.00467508 -0.00449993 29
8624 168 H 23.7047 30.2237 7.28257 0.00250423 0.0128865 -0.00367862 29
8625 169 H 23.7988 29.7544 4.81276 0.00934886 0.0128375 0.0166209 29
8626 170 H 22.9232 31.2207 5.20414 -0.00640631 0.00742214 0.000894696 29
8627 171 H 20.7397 30.1525 4.8913 -0.00385795 -0.00369266 -0.001515 29
8628 172 H 21.5537 28.5776 4.56585 0.00849973 0.00122639 -0.00588806 29
8629 173 H 22.7355 29.6478 2.56748 -0.00319892 0.00702035 -0.0160416 29
8630 174 H 21.8676 31.1335 2.88555 0.00574123 -0.00421527 0.00115599 29
8631 175 H 19.7119 30.0242 2.33521 0.0056678 -0.00148792 -0.00094859 29
8632 176 H 20.5508 28.472 2.15692 0.000825541 -0.00333842 -0.00987917 29
8633 177 H 20.8566 29.8103 1.05209 0.014911 -7.94446e-05 0.00265961 29
8634 178 H 21.7454 26.4645 16.3816 0.00438694 0.00551789 0.00183331 29
8635 179 H 20.2311 26.0821 15.5768 0.00219429 -0.00570831 -0.00988566 29
8636 180 H 20.9125 27.3443 13.5566 0.00697608 -0.00756383 -0.0127132 29
8637 181 H 22.5171 27.4978 14.2538 -0.00407613 0.00264698 0.00120837 29
8638 182 H 22.6907 24.9987 14.4177 0.00521592 0.0131663 0.00831579 29
8639 183 H 21.0617 24.815 13.8371 0.0124671 -0.00604165 0.00836835 29
8640 184 H 23.539 25.4575 12.2127 -0.000197912 0.0125567 0.0165786 29
8641 185 H 22.3543 24.2037 12.0449 0.00620397 -0.00134999 -0.00528933 29
8642 186 H 20.6984 25.9926 11.2306 -0.00151266 0.00230016 0.00342651 29
8643 187 H 22.0229 27.1495 11.2374 -0.00790494 -0.00386478 -0.000183067 29
8644 188 H 23.3001 25.502 9.75798 -0.00188898 0.0117929 -0.00103976 29
8645 189 H 21.8765 24.4532 9.8151 -0.0063227 -0.00336196 -0.00340604 29
8646 190 H 20.506 26.0956 8.62123 0.00164309 -0.00484133 0.00368419 29
8647 191 H 21.9048 27.1315 8.45887 0.010131 0.00277646 0.0118949 29
8648 192 H 23.1587 25.3314 7.33266 0.00302793 0.00486708 -0.013117 29
8649 193 H 21.6246 24.3113 7.30869 0.00775035 -0.00106843 -0.000975122 29
8650 194 H 20.6051 26.0634 5.82053 -0.000510711 -0.0106592 0.0130914 29
8651 195 H 22.0059 27.1001 5.99562 0.000351107 -0.00287027 -0.000567224 29
8652 196 H 23.3753 25.1263 4.92653 0.00307305 0.0120169 0.00395869 29
8653 197 H 21.8497 24.4415 4.44604 -0.000594626 0.00326286 0.0103436 29
8654 198 H 21.341 26.6298 3.08332 -0.00287871 0.00661242 0.017485 29
8655 199 H 22.9758 27.1731 3.57152 6.8173e-05 -0.0058983 0.0156767 29
8656 200 H 23.0822 26.3039 1.35343 -0.00702942 -0.0147721 -0.0137454 29
8657 201 H 24.0054 25.2743 2.43443 0.00010197 -0.0132103 0.000141527 29
8658 202 H 22.4065 24.6949 1.87222 0.00439061 -0.00216927 0.00362292 29
8659 203 H 18.8399 31.1867 15.3365 0.0132487 -0.00581598 -0.00836765 29
8660 204 H 18.1312 32.7534 14.787 0.0071433 0.00979976 0.00431002 29
8661 205 H 20.5423 31.5643 13.3645 -0.00321094 -0.00280925 0.00610356 29
8662 206 H 19.0244 30.6675 13.2439 0.00428961 0.00129436 -0.00182931 29
8663 207 H 18.0416 33.0739 12.5226 -0.000967492 -0.00716342 -0.00551999 29
8664 208 H 19.742 33.3443 12.0809 -0.00237729 0.00518632 0.00551582 29
8665 209 H 19.5675 31.1673 10.7201 0.00175686 -0.00165843 -0.00295664 29
8666 210 H 17.8178 31.2794 10.9733 0.000561711 0.00175151 0.00212288 29
8667 211 H 17.9307 33.5713 9.86351 0.00227808 0.00538455 -0.0123494 29
8668 212 H 19.6451 33.3918 9.64088 0.000766338 0.00107863 -0.00256603 29
8669 213 H 19.1457 31.2504 8.13954 -0.0149553 -0.0097408 0.000107397 29
8670 214 H 17.5078 31.7379 8.1833 0.0027039 -0.00654048 -0.00898727 29
8671 215 H 17.7217 33.8035 7.23058 -0.00938132 -0.0185687 -0.000220961 29
8672 216 H 19.4199 33.9875 7.54715 -0.00541763 -0.00281308 0.00337542 29
8673 217 H 19.3177 33.5996 5.23335 0.00175971 -0.0088502 8.32844e-05 29
8674 218 H 19.9283 32.1496 5.93995 0.00451026 0.00706912 -0.0018744 29
8675 219 H 17.7396 31.0391 5.37252 -0.0157724 0.00467281 -0.000144199 29
8676 220 H 16.9388 32.6123 5.28957 -0.00291204 -0.00657533 -0.00314147 29
8677 221 H 18.2163 33.2527 3.28485 -0.0037655 -0.000602093 -0.00758484 29
8678 222 H 19.2526 31.9296 3.41026 -0.000115882 0.000960129 0.0145693 29
8679 223 H 17.9588 31.2795 1.62026 0.0038772 -0.0162685 0.000735451 29
8680 224 H 17.0895 30.4013 2.88911 -0.0184051 0.00975412 0.00762058 29
8681 225 H 15.4068 32.2465 2.98605 -0.00313233 -0.0111672 -0.00247522 29
8682 226 H 16.3778 33.1562 1.78676 -0.00902095 -0.0038844 -0.0145603 29
8683 227 H 15.5705 31.6074 1.32253 -0.00959346 0.0264263 -0.012407 29
8684 228 H 10.5751 31.2253 33.1242 0.00836133 0.00149723 -0.00548287 29
8685 229 H 10.6133 29.4992 33.1957 0.0175053 -0.0120978 -0.00452296 29
8686 230 H 11.0873 29.4036 35.5347 0.0159293 0.000728358 0.000711674 29
8687 231 H 11.73 31.0854 35.5618 -0.00531979 0.0112852 -0.0119313 29
8688 232 H 9.20436 31.6942 34.9259 -0.00296608 0.00242239 0.00720109 29
8689 233 H 8.95693 30.0414 35.5196 -0.000925552 -0.00250561 0.00234466 29
8690 234 H 10.4673 32.221 37.0114 -0.00122492 -0.000223495 0.00824137 29
8691 235 H 8.68115 32.0804 37.2128 -0.00515487 -0.00579479 -0.0186292 29
8692 236 H 8.91576 29.9062 38.285 0.00170987 -0.00678165 0.000204068 29
8693 237 H 10.6063 29.7688 37.9298 0.00486752 0.00194361 0.0105847 29
8694 238 H 11.0911 31.8374 39.3584 0.00857391 -0.00962161 0.00705377 29
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8699 243 H 9.64334 32.1071 42.037 0.00767998 0.0115903 -0.00587781 29
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8711 255 H 16.0628 34.5707 35.9497 0.000493323 -0.0039731 -0.00149971 29
8712 256 H 17.3916 33.4878 36.2337 0.00180123 -0.00199562 -0.00156606 29
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8722 266 H 18.8911 34.7959 40.9299 -0.00302608 -0.00805299 0.0198934 29
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8725 269 H 16.9675 33.9818 43.2496 -0.0127108 0.0183977 0.00595925 29
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8727 271 H 18.8561 35.7975 44.9115 0.00448541 -0.00344271 0.000212196 29
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8737 281 H 17.3681 27.9651 36.301 0.00294461 0.00280292 -0.00891727 29
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8741 285 H 16.743 25.2524 38.6266 -0.00288111 0.0146312 0.0156078 29
8742 286 H 16.781 27.7299 38.595 0.00293237 0.00749935 0.00842892 29
8743 287 H 18.5397 27.6694 38.7589 0.00342315 -0.0108812 0.00462535 29
8744 288 H 16.4664 26.6216 40.7797 0.00194876 -0.0031443 0.0125177 29
8745 289 H 17.4559 28.0676 40.8796 0.00921485 0.00508937 -0.00181351 29
8746 290 H 19.5112 26.3966 40.7253 -0.000577382 0.00573762 -0.00902401 29
8747 291 H 18.2958 25.1721 41.0688 0.00786429 0.00136916 0.00193226 29
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8760 2 C 21.2389 40.6918 30.0977 0.000613716 0.00334774 -0.00339222 30
8761 3 C 20.8233 39.5357 29.4657 -0.00401572 0.00274479 0.000890574 30
8762 4 C 20.279 38.4587 30.2069 -0.000497946 0.00199449 0.00110772 30
8763 5 C 20.1115 38.5434 31.5962 -0.000306758 -0.00379604 -0.000534664 30
8764 6 C 20.6468 39.6502 32.2917 -0.000513181 -0.00415624 -0.00290325 30
8765 7 C 15.6749 37.3364 30.8478 0.00385601 0.00250036 0.00266421 30
8766 8 C 15.9535 37.1442 29.475 0.00181271 0.000543466 -0.00455661 30
8767 9 C 17.2617 37.0629 29.009 -0.000641504 0.00482653 -0.0027285 30
8768 10 C 18.3237 37.1563 29.9215 -0.000638744 -0.00153681 -0.000441624 30
8769 11 C 18.0778 37.2414 31.3081 0.00240843 0.00074532 -0.000668007 30
8770 12 C 16.7331 37.3415 31.7734 0.00448822 -0.00431917 0.00160763 30
8771 13 C 21.3971 33.9471 31.9091 0.00258005 -0.00548605 -0.000130996 30
8772 14 C 21.467 33.8735 30.4999 -0.000999572 -0.00116147 -0.003286 30
8773 15 C 20.928 34.8601 29.7251 0.00227451 -0.00173958 0.00192764 30
8774 16 C 20.409 36.0233 30.3572 -0.00639634 -0.00142179 -0.00607659 30
8775 17 C 19.8029 37.1669 29.5554 0.000478576 -0.00493993 -0.00397996 30
8776 18 O 20.6273 34.8814 33.9621 -0.00501628 -0.00107432 0.00218316 30
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8778 20 O 20.568 39.7619 33.6609 -0.00506719 0.000425339 0.0011562 30
8779 21 C 20.7415 35.0065 32.5587 0.000695603 0.00327848 -6.57879e-05 30
8780 22 C 20.2253 37.1041 28.1427 0.000483523 0.00310755 -0.00240634 30
8781 23 C 20.7794 37.0776 27.0402 -0.0038578 0.00513207 0.00210164 30
8782 24 C 21.5708 37.1357 25.832 0.00100191 -0.00447179 -0.00484723 30
8783 25 C 21.1804 38.0687 24.8187 -0.000552313 -0.00538338 0.0019548 30
8784 26 C 21.9855 38.195 23.6902 0.00100761 0.00137922 0.000981491 30
8785 27 C 23.2105 37.5048 23.6325 0.000901582 -0.00305357 -0.00178342 30
8786 28 C 23.5758 36.6132 24.6597 -0.00709043 0.00249271 0.00328588 30
8787 29 C 22.7484 36.4096 25.7693 0.0013271 -0.00209668 -0.000322839 30
8788 30 C 23.974 37.5616 22.399 3.0704e-05 -0.000644754 0.000652828 30
8789 31 C 24.4799 37.6023 21.2932 0.00407241 0.000967354 -0.00383647 30
8790 32 C 22.825 34.3311 18.9063 -0.00467003 -0.00215965 0.0028596 30
8791 33 C 23.0404 34.3634 17.5127 -0.0032044 -0.00152412 -0.00451441 30
8792 34 C 23.7484 35.4224 16.9121 -0.000360485 0.00241294 0.00134375 30
8793 35 C 24.2332 36.4246 17.724 -0.00268057 -0.000773889 -0.00372419 30
8794 36 C 24.0923 36.4097 19.1349 0.00493991 -0.00325813 0.000268155 30
8795 37 C 23.3503 35.3546 19.7193 0.00188636 -0.0018405 -0.00154819 30
8796 38 C 24.7412 37.5987 19.846 0.000115788 0.00228986 -0.00448397 30
8797 39 C 28.6165 37.5201 19.5571 -0.00137351 0.00246271 -0.000500644 30
8798 40 C 28.7315 37.5382 18.1484 0.00240382 0.00352992 0.00100311 30
8799 41 C 27.5914 37.5664 17.3786 -0.00197549 0.00187215 0.00517095 30
8800 42 C 26.3314 37.5588 17.9731 -0.000506311 -0.00052072 0.00194933 30
8801 43 C 26.1911 37.5174 19.3888 0.00277485 0.00141338 0.00387083 30
8802 44 C 27.3582 37.4576 20.171 0.00373184 0.00173628 0.000561998 30
8803 45 C 23.116 41.0205 18.922 0.00184343 0.000371833 -0.00201756 30
8804 46 C 23.2558 40.9894 17.5346 0.0022921 -0.00266129 -0.00288605 30
8805 47 C 23.8823 39.9217 16.9399 -0.000363761 -0.00322376 -0.00228941 30
8806 48 C 24.3565 38.848 17.7517 0.000905351 0.00259229 0.000582071 30
8807 49 C 25.0187 37.6112 17.1912 -0.00316376 -0.00312903 0.00152639 30
8808 50 C 24.2265 38.859 19.1598 -0.00159814 0.000554427 -0.00110771 30
8809 51 C 23.6238 39.9768 19.7275 -0.00243442 0.0037208 -0.000355283 30
8810 52 O 27.659 37.603 16.0241 0.00011694 -0.000313177 0.00114789 30
8811 53 O 23.9354 35.4905 15.5169 -0.00234219 -0.00332469 0.00408331 30
8812 54 O 24.015 39.8937 15.5704 0.00324902 -0.00176777 0.00196139 30
8813 55 C 19.3871 37.2782 32.1975 0.00189645 -0.00224292 0.00234799 30
8814 56 C 20.2108 36.0742 31.7617 -0.00260307 -0.000675701 0.000722902 30
8815 57 C 28.1626 36.466 15.3325 0.000170826 0.000519663 8.421e-05 30
8816 58 C 27.1421 36.1478 14.2008 0.00193061 0.00320862 -0.00405603 30
8817 59 C 27.293 37.0852 12.9958 -0.00127013 0.00101498 -0.00321113 30
8818 60 C 26.4524 36.6843 11.7542 0.00017284 -0.00465496 -0.00578538 30
8819 61 C 26.5541 37.6694 10.5847 0.00316835 0.00364573 -0.00215121 30
8820 62 C 26.4901 36.9701 9.21662 -0.00160758 0.000352958 -0.00451222 30
8821 63 C 26.3001 37.9319 8.03411 -0.0048413 -0.00351018 -0.00148804 30
8822 64 C 26.414 37.127 6.73883 0.00345004 0.00390811 -8.59381e-05 30
8823 65 C 26.1061 37.8648 5.41364 0.00130583 -3.03398e-05 -0.000281335 30
8824 66 C 25.9119 36.8711 4.25774 0.000723213 0.00458364 -0.00043348 30
8825 67 C 25.6245 37.6085 2.9095 0.0010379 0.000582242 0.00117723 30
8826 68 C 25.1127 36.6187 1.82506 0.00389825 0.0015492 -0.0049885 30
8827 69 F 21.5786 39.0084 22.6884 -0.000178009 -0.000285635 -0.000823625 30
8828 70 C 23.4842 34.4548 14.6375 0.000299314 -0.00534936 -0.00499005 30
8829 71 C 23.7253 34.9622 13.2026 0.003553 -0.00120805 -0.00527435 30
8830 72 C 22.8352 34.2697 12.1892 -0.000623857 -0.00115608 0.000409524 30
8831 73 C 23.212 34.5706 10.7299 0.0051687 -0.000235562 -0.00139201 30
8832 74 C 22.2032 34.01 9.76981 -0.00515137 -0.00288412 0.00264176 30
8833 75 C 22.6135 33.9081 8.26649 -0.000147017 -0.00266541 -0.00165359 30
8834 76 C 22.8245 35.2506 7.59432 0.00175567 -0.000475482 0.00131258 30
8835 77 C 23.0403 35.1383 6.07617 0.000359829 -0.00494028 0.00105916 30
8836 78 C 21.8471 34.6381 5.20759 -0.00105378 0.00328628 -0.00306356 30
8837 79 C 22.0687 35.0754 3.75745 -0.000186223 0.00286808 0.00231675 30
8838 80 C 21.1665 34.3942 2.82092 -0.00160476 -0.00224021 -0.000838393 30
8839 81 C 21.4764 34.8549 1.38342 0.000569595 -0.0017808 -0.000870919 30
8840 82 C 25.2405 40.2062 14.836 -0.00503798 -0.00118202 0.00030808 30
8841 83 C 24.9441 40.2433 13.3034 -0.0038683 0.00452742 -0.00113929 30
8842 84 C 25.9981 40.8966 12.4029 0.00185033 -0.00323876 -0.00200956 30
8843 85 C 25.3405 41.2228 11.0421 0.0013125 -0.00163571 -0.00575135 30
8844 86 C 26.2762 41.5095 9.85445 -0.00147253 0.00193421 -0.00348465 30
8845 87 C 25.5808 42.372 8.80863 0.00444284 0.00115741 0.00075364 30
8846 88 C 26.3523 42.5021 7.45178 0.00315909 -0.000648094 0.00200118 30
8847 89 C 26.2169 41.2107 6.56111 -0.00477794 0.00186875 -0.000311626 30
8848 90 C 25.7802 41.4673 5.08033 0.000100677 0.00216941 0.000726533 30
8849 91 C 26.8964 42.0241 4.20336 -0.00114769 -0.00413433 -0.00239866 30
8850 92 C 26.61 42.3532 2.72135 0.000449196 -0.00169402 -0.00166764 30
8851 93 C 26.112 41.0985 1.87763 -0.00325814 -0.0062258 -0.00276171 30
8852 94 C 15.1805 37.1614 33.6807 0.000549661 -0.00279093 0.00179593 30
8853 95 C 15.0941 37.3361 35.1917 -0.000512482 -0.000509426 0.00536294 30
8854 96 C 13.774 36.7908 35.7839 -0.00296203 -0.00201043 -0.00128087 30
8855 97 C 13.7829 36.5388 37.3138 -0.00024559 0.00219229 0.00349257 30
8856 98 C 13.8842 37.7272 38.2405 -0.00138866 0.000653517 0.000373331 30
8857 99 C 14.0801 37.1864 39.6563 0.000505062 -0.00016379 -0.00197312 30
8858 100 C 13.8299 38.214 40.7907 -0.00182296 -0.000836395 -0.00321168 30
8859 101 C 13.8997 37.635 42.2221 0.00190327 -0.000755521 -0.000832838 30
8860 102 C 13.7606 38.7304 43.3187 0.00357069 -0.00165747 -0.000940877 30
8861 103 C 14.0552 38.0854 44.686 0.00297027 0.00281077 0.00161682 30
8862 104 C 14.0932 39.0831 45.8447 0.000227912 -0.00325815 0.00118525 30
8863 105 C 14.5417 38.4273 47.1791 -0.00187289 -0.00213196 -0.00485116 30
8864 106 C 21.2788 40.8899 34.2707 0.00237423 -0.00193602 -0.000665546 30
8865 107 C 21.1402 41.0077 35.8024 0.000321819 -0.000174211 -0.000281874 30
8866 108 C 22.0165 42.1071 36.3889 -0.0013902 -0.00143796 0.00151928 30
8867 109 C 21.6482 42.6316 37.826 0.00761111 0.00247115 -0.000986703 30
8868 110 C 21.8049 41.5981 38.9866 0.00416326 0.00190931 -0.00505839 30
8869 111 C 21.7482 42.3556 40.3634 -0.002932 -8.31613e-05 0.00180987 30
8870 112 C 21.7506 41.4444 41.5586 -0.000935019 -0.000829155 0.00325931 30
8871 113 C 21.9484 42.1916 42.8973 9.04043e-05 -0.00511577 0.00315036 30
8872 114 C 21.8283 41.2245 44.1297 0.0013313 0.00483957 -0.00130736 30
8873 115 C 21.8476 42.0501 45.4695 -0.00380393 0.00217876 -0.000250088 30
8874 116 C 21.6155 41.2687 46.7828 9.99165e-06 0.00118257 -0.00262788 30
8875 117 C 21.9527 42.1355 47.9926 -0.000188065 -0.00221019 0.000474771 30
8876 118 C 20.5611 33.5879 34.7456 0.00117865 -0.00209223 0.000958647 30
8877 119 C 21.5975 33.622 35.9072 0.00161287 0.00135847 0.0012522 30
8878 120 C 21.1013 33.0173 37.2499 0.00133337 -0.00199615 0.00154897 30
8879 121 C 21.9912 33.4494 38.4467 -0.00301345 0.00033133 0.00355102 30
8880 122 C 22.0855 32.4285 39.5764 -0.000788935 -0.000508027 0.00353714 30
8881 123 C 22.8374 32.9421 40.7861 0.00172118 0.000272197 0.00158714 30
8882 124 C 22.0113 33.8626 41.7559 0.000428408 -0.000232551 -0.000149913 30
8883 125 C 21.4389 33.1832 43.0318 -0.00230515 0.000143069 -0.0030569 30
8884 126 C 22.5346 32.6209 43.9713 0.00310829 -0.0058544 0.00163834 30
8885 127 C 21.9762 31.9832 45.2499 0.00121427 0.000441254 -0.000187462 30
8886 128 C 22.0499 32.9821 46.4047 0.00104327 -0.00409876 0.00632683 30
8887 129 C 21.4701 32.3484 47.7043 -0.00226766 -0.00438616 -0.00329053 30
8888 130 F 19.9887 38.6689 24.9028 0.00291395 0.000369569 -0.000422499 30
8889 131 H 21.5359 41.6564 31.9395 -0.00504537 0.00602958 0.0048323 30
8890 132 H 21.5836 41.5551 29.5362 -0.00291589 -0.00240074 -0.0143763 30
8891 133 H 20.9888 39.4702 28.3944 -0.0159603 -0.00329153 -0.00057577 30
8892 134 H 14.6424 37.4916 31.1466 0.00519982 -0.00687586 0.0121323 30
8893 135 H 15.1702 37.136 28.7228 -0.00466906 -0.00722715 0.0023007 30
8894 136 H 17.4086 36.9394 27.94 0.00322406 0.000860226 -0.00173525 30
8895 137 H 21.8537 33.1206 32.4456 0.00802972 -0.000965273 0.00218906 30
8896 138 H 21.9059 33.0045 30.0187 0.00892757 0.00440358 -0.00425892 30
8897 139 H 21.0281 34.7789 28.6468 -0.00835343 0.00644793 0.000321607 30
8898 140 H 24.4954 36.0552 24.5105 -0.00198104 0.00955436 0.00837747 30
8899 141 H 23.0439 35.6319 26.4673 -0.00388683 0.0097426 0.0149711 30
8900 142 H 22.3708 33.4624 19.3737 -0.00512238 -0.00208842 0.00255082 30
8901 143 H 22.6165 33.5531 16.9268 -0.0118529 -0.000150728 -0.000177587 30
8902 144 H 23.1463 35.302 20.7847 0.00912964 -0.00526103 -0.000338057 30
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8904 146 H 29.7022 37.6428 17.6727 0.000927344 -0.000567172 -0.00289783 30
8905 147 H 27.3304 37.4459 21.2566 0.00202305 0.000154971 0.000498647 30
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8907 149 H 22.714 41.735 16.9601 -0.00554511 -0.0111052 -0.00648555 30
8908 150 H 25.132 37.6511 16.1008 0.000253079 0.00705631 0.00224522 30
8909 151 H 23.481 40.0847 20.7986 0.00495959 0.00232946 0.000762878 30
8910 152 H 19.1309 37.2799 33.2642 -0.00411506 -0.0100728 0.000935088 30
8911 153 H 29.0972 36.7388 14.827 -0.0019675 -0.00948978 -0.00929914 30
8912 154 H 28.3181 35.5952 15.9813 0.00502715 0.00671776 0.00722762 30
8913 155 H 26.123 36.0978 14.6037 0.00472727 -0.00118011 0.00250894 30
8914 156 H 27.4191 35.1279 13.9065 0.00937733 0.00496312 -0.00317376 30
8915 157 H 28.3283 37.069 12.6335 0.000578099 0.000377236 0.00213222 30
8916 158 H 27.023 38.1061 13.2929 0.00726421 0.00631117 -0.013623 30
8917 159 H 25.3845 36.6602 12.0044 0.000646464 0.000581679 -0.00329132 30
8918 160 H 26.6247 35.6678 11.3796 -0.00096933 -0.0103196 0.00912389 30
8919 161 H 27.5304 38.1695 10.5994 0.0111727 -0.0121616 0.00364619 30
8920 162 H 25.8183 38.4827 10.6081 -0.00235209 -0.00164172 0.00671681 30
8921 163 H 25.6487 36.2663 9.20697 0.012415 -0.016631 0.0136763 30
8922 164 H 27.3938 36.3898 8.99327 0.00138757 0.00281168 0.00129316 30
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8925 167 H 25.7638 36.2494 6.84086 0.00803739 0.00204657 0.0133459 30
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8948 190 H 21.9448 35.8624 7.82967 -0.00196783 -0.00212643 -0.00835563 30
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8983 225 H 26.927 40.397 1.66084 4.75652e-05 0.00179665 -0.0163349 30
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9013 255 H 20.088 41.1983 36.0473 0.0024482 0.0143324 -0.00247287 30
9014 256 H 21.4201 40.07 36.2981 -0.0141008 -0.00349506 0.00159115 30
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9022 264 H 20.8641 43.0038 40.4025 0.00124733 0.00649843 -0.0128896 30
9023 265 H 20.8479 40.8241 41.4972 0.0136433 -0.0210727 -0.00739673 30
9024 266 H 22.5725 40.7369 41.3933 -0.00365451 -0.00554405 0.00995517 30
9025 267 H 22.9808 42.5614 42.9256 -0.00119747 -0.00107445 -0.00332103 30
9026 268 H 21.2086 43.0006 42.9378 0.0091722 0.00358993 -0.00510591 30
9027 269 H 20.9175 40.6315 43.9801 0.0064515 0.000575059 -0.0158784 30
9028 270 H 22.6257 40.4712 44.1258 -0.00423516 -0.00115268 0.0159419 30
9029 271 H 22.8217 42.5444 45.5706 0.00638001 -0.0175887 -0.00169566 30
9030 272 H 21.0921 42.8411 45.3858 -0.0103893 -0.00533577 -0.0120043 30
9031 273 H 20.5934 40.8881 46.9006 -0.0012603 0.00284794 -0.00836127 30
9032 274 H 22.2278 40.3585 46.7795 0.00124607 0.00195425 0.0175403 30
9033 275 H 22.9596 42.5709 47.985 -0.0026596 0.0035875 0.00361681 30
9034 276 H 21.2288 42.9594 48.0153 -0.000539439 -0.0030361 0.0190252 30
9035 277 H 21.7897 41.5525 48.9075 0.00607537 -0.0136657 -0.00570526 30
9036 278 H 19.5509 33.4266 35.1418 0.0081173 0.00935272 0.0232822 30
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9038 280 H 21.8583 34.6536 36.174 -0.00567057 0.0095129 -0.023238 30
9039 281 H 22.4821 33.0522 35.5969 0.00481218 0.00433025 0.00493865 30
9040 282 H 21.1197 31.926 37.1395 -0.0141061 -0.00220442 0.00105603 30
9041 283 H 20.06 33.3236 37.4088 -0.00473221 -0.0114779 -0.0197482 30
9042 284 H 21.6028 34.3978 38.8381 -0.0120694 -0.00142494 -0.00114242 30
9043 285 H 23.0005 33.5622 38.0317 -0.00711763 0.00158989 -0.006123 30
9044 286 H 22.5163 31.52 39.1379 -0.00105588 0.00321555 -0.00448918 30
9045 287 H 21.0474 32.2472 39.8814 -0.00207098 0.00368151 0.0017034 30
9046 288 H 23.7497 33.4582 40.4625 -0.000523138 0.00697414 0.00593182 30
9047 289 H 23.1107 32.0489 41.3613 -0.00205826 -0.00272881 -0.00127169 30
9048 290 H 21.1387 34.2388 41.2079 -0.00639332 -0.00296707 0.00881699 30
9049 291 H 22.6307 34.7141 42.0637 -0.00717419 -2.78317e-05 0.0145885 30
9050 292 H 20.8416 32.3179 42.7188 0.000413138 -0.00263396 -0.000595076 30
9051 293 H 20.8344 33.8935 43.6092 -0.00983366 -0.0112071 0.00301827 30
9052 294 H 23.1943 33.454 44.2435 -0.00867366 0.00424023 -0.000613404 30
9053 295 H 23.0955 31.8273 43.4623 0.0114589 0.000539113 0.000904585 30
9054 296 H 22.5537 31.0853 45.5022 0.00447017 0.000258476 -0.00830892 30
9055 297 H 20.9383 31.674 45.0749 0.0111129 -0.019296 -0.0239841 30
9056 298 H 21.6022 33.947 46.1361 -0.00495382 -0.00885232 -0.000718492 30
9057 299 H 23.0962 33.1831 46.6658 0.00496764 -0.0124352 -0.00304416 30
9058 300 H 22.1286 31.5064 47.951 -0.000921416 -0.00220404 0.000551841 30
9059 301 H 20.4563 31.991 47.4858 -0.00375362 0.00652528 -0.0143973 30
9060 302 H 21.5353 33.094 48.5063 0.00270897 0.000828245 -0.00851329 30
9061 1 C 25.5004 33.723 31.0852 -0.000862617 0.00154828 -0.0022041 31
9062 2 C 25.6783 33.616 29.6898 -0.00271095 0.001163 -0.000177759 31
9063 3 C 25.018 32.6411 28.9768 0.00549009 -0.00153591 -0.00040724 31
9064 4 C 24.1877 31.7054 29.6299 0.00383757 -0.000674157 0.00380593 31
9065 5 C 24.0578 31.8081 31.0525 -0.000616447 -0.00358452 -0.00226251 31
9066 6 C 24.6255 32.8708 31.7768 -0.000516098 0.00472071 -0.000237797 31
9067 7 C 19.5292 30.4293 30.6594 -0.00225992 -0.00125781 0.00113381 31
9068 8 C 19.6548 30.3392 29.2606 -0.00144205 0.00144636 -0.00017461 31
9069 9 C 20.9341 30.3968 28.678 0.00286378 0.00109942 -0.000442395 31
9070 10 C 22.059 30.4636 29.5021 0.00170425 -0.00206911 -0.000670243 31
9071 11 C 21.9317 30.5545 30.9052 0.00198153 0.00242168 0.00346558 31
9072 12 C 20.6533 30.5766 31.5191 -0.000759584 0.00300771 -0.00221451 31
9073 13 C 25.3346 27.3298 31.3914 0.00625419 -0.00025769 0.00255154 31
9074 14 C 25.546 27.2999 29.9901 -0.00796368 0.000952361 -0.00317402 31
9075 15 C 24.9362 28.3046 29.189 -0.000269272 -0.00363584 0.00081166 31
9076 16 C 24.1862 29.3267 29.7533 -0.0053694 -0.00323118 -0.00266439 31
9077 17 C 23.5158 30.4681 29.0219 -0.00023396 0.00104019 0.00130902 31
9078 18 O 24.4474 28.3457 33.3207 -0.00425577 -0.00224223 0.00391075 31
9079 19 O 20.4231 30.5651 32.9187 -0.00244371 0.000543263 0.0040841 31
9080 20 O 24.3638 33.0606 33.1428 0.000583639 0.00173114 0.00115024 31
9081 21 C 24.6106 28.3771 31.9763 -0.00277974 0.00295561 -0.00289603 31
9082 22 C 23.7364 30.388 27.5697 0.00275893 -0.00017275 -0.00029232 31
9083 23 C 24.2533 30.3886 26.4732 -0.00187858 0.00317544 -0.00232108 31
9084 24 C 25.0667 30.5003 25.2843 0.00474727 -0.00151021 -0.000606495 31
9085 25 C 25.0034 31.6274 24.4525 0.00289913 -0.00028493 -0.000756913 31
9086 26 C 25.909 31.7841 23.3697 -0.00281943 0.00357862 -0.00278198 31
9087 27 C 26.9507 30.8542 23.2321 -0.00403193 0.00270588 0.000568589 31
9088 28 C 27.0713 29.7826 24.0982 0.00236111 0.00134671 -0.00250646 31
9089 29 C 26.0828 29.5489 25.0495 0.000406014 0.00103996 -0.00156192 31
9090 30 C 27.7554 30.9152 22.0737 -0.00230363 -0.00188042 -0.00491888 31
9091 31 C 28.2974 30.9128 21.0049 0.00226959 -0.00187888 -0.00251989 31
9092 32 C 27.3724 27.1938 19.001 -0.00262308 0.00152463 -0.00230773 31
9093 33 C 27.8567 27.0454 17.6883 -0.000959165 -0.00220052 -0.00132172 31
9094 34 C 28.3769 28.129 16.9574 0.00104068 0.00140883 0.000660651 31
9095 35 C 28.5006 29.3992 17.5843 0.0048288 0.00219747 -0.00212375 31
9096 36 C 28.1303 29.5074 18.9475 0.000358968 0.00241883 -0.000765338 31
9097 37 C 27.5163 28.4392 19.6414 -0.00217629 0.00325305 -0.00133346 31
9098 38 C 28.6189 30.8493 19.5428 -0.00340043 -0.00201327 -0.000270291 31
9099 39 C 32.4879 30.7751 19.3897 -0.00120626 -0.00232368 0.00181618 31
9100 40 C 32.6351 30.9 17.9961 -0.0033284 0.00380174 0.00043117 31
9101 41 C 31.524 31.063 17.1507 0.000230865 -0.0016664 0.00190878 31
9102 42 C 30.2863 30.885 17.7078 -0.000495359 0.000760876 0.00218292 31
9103 43 C 30.1045 30.9354 19.1084 -0.00321131 -0.0036999 -0.00153385 31
9104 44 C 31.2216 30.8457 19.9622 0.000365018 0.00270298 -0.00286524 31
9105 45 C 26.6136 33.9756 18.4462 0.000459017 0.000572166 -0.000465873 31
9106 46 C 26.7155 33.8089 17.0481 0.00137869 0.00157647 0.00221717 31
9107 47 C 27.5083 32.7882 16.5107 -0.00276044 0.00120112 -0.000242032 31
9108 48 C 28.0845 31.846 17.3647 0.00273829 0.00100868 0.00431449 31
9109 49 C 28.9917 30.7002 16.9054 0.00136691 0.00188014 -0.0028439 31
9110 50 C 27.9308 31.9399 18.7514 0.000495813 0.000778264 -0.000574442 31
9111 51 C 27.2168 33.0354 19.2993 0.00205325 -0.00269639 0.00104868 31
9112 52 O 31.7194 31.3993 15.8404 0.00385309 0.00391947 -0.00115887 31
9113 53 O 28.8301 27.9026 15.6554 0.00314828 0.00462176 0.00333073 31
9114 54 O 27.5831 32.6612 15.1363 0.000761328 0.00154969 -0.00308725 31
9115 55 C 23.2512 30.6473 31.654 -0.00218015 0.00439423 0.00209276 31
9116 56 C 24.0165 29.3834 31.1821 -0.00449678 0.000639163 0.000259307 31
9117 57 C 31.4588 30.5706 14.6951 -0.0027201 0.000994302 0.00172337 31
9118 58 C 30.8129 31.4813 13.5956 0.000462154 -0.000314861 0.00308791 31
9119 59 C 30.6068 30.9322 12.1273 0.000666378 0.00497052 0.00132716 31
9120 60 C 29.9889 29.542 11.8816 0.00340082 0.00125913 0.000182714 31
9121 61 C 29.473 29.3591 10.4398 0.00126306 -0.000216594 0.00148456 31
9122 62 C 30.2939 29.9715 9.26706 0.00021915 0.00253468 0.00312282 31
9123 63 C 29.5484 29.7417 7.92431 0.000669053 -0.00023554 0.000879627 31
9124 64 C 30.3598 30.2331 6.6994 0.000233421 -0.000388691 -0.00391586 31
9125 65 C 29.5749 30.0202 5.40175 0.00300683 -0.00174986 0.00183344 31
9126 66 C 30.3823 30.2256 4.15276 -0.00136886 -0.00164179 -0.000502115 31
9127 67 C 29.6373 30.0311 2.82785 0.00214253 -0.00095099 0.00308246 31
9128 68 C 30.5129 30.3458 1.60124 -0.000829217 -0.00181451 -0.00441585 31
9129 69 F 25.7005 32.8217 22.5448 0.00172184 0.00270457 -0.00197585 31
9130 70 C 29.0299 26.5389 15.1511 0.00406539 0.000866251 -0.00272879 31
9131 71 C 29.4696 26.5127 13.6799 -0.00181956 0.000567264 0.00310965 31
9132 72 C 30.2276 25.225 13.3864 0.00286683 -0.00303573 0.0019646 31
9133 73 C 30.2895 24.781 11.9037 0.0032291 0.000918818 0.00232153 31
9134 74 C 30.1452 25.8308 10.7912 0.00251372 0.00200311 0.00220714 31
9135 75 C 30.2542 25.1168 9.41494 0.00173773 -0.00126665 0.000255605 31
9136 76 C 29.952 25.9648 8.18358 -0.00126225 0.0015217 0.000865379 31
9137 77 C 30.2295 25.1913 6.87904 0.00395385 -0.00034762 0.0056338 31
9138 78 C 30.0237 26.134 5.61153 -0.00150518 0.00550012 0.00341148 31
9139 79 C 30.4172 25.3373 4.35022 -0.0046942 0.000713033 -0.00238803 31
9140 80 C 30.3343 26.1452 3.08572 0.00278664 -0.000891133 -0.00102715 31
9141 81 C 30.8768 25.4425 1.81834 -0.00442039 -0.00273291 0.00145161 31
9142 82 C 26.6434 31.7548 14.5608 0.000161839 0.0047214 0.00172731 31
9143 83 C 26.9896 31.4059 13.1083 0.000957183 0.00248695 -0.0025038 31
9144 84 C 26.6181 32.4829 12.1079 0.00266861 -0.000645834 0.00453752 31
9145 85 C 26.9246 31.9558 10.7108 -0.000617987 0.00303345 0.00341607 31
9146 86 C 26.3843 32.9022 9.62614 0.00194392 -0.00267224 -0.00208288 31
9147 87 C 26.8238 32.4897 8.22768 -0.000210395 0.000824304 0.00155458 31
9148 88 C 26.551 33.5995 7.18409 -0.00320585 0.000453863 0.00144352 31
9149 89 C 26.7296 33.1466 5.72153 -0.000762426 -0.0010137 0.000968454 31
9150 90 C 25.8497 32.0253 5.17316 0.000587662 -0.000474173 0.00347546 31
9151 91 C 25.8622 31.8679 3.66366 -0.00249596 0.00252708 0.000938071 31
9152 92 C 25.0223 32.9412 2.95568 -0.000451219 -0.00170918 0.00392112 31
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9154 94 C 19.1048 30.8299 33.4592 -0.00109825 -0.000100762 0.00313821 31
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9157 97 C 17.6793 30.3844 37.2326 -0.00275349 -0.00292985 -0.00347392 31
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9159 99 C 17.8291 30.6682 39.7087 -0.000898302 0.000893436 0.00338432 31
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9161 101 C 17.7546 30.4853 42.1899 -0.00146388 -0.00189929 -7.50949e-05 31
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9173 113 C 26.4207 34.6373 41.7319 -0.00268916 -0.000892742 3.87421e-06 31
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9180 120 C 24.7315 26.7951 36.4307 -0.00161132 -0.00427284 0.00315823 31
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9182 122 C 24.9981 26.402 38.9387 0.00687538 -0.00427234 -0.000168731 31
9183 123 C 25.8467 25.8987 40.1353 -0.00524267 0.00294825 0.00346597 31
9184 124 C 25.2378 26.1614 41.5125 0.000818047 -0.0037689 0.000814597 31
9185 125 C 26.1903 25.8153 42.7046 -0.00436716 0.00423297 0.00140106 31
9186 126 C 25.5609 26.1567 44.0525 -0.00277278 -0.000503601 -0.000919171 31
9187 127 C 26.4159 25.7298 45.2524 -6.76321e-05 -0.00401849 -0.00342752 31
9188 128 C 25.8214 26.0196 46.6384 9.93372e-05 0.000585326 0.000319901 31
9189 129 C 26.0307 27.4961 47.1016 -0.00203618 0.000204684 -0.000985171 31
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9211 151 H 27.009 33.1459 20.3595 0.00526368 0.00760348 0.000601269 31
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9219 159 H 29.1675 29.3645 12.5866 0.00913399 -0.0085785 0.00437044 31
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9224 164 H 30.4575 31.044 9.42926 0.00190451 0.00325208 -0.00334845 31
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9228 168 H 30.4963 31.3137 6.82935 -0.00509496 0.00038508 -0.0047222 31
9229 169 H 28.7041 30.6872 5.41853 0.0098529 0.00718696 0.00199216 31
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9232 172 H 30.8314 31.2262 4.13259 -0.0147119 0.00446298 0.00599956 31
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9243 183 H 29.8233 24.4311 14.0265 0.000401973 0.00211516 0.00681423 31
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9245 185 H 29.4851 24.0664 11.6902 -0.00293814 0.00715503 0.00466141 31
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9247 187 H 30.945 26.5738 10.9 0.000384769 0.00562246 -0.00699209 31
9248 188 H 31.266 24.7108 9.29329 0.00734551 0.0101749 0.00874977 31
9249 189 H 29.5471 24.2824 9.32925 0.0108957 -0.0105797 0.0158831 31
9250 190 H 28.9044 26.2817 8.25831 -0.00636709 -0.01367 -0.00643187 31
9251 191 H 30.5836 26.8609 8.2231 -0.00110998 0.00162629 -0.00396092 31
9252 192 H 31.2512 24.7936 6.84161 0.00122587 -0.00605061 -0.00890599 31
9253 193 H 29.5146 24.3647 6.78411 -0.00151105 0.00504212 -0.000350388 31
9254 194 H 28.9903 26.4952 5.54168 0.00159954 0.0126152 -0.0058781 31
9255 195 H 30.6104 27.0595 5.66364 0.00123201 0.00438325 -0.00748375 31
9256 196 H 31.4423 24.9828 4.51404 -4.96869e-05 0.0148886 -0.000750891 31
9257 197 H 29.7522 24.4706 4.24999 0.00537176 -0.00596358 -0.011404 31
9258 198 H 29.3281 26.5209 2.86232 -0.00197233 -0.0079631 0.00862137 31
9259 199 H 30.9921 27.0041 3.26701 -0.00316599 0.00304975 0.00184774 31
9260 200 H 31.8657 25.0075 2.00868 -0.00625914 -0.0136248 -0.0138966 31
9261 201 H 30.2054 24.6275 1.52124 -0.00776354 0.00485851 -0.0118327 31
9262 202 H 30.9396 26.1263 0.962811 -0.00570112 -0.0018986 0.00202349 31
9263 203 H 26.5869 30.8518 15.1811 -0.00316248 -0.00165061 -0.00787577 31
9264 204 H 25.669 32.2541 14.6297 -0.000296511 0.00459806 -0.00397326 31
9265 205 H 28.042 31.117 12.9974 0.00344404 0.00365758 0.0182735 31
9266 206 H 26.458 30.4864 12.8339 -0.0149995 0.00881826 0.00724536 31
9267 207 H 25.5306 32.6191 12.1559 0.000895537 -0.0131072 0.000151811 31
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9270 210 H 26.4953 30.9632 10.5267 0.0177295 -0.00564718 0.00747701 31
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9275 215 H 25.5321 33.973 7.34463 -0.00332721 -0.00218846 0.0068491 31
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9278 218 H 27.7656 32.8146 5.58077 0.00165679 0.00470042 0.0053118 31
9279 219 H 26.2429 31.0999 5.61181 0.0148579 0.00320004 -0.00151316 31
9280 220 H 24.8218 32.2041 5.51187 0.00404983 0.0196236 0.00341516 31
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9284 224 H 25.4161 33.9529 3.11338 0.00964574 -0.00588905 0.00553018 31
9285 225 H 24.4261 33.4581 0.873115 0.00815335 0.0264277 0.0125171 31
9286 226 H 26.1434 32.9642 1.09454 0.00153077 -0.00475146 0.00458629 31
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9290 230 H 19.3859 29.6173 35.154 0.0147737 0.00558102 0.00667006 31
9291 231 H 19.754 31.3368 35.4883 -0.00838428 0.0141144 -0.00969768 31
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9293 233 H 16.9666 30.027 35.2179 -0.0137328 0.0127831 0.00273303 31
9294 234 H 16.6653 30.0166 37.4328 0.000400689 -0.0027121 0.0128374 31
9295 235 H 18.4031 29.5682 37.3474 0.00437438 0.00285769 -0.00711551 31
9296 236 H 18.9999 31.827 38.3281 0.00102208 7.76727e-06 -0.00236757 31
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9299 239 H 18.5569 29.8479 39.6812 -0.00641513 -0.00373558 -0.00450956 31
9300 240 H 19.0782 31.7761 41.0912 0.00287113 -0.00687521 -0.00573834 31
9301 241 H 17.3662 32.3112 41.015 0.00204593 0.00609045 -0.00775182 31
9302 242 H 16.7058 30.1788 42.0921 3.80849e-05 -0.00662747 -0.00129113 31
9303 243 H 18.351 29.5763 42.0439 -0.00901652 -0.00840925 0.00953081 31
9304 244 H 18.8395 31.6419 43.7268 -0.00524414 0.000973347 0.000243083 31
9305 245 H 17.1002 31.5902 43.9791 0.00271281 0.00175577 0.00254667 31
9306 246 H 17.263 29.1274 44.6398 0.00055189 0.000194074 -0.00605724 31
9307 247 H 18.9878 29.2159 44.3092 0.00376509 -0.00445027 0.00494085 31
9308 248 H 18.8458 29.4194 46.7281 -0.00740471 -0.0128321 -0.00959531 31
9309 249 H 19.0977 31.0776 46.1342 0.00653977 -0.00736878 0.00243283 31
9310 250 H 16.5255 31.4171 46.4172 0.00214272 0.00352 0.00085413 31
9311 251 H 16.487 29.8476 47.1499 -0.00241646 0.00142643 -0.00761575 31
9312 252 H 17.4383 31.1115 47.9165 0.00588045 0.000848123 -0.00952061 31
9313 253 H 24.2339 35.1254 32.8186 -0.00656736 -0.00178617 -0.00198402 31
9314 254 H 23.2654 34.5076 34.1088 0.00517977 0.00546029 0.00141848 31
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9316 256 H 25.7349 35.7743 34.405 -0.018253 0.00465043 -0.00785243 31
9317 257 H 23.9857 34.9482 36.1173 -0.00272875 -0.00726032 -0.00500514 31
9318 258 H 25.0125 33.4802 36.2523 -0.00200711 0.00152122 0.0142731 31
9319 259 H 26.9173 35.0821 36.9438 0.000329481 -0.00591906 0.00540577 31
9320 260 H 25.6295 36.3288 36.9247 -0.0187579 -0.00410553 -0.00173453 31
9321 261 H 24.371 35.1884 38.6618 0.00225428 0.0153713 0.00344954 31
9322 262 H 25.6457 33.9233 38.8105 -0.00245312 0.00561014 0.0165911 31
9323 263 H 27.312 35.6646 39.5184 -0.00200828 -0.00377577 -0.00653293 31
9324 264 H 26.1396 36.9053 39.1973 -0.00180198 -0.00362432 -0.00893099 31
9325 265 H 25.868 36.7285 41.4802 -0.00485651 0.00455511 -0.00493438 31
9326 266 H 24.6316 35.6424 41.0696 -0.00507743 7.4429e-05 0.0088176 31
9327 267 H 26.4002 33.7383 41.1036 -0.00879982 0.000161817 -0.00129604 31
9328 268 H 27.485 34.8254 41.9195 -0.00194154 -0.0113376 0.00638161 31
9329 269 H 24.7684 34.1062 42.8866 -0.0034802 0.00802569 -0.00265618 31
9330 270 H 26.2888 33.4795 43.521 -0.000244804 0.0037935 0.00476624 31
9331 271 H 26.8181 36.0997 43.8661 0.00319612 -0.00104317 0.00567519 31
9332 272 H 25.0714 36.2445 43.7442 0.00817495 0.000779527 -0.00149895 31
9333 273 H 24.7386 34.5376 45.5782 0.00600233 -0.0062963 0.00271584 31
9334 274 H 26.45 34.5042 45.8691 0.00183212 -0.00913629 -0.0133322 31
9335 275 H 25.2975 36.085 47.4257 -0.0017819 0.000330263 -0.000282788 31
9336 276 H 26.7384 36.6713 46.5814 7.89987e-05 0.0122098 -0.0025903 31
9337 277 H 25.0844 37.1629 46.0431 -0.00363502 0.000638868 0.012911 31
9338 278 H 23.2031 27.208 34.5355 0.00482278 0.00443262 0.00730706 31
9339 279 H 23.9549 26.33 33.2036 -0.00456705 -0.00177058 -0.00373305 31
9340 280 H 26.0399 27.3848 34.775 0.0057507 -0.00638688 0.00239842 31
9341 281 H 25.6066 25.691 34.6541 0.00196188 -0.00240425 0.0115356 31
9342 282 H 23.7707 26.2818 36.5598 0.000700672 -0.0117671 -0.00953459 31
9343 283 H 24.5065 27.8522 36.6186 -0.00989542 -0.00463008 -0.00468282 31
9344 284 H 26.6308 26.8112 37.5083 -0.00164658 0.0120245 -0.0133775 31
9345 285 H 25.9367 25.2265 37.4233 -0.00330314 0.0024125 0.0168848 31
9346 286 H 24.0807 25.8008 38.9582 0.00166202 0.00399869 0.00924769 31
9347 287 H 24.7715 27.4472 39.1827 0.00378879 -0.0087045 0.0161085 31
9348 288 H 26.822 26.3998 40.1015 -0.0057007 0.00358908 -0.000241345 31
9349 289 H 26.0389 24.8241 40.0272 -0.00763154 0.00259199 0.00276684 31
9350 290 H 24.3401 25.5381 41.6081 -0.000985543 -0.000755835 0.00351211 31
9351 291 H 24.9031 27.2047 41.5659 -0.00823759 -0.00614362 -0.00938209 31
9352 292 H 27.1082 26.3975 42.5568 -0.00318534 -0.00200608 -0.0160244 31
9353 293 H 26.5215 24.7722 42.6307 0.0116141 0.00924626 0.00191184 31
9354 294 H 24.589 25.659 44.1579 0.00678924 -0.0199564 -0.00479769 31
9355 295 H 25.3437 27.2292 44.1289 0.00554255 0.000715236 0.0055759 31
9356 296 H 27.4162 26.1788 45.216 -3.9009e-05 -0.00289093 0.0110087 31
9357 297 H 26.6121 24.6532 45.176 -0.0105025 -0.00501361 -0.0161329 31
9358 298 H 26.2937 25.3565 47.3736 0.00110102 -0.00777263 -0.00786734 31
9359 299 H 24.7352 25.8669 46.6235 1.73675e-05 0.000828191 0.00389039 31
9360 300 H 27.0793 27.7909 46.9714 -0.00300107 -0.00271155 -0.0153738 31
9361 301 H 25.8005 27.6426 48.1641 0.0140257 0.00500364 0.0018438 31
9362 302 H 25.4149 28.1789 46.5033 0.00497394 -0.000497235 -0.00901127 31
9363 1 C 29.2104 40.817 31.2995 -0.000135184 -0.000779727 0.00129894 32
9364 2 C 29.2607 40.8042 29.8812 0.00173778 0.000907569 0.0010159 32
9365 3 C 28.7362 39.7184 29.2372 0.000843528 0.000628627 0.00140113 32
9366 4 C 28.0835 38.6701 29.9322 -2.25178e-05 0.00430608 0.00185389 32
9367 5 C 28.0114 38.6785 31.3547 -0.00147607 -0.00295176 -0.00272693 32
9368 6 C 28.602 39.7679 32.0593 -0.00135996 -0.00020969 0.00091927 32
9369 7 C 23.5351 37.3749 30.8141 0.00050678 -0.000304189 0.00282762 32
9370 8 C 23.7211 37.3262 29.4247 0.00499838 -0.00259375 0.000495426 32
9371 9 C 24.985 37.3076 28.8473 -0.00169674 0.00386508 0.0015452 32
9372 10 C 26.0834 37.331 29.7129 -0.00161705 0.000243727 0.00166073 32
9373 11 C 25.9258 37.371 31.1327 -4.39709e-05 -0.0003425 -0.000442156 32
9374 12 C 24.6276 37.373 31.6725 -0.0018988 0.00525409 -0.00472677 32
9375 13 C 29.2581 34.041 31.3745 0.000481689 -3.32974e-05 7.94576e-06 32
9376 14 C 29.4516 34.1206 29.9953 0.00131051 -1.1652e-05 -0.00345 32
9377 15 C 28.9388 35.1904 29.2855 -0.00357026 0.000149452 -0.00415742 32
9378 16 C 28.2067 36.2014 29.9684 0.00239228 0.00122983 0.00195831 32
9379 17 C 27.52 37.4039 29.2695 -0.00084101 0.000843996 0.001758 32
9380 18 O 28.4378 34.9082 33.4908 -0.00379368 0.00290103 0.00204833 32
9381 19 O 24.4356 37.4315 33.0524 -0.00206785 0.00147082 -0.000222205 32
9382 20 O 28.5852 39.8505 33.4739 0.000762403 -0.000845964 0.00309117 32
9383 21 C 28.5663 35.0617 32.1047 0.00045805 -0.000464216 0.0013884 32
9384 22 C 27.7845 37.318 27.8525 0.00173142 -0.00536747 -0.00258329 32
9385 23 C 28.2081 37.2987 26.7143 0.00243792 -0.00567254 0.00299996 32
9386 24 C 28.9556 37.3003 25.5121 0.00386792 0.000311356 0.00139943 32
9387 25 C 29.2583 38.4824 24.8755 -0.000321657 0.0011014 -0.0028241 32
9388 26 C 30.1374 38.4678 23.7721 -0.00254426 0.00267023 0.00161458 32
9389 27 C 30.7064 37.2692 23.3303 0.000186537 0.00079964 0.0013263 32
9390 28 C 30.3472 36.0557 23.9713 -0.00239734 -0.000861372 0.0030943 32
9391 29 C 29.5018 36.0828 25.072 -0.00128548 0.00169599 0.00353603 32
9392 30 C 31.5193 37.2872 22.1228 -0.000309041 -0.0015653 0.000456716 32
9393 31 C 32.0343 37.3153 21.0154 0.00533405 0.00510823 0.00223165 32
9394 32 C 30.4187 34.3513 18.2638 0.00116679 -0.00136898 -0.00567461 32
9395 33 C 30.606 34.4877 16.8743 -0.00168301 0.00267506 -0.000293869 32
9396 34 C 31.3605 35.5986 16.4298 -0.00189573 -0.00233927 0.000549811 32
9397 35 C 31.9595 36.4423 17.3987 -0.00293683 0.00237145 -0.000659512 32
9398 36 C 31.738 36.2926 18.7743 -0.00109908 -0.000518818 0.00514085 32
9399 37 C 30.9527 35.2103 19.234 0.000477484 -0.00294537 0.00358233 32
9400 38 C 32.4029 37.3708 19.6103 -0.000939293 -0.003392 0.00186937 32
9401 39 C 36.3304 37.2449 19.6225 0.0037682 -0.00299032 -0.000859917 32
9402 40 C 36.5292 37.3798 18.2492 0.000757721 0.00182991 0.0030286 32
9403 41 C 35.4519 37.3811 17.3691 0.00278546 -0.000125614 -0.00221612 32
9404 42 C 34.1499 37.3877 17.8433 0.00240915 -0.00207881 -0.000493414 32
9405 43 C 33.9288 37.2886 19.2366 0.000653068 0.0020822 -0.0023351 32
9406 44 C 35.0065 37.1413 20.144 0.00315065 -0.00374956 -0.00473883 32
9407 45 C 31.0881 40.9971 18.9086 3.37461e-05 0.00661791 0.00708907 32
9408 46 C 31.1628 41.0248 17.4975 0.00104827 -0.00132222 -0.00196948 32
9409 47 C 31.6682 39.8751 16.8589 0.00242018 -0.00467029 0.000887598 32
9410 48 C 32.144 38.7728 17.5919 -0.00173808 0.0011631 0.00475466 32
9411 49 C 32.877 37.5827 17.009 -0.00370824 -0.00163457 0.00105767 32
9412 50 C 31.9521 38.7106 18.9617 -0.00147615 0.00417029 -0.00241182 32
9413 51 C 31.4217 39.84 19.6264 0.00462098 0.00335378 0.00196774 32
9414 52 O 35.6812 37.439 15.9982 0.00610822 0.00159596 0.000579911 32
9415 53 O 31.4205 35.9739 15.0879 -0.00115318 -0.000748957 -0.000708787 32
9416 54 O 31.6906 39.7456 15.4855 0.000654509 0.000402127 -0.000499126 32
9417 55 C 27.286 37.4418 31.9277 -0.00138377 -0.00141458 0.00504791 32
9418 56 C 28.0592 36.1909 31.3748 -0.00138143 -0.00201959 0.00136282 32
9419 57 C 35.5269 36.2045 15.3665 -0.00496597 0.00349146 -0.000877486 32
9420 58 C 36.216 36.1573 14.0033 -0.00341112 -0.00576036 0.00331103 32
9421 59 C 35.3385 36.6011 12.8148 -0.000537583 -0.00108806 0.00464441 32
9422 60 C 35.8423 36.2188 11.4222 -0.00249207 -0.0031297 0.00240455 32
9423 61 C 34.8763 36.6797 10.3098 -0.00325459 -0.003505 -0.00528152 32
9424 62 C 35.2152 36.2136 8.88629 0.00458561 -8.39627e-05 0.000556453 32
9425 63 C 34.2113 36.6715 7.83532 0.00339183 -3.31473e-05 0.000852714 32
9426 64 C 34.7282 36.5636 6.37318 -0.00224167 0.00569001 -0.00221089 32
9427 65 C 33.5554 36.5786 5.36147 0.000818162 -0.000873279 -0.00186041 32
9428 66 C 33.9359 37.1948 3.98964 -0.00250667 0.001204 -0.0003926 32
9429 67 C 34.1198 36.1691 2.85739 -0.00479762 -0.00148376 0.00335376 32
9430 68 C 33.9726 36.7918 1.46242 -0.000801181 0.00220221 0.00342598 32
9431 69 F 30.4529 39.589 23.1191 0.000275041 -0.000237014 0.000130102 32
9432 70 C 31.2624 35.0249 14.0056 -0.00213178 0.000959676 -0.00236985 32
9433 71 C 31.3304 35.9006 12.7627 0.0029244 -0.00605299 -0.000655247 32
9434 72 C 31.2887 35.1255 11.4517 0.00240367 -0.000139809 -0.00327748 32
9435 73 C 29.8685 34.949 10.8624 0.00332501 0.000553646 0.00591694 32
9436 74 C 29.9253 34.5442 9.35619 0.000654382 0.000415058 0.00416666 32
9437 75 C 30.3558 35.6835 8.41971 -0.00150337 -0.000388956 0.00173368 32
9438 76 C 30.7671 35.2935 6.98235 -0.000747001 -0.00216617 0.00238188 32
9439 77 C 29.7824 34.4066 6.2165 0.00384078 0.00149212 0.000752262 32
9440 78 C 30.3689 33.7661 4.95076 -0.00170894 -0.00137507 -0.00115807 32
9441 79 C 30.6588 34.7457 3.81136 -0.00274486 -0.00467751 0.00225712 32
9442 80 C 29.4567 35.2163 3.04075 -0.00259442 -0.000993723 0.00288252 32
9443 81 C 28.9199 34.107 2.13337 0.000302182 -0.000317129 0.00353778 32
9444 82 C 32.5995 40.4695 14.6939 0.00609552 -0.00050237 -0.00237121 32
9445 83 C 33.1407 39.4414 13.7015 -0.00425684 0.00150981 -0.000784001 32
9446 84 C 33.3893 39.9925 12.2737 0.00406551 -0.00117715 -0.000927868 32
9447 85 C 34.4301 41.1333 12.2084 0.00387361 -0.00011432 6.18996e-05 32
9448 86 C 34.4505 41.8327 10.8451 -0.0010546 -0.00247029 -0.00114812 32
9449 87 C 34.6872 40.9283 9.62263 0.0012502 -0.00178435 0.000824317 32
9450 88 C 34.5423 41.7099 8.34881 -0.0066922 0.000483191 0.000635743 32
9451 89 C 34.6303 40.7775 7.09831 -0.00182201 0.00281246 -0.00461871 32
9452 90 C 34.4001 41.5252 5.7872 -9.18551e-05 0.00139698 -0.00128056 32
9453 91 C 34.1442 40.6525 4.52873 -0.000498868 -0.000338494 -0.00280712 32
9454 92 C 34.005 41.4689 3.23952 -0.00279901 0.00288912 -0.00217483 32
9455 93 C 33.7776 40.6145 1.98933 0.00116605 0.00125256 -0.000686769 32
9456 94 C 23.0864 37.5272 33.687 -0.00012355 -0.000560458 0.0034932 32
9457 95 C 23.1551 37.6224 35.2309 -0.00210237 -0.00199482 0.00371322 32
9458 96 C 21.8813 37.2939 35.9836 0.000588593 0.00117258 -0.00174476 32
9459 97 C 22.1259 36.9839 37.4752 5.4819e-05 0.000679843 -0.00100294 32
9460 98 C 22.1814 38.2343 38.3974 0.000206529 -0.000795983 -0.00401334 32
9461 99 C 22.7229 38.0045 39.8318 0.00389696 0.00280664 -0.0053286 32
9462 100 C 21.7103 37.5601 40.8632 -0.000853171 -0.00155342 0.00342883 32
9463 101 C 22.374 37.58 42.2558 0.00072243 -0.00104572 -0.00320601 32
9464 102 C 21.4524 37.117 43.4199 0.00104195 -0.00109441 -7.88024e-05 32
9465 103 C 22.2701 37.0407 44.7188 -6.97272e-05 -0.00102906 0.00102956 32
9466 104 C 21.5441 36.9905 46.071 -0.000203632 -0.00441451 0.00307953 32
9467 105 C 22.3997 36.5192 47.2373 0.00316985 -0.00285251 0.00200532 32
9468 106 C 28.9835 41.1331 34.0349 0.00416417 0.00390613 -0.0026206 32
9469 107 C 28.822 41.2938 35.5681 0.00444199 0.000989311 -0.00211124 32
9470 108 C 29.3959 42.6264 36.0993 0.00318046 -0.00443164 0.00193606 32
9471 109 C 29.0832 42.9671 37.587 -0.0057783 -0.000440065 -0.00708249 32
9472 110 C 29.9217 42.097 38.5369 -0.00237648 0.00310264 0.0035882 32
9473 111 C 29.3496 41.9794 39.9506 -0.00251422 0.000112746 0.00478677 32
9474 112 C 29.4161 43.2667 40.7969 -0.000293791 0.000776805 -0.00159885 32
9475 113 C 29.1521 43.0803 42.3264 6.09581e-05 0.00031161 -0.00334929 32
9476 114 C 30.2911 42.3166 43.0672 0.0017161 -0.00452541 0.000665526 32
9477 115 C 30.2905 42.5206 44.6477 0.00422236 -0.00438054 -0.000913113 32
9478 116 C 29.0582 41.9085 45.3075 0.00152166 -0.00291943 -0.00275489 32
9479 117 C 29.1046 42.1603 46.8696 0.000523536 -3.03851e-05 0.00133919 32
9480 118 C 29.003 33.7503 34.1082 -0.0024459 -0.00189981 1.058e-05 32
9481 119 C 28.7982 33.6386 35.6194 -0.000412695 0.00227974 -0.00560274 32
9482 120 C 29.7217 32.6469 36.2498 0.00174835 0.000633099 -0.000120958 32
9483 121 C 29.3655 32.3786 37.7467 -0.00239235 -0.0053241 -0.00292473 32
9484 122 C 29.4177 33.6647 38.5589 0.00205618 0.00108227 -0.00147072 32
9485 123 C 29.1983 33.4453 40.0816 0.000162957 0.00361732 0.000944331 32
9486 124 C 30.4354 32.954 40.8199 0.00697334 0.0018719 -0.00457235 32
9487 125 C 30.4224 33.2996 42.3136 0.00462863 -0.000564522 0.00354751 32
9488 126 C 29.3453 32.6011 43.1235 0.00229168 1.15336e-05 0.00318582 32
9489 127 C 29.0663 33.3448 44.4409 -0.00225065 -0.00333182 -0.00402182 32
9490 128 C 30.3241 33.4 45.3153 0.00238994 -0.00107525 -0.000425346 32
9491 129 C 30.038 33.8983 46.7271 -0.00086938 0.0069658 -0.0019354 32
9492 130 F 28.7944 39.6699 25.3428 0.00311884 -0.00150196 0.00103768 32
9493 131 H 29.6123 41.7069 31.7748 -0.00925643 0.00952934 -0.0102503 32
9494 132 H 29.8107 41.5881 29.369 0.00609852 -0.00167362 0.00173209 32
9495 133 H 28.7872 39.7014 28.1525 -0.0127929 -0.00171276 0.000783574 32
9496 134 H 22.5204 37.3627 31.2008 -0.0042651 -0.0189296 -0.0102316 32
9497 135 H 22.8521 37.2964 28.774 0.00226155 0.00777807 0.00368426 32
9498 136 H 25.1012 37.3707 27.7694 0.0169204 -0.0144171 0.00250008 32
9499 137 H 29.6744 33.1427 31.8207 0.00811699 -0.00154021 -0.0101021 32
9500 138 H 29.9585 33.3053 29.4876 -0.00176313 -0.00879354 0.00753853 32
9501 139 H 29.0612 35.1901 28.2065 -0.00922349 0.000700569 -0.00480248 32
9502 140 H 30.6681 35.0879 23.5975 -0.0136611 0.000243816 -0.00946359 32
9503 141 H 29.2255 35.1349 25.5242 -0.00759915 -0.00144463 -0.00686563 32
9504 142 H 29.8098 33.5362 18.6437 0.0178237 -0.00750076 0.00788442 32
9505 143 H 30.0883 33.8301 16.1822 0.0111874 -0.00408318 -0.0034829 32
9506 144 H 30.7637 35.038 20.2895 0.00351246 -0.00530116 0.00374206 32
9507 145 H 37.1599 37.2433 20.3234 0.00675956 0.00439441 -0.00439442 32
9508 146 H 37.5144 37.6036 17.8509 0.00274826 -0.000697575 0.00655054 32
9509 147 H 34.8302 36.9977 21.2059 0.0130383 0.0105436 -0.00117638 32
9510 148 H 30.7071 41.8616 19.4442 -0.00959789 0.00546332 0.00209908 32
9511 149 H 30.8364 41.9098 16.9593 -0.00671339 -0.000592199 0.00392348 32
9512 150 H 33.0384 37.6467 15.9258 0.000572087 0.00208926 0.00192147 32
9513 151 H 31.239 39.7907 20.6957 0.00139505 -0.00225085 0.00116854 32
9514 152 H 27.1552 37.4773 33.0163 -0.0124 -0.0150331 0.00416965 32
9515 153 H 36.0273 35.4703 16.0099 0.0075608 0.0137801 0.00114518 32
9516 154 H 34.4556 35.9808 15.2922 -0.00557533 0.00942975 -0.0100003 32
9517 155 H 36.5167 35.113 13.8537 0.0129193 -0.00359533 0.0207864 32
9518 156 H 37.1234 36.7737 14.0067 -0.00433507 -0.00424955 -0.0161149 32
9519 157 H 35.2337 37.6929 12.8348 0.00694055 -0.000427873 0.0084182 32
9520 158 H 34.3553 36.1301 12.9366 -0.00239031 -0.00188047 -0.0133423 32
9521 159 H 35.8982 35.1242 11.3756 0.00789822 -0.00273192 0.00548096 32
9522 160 H 36.8708 36.5809 11.3014 -0.00724658 0.00942967 -0.000254234 32
9523 161 H 34.8287 37.7752 10.2797 -0.00162141 -0.0031936 0.00374917 32
9524 162 H 33.8745 36.3091 10.5598 -0.00255282 0.000810785 0.00392352 32
9525 163 H 35.2853 35.12 8.83535 0.0048841 0.000654929 -0.0150127 32
9526 164 H 36.1682 36.6602 8.5768 0.00779496 -0.00360907 0.00539148 32
9527 165 H 33.8733 37.6919 8.05418 -0.00345192 0.000918523 -0.0141593 32
9528 166 H 33.3028 36.0643 7.93195 -0.005377 0.0127914 -0.000889585 32
9529 167 H 35.3957 35.6983 6.27755 -0.00937212 0.0010341 -0.00964443 32
9530 168 H 35.318 37.4579 6.13714 0.005062 0.000422415 -0.00388771 32
9531 169 H 32.7633 37.2343 5.74369 0.000503597 -0.00172604 -0.00105519 32
9532 170 H 33.1891 35.5514 5.24271 0.00894104 -0.00442568 0.00370068 32
9533 171 H 34.867 37.7599 4.11999 -0.000374505 -0.00473904 0.0102997 32
9534 172 H 33.1783 37.9364 3.70771 -0.0100937 -0.0134173 -0.0183834 32
9535 173 H 33.4353 35.3193 2.97024 -0.00390215 -0.00232711 0.00243986 32
9536 174 H 35.1466 35.799 2.96704 -0.00381517 -0.00221333 -0.00839688 32
9537 175 H 34.7012 37.5976 1.30926 -0.00328145 0.00448577 0.00360926 32
9538 176 H 32.9869 37.2627 1.36158 -0.00515182 -0.00400269 0.017102 32
9539 177 H 34.0381 36.0677 0.640975 0.00635303 0.00404045 0.0023819 32
9540 178 H 32.1083 34.3272 14.038 -0.000712434 0.00300523 0.00488023 32
9541 179 H 30.3115 34.4892 14.1158 -0.00596316 0.00712794 -0.00549656 32
9542 180 H 30.5671 36.686 12.6995 0.016387 0.00760171 0.00666393 32
9543 181 H 32.2914 36.4294 12.7781 0.0050159 -0.00954841 -0.0105131 32
9544 182 H 31.8783 35.7347 10.7555 -0.0108652 0.000356117 -0.0140965 32
9545 183 H 31.7877 34.1537 11.5522 0.0112732 0.00515833 0.00391559 32
9546 184 H 29.4137 34.1293 11.4322 -0.0157931 -0.00178348 -0.0127505 32
9547 185 H 29.242 35.828 11.0577 -0.00637071 -0.00483075 -0.00101402 32
9548 186 H 30.6091 33.6903 9.27442 0.00754259 0.00602746 0.00317274 32
9549 187 H 28.9207 34.197 9.08515 0.000425299 -0.00580837 0.0129504 32
9550 188 H 29.5606 36.4389 8.44118 0.00831262 0.00984777 0.0054993 32
9551 189 H 31.2132 36.1511 8.91948 0.00601027 -0.00271659 -0.00904729 32
9552 190 H 30.8819 36.2382 6.43666 -0.00646762 -0.00574938 -0.00502396 32
9553 191 H 31.7367 34.781 7.00989 -0.00386759 -0.007891 0.00593817 32
9554 192 H 29.5584 33.5574 6.87385 0.0011212 -0.00113101 -0.00356664 32
9555 193 H 28.8488 34.9367 5.99144 0.00328628 -0.00117012 -0.00322661 32
9556 194 H 31.2991 33.2537 5.22586 -0.00277449 -0.00687534 -0.00778077 32
9557 195 H 29.7119 32.9559 4.61097 -0.00604211 -0.00338647 0.0120026 32
9558 196 H 31.1183 35.6682 4.18717 -0.00391488 -0.00111598 -0.00502478 32
9559 197 H 31.3983 34.2826 3.14639 -0.000649564 0.010561 -0.00601009 32
9560 198 H 28.6943 35.6281 3.71345 -0.00759508 -0.0024428 -0.00189874 32
9561 199 H 29.8337 36.054 2.4411 -0.0169236 0.000601195 -0.00386145 32
9562 200 H 28.0175 34.4846 1.63689 0.00557868 -0.000709146 -0.00632903 32
9563 201 H 29.6635 33.8063 1.38503 0.000293234 -0.00347142 0.00479795 32
9564 202 H 28.6016 33.2387 2.72353 0.00444187 -0.00112181 0.0045811 32
9565 203 H 32.108 41.2397 14.0867 0.0131052 0.00316611 -0.00339501 32
9566 204 H 33.3567 40.8862 15.3695 -0.000877654 -0.00308649 0.00708569 32
9567 205 H 34.1001 39.1128 14.1199 -3.84436e-05 0.0180774 0.00264694 32
9568 206 H 32.4448 38.599 13.6045 -0.00293268 0.000215625 0.000996209 32
9569 207 H 33.7064 39.169 11.6221 3.7878e-06 0.00422811 -0.00973184 32
9570 208 H 32.4319 40.3842 11.9086 -0.000642919 -0.00242927 0.0100432 32
9571 209 H 34.2285 41.9196 12.9463 0.00336852 0.000730497 -0.000973278 32
9572 210 H 35.4131 40.6828 12.393 0.00740693 0.00626286 -0.00323893 32
9573 211 H 33.502 42.3543 10.6669 -0.00114615 -0.00142002 0.00244569 32
9574 212 H 35.2467 42.5871 10.8643 0.000239882 -0.00369381 -0.00667047 32
9575 213 H 35.713 40.5443 9.68456 0.00468562 0.00709436 -0.000954199 32
9576 214 H 34.004 40.0704 9.59471 -0.000918183 -0.000108171 0.00241331 32
9577 215 H 33.5546 42.1844 8.29703 -0.00623099 0.000334521 -0.00992879 32
9578 216 H 35.2715 42.5282 8.3028 0.0145713 -0.0184791 0.000923247 32
9579 217 H 35.5923 40.2505 7.1159 0.00143684 0.00883038 -0.00185544 32
9580 218 H 33.7895 40.0884 7.24535 -0.00558578 0.00685588 -0.00710205 32
9581 219 H 33.4962 42.1327 5.9187 0.00569316 0.00819169 0.00702429 32
9582 220 H 35.2158 42.2207 5.55397 -0.000640629 0.00119071 -0.00384368 32
9583 221 H 35.0298 40.0156 4.41251 0.000762318 0.00174438 -0.00463144 32
9584 222 H 33.2769 39.998 4.67972 0.00303961 -0.00427942 0.000464608 32
9585 223 H 33.2098 42.2161 3.35262 -0.00489255 0.000791349 -0.00307394 32
9586 224 H 34.9248 42.0658 3.20629 0.00675663 -0.0119839 -0.00419662 32
9587 225 H 34.5062 39.808 1.84071 0.00894542 0.00917918 -0.00535645 32
9588 226 H 32.8353 40.0642 2.10223 -0.000667657 0.0019052 -0.0130221 32
9589 227 H 33.7832 41.3194 1.14884 0.00233628 -0.000764465 -0.00236382 32
9590 228 H 22.5814 38.4339 33.3318 -0.00514764 -0.0034865 0.00317641 32
9591 229 H 22.5216 36.6363 33.3859 0.00524888 -0.00334497 0.00162545 32
9592 230 H 24.0036 36.9988 35.5385 -0.00850799 -0.00688546 0.0114048 32
9593 231 H 23.4297 38.6477 35.5079 0.00679511 -0.000571629 -0.0103193 32
9594 232 H 21.1432 38.1044 35.9412 -0.00575887 -0.00399726 0.00941182 32
9595 233 H 21.3538 36.4371 35.5465 -0.00108087 0.000751438 0.0010803 32
9596 234 H 21.3685 36.2925 37.8644 -0.00302024 0.00724698 0.00468258 32
9597 235 H 23.0644 36.4209 37.5501 5.734e-05 0.000998398 0.00135147 32
9598 236 H 22.791 38.995 37.8942 -0.003096 0.00149733 -0.00455697 32
9599 237 H 21.1781 38.6748 38.4505 0.000749705 -0.000797936 0.00618949 32
9600 238 H 23.5804 37.323 39.7726 0.00171103 0.000955071 -0.0158608 32
9601 239 H 23.0902 38.9647 40.2146 -0.000384595 0.000848034 0.00371004 32
9602 240 H 20.7696 38.1223 40.9116 -0.00258715 -0.00339624 -0.00908019 32
9603 241 H 21.4654 36.5279 40.5842 -0.00907713 -0.00132782 0.0098687 32
9604 242 H 23.3349 37.0509 42.2691 -0.00284193 -0.00740288 0.00125753 32
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9611 249 H 20.696 36.3 45.9858 -0.0150311 0.0143749 -0.00157103 32
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9613 251 H 21.7239 36.2911 48.0708 -0.000563877 0.00101079 4.64161e-05 32
9614 252 H 23.0339 35.6611 46.9824 0.00559965 -0.000148743 -0.00107743 32
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9617 255 H 27.7578 41.2925 35.8343 0.00486259 0.00843742 -0.000406009 32
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9621 259 H 29.2498 44.0344 37.7782 0.00126323 -0.00193929 -0.00488106 32
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9625 263 H 28.3154 41.6256 39.8574 0.0037167 -0.0176355 0.00306562 32
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9630 268 H 28.2243 42.5088 42.4525 0.00518605 -0.00546702 0.00818117 32
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9633 271 H 31.1979 42.0512 45.0475 0.0115249 0.000817809 -0.0113632 32
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9636 274 H 29.01 40.8347 45.0883 0.0042582 -0.00479976 0.00585691 32
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9649 287 H 30.3254 34.2375 38.3324 0.000636527 0.00177336 -0.0054434 32
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9651 289 H 28.9837 34.4637 40.4283 -0.0128336 0.00123473 -0.000107282 32
9652 290 H 31.3175 33.4175 40.3613 0.0142305 0.000807505 0.00831763 32
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9666 2 C 33.3356 34.0512 29.6956 -0.00048638 -0.00470516 0.00569876 33
9667 3 C 32.8311 32.9739 29.0161 0.00300086 0.003234 -0.0036998 33
9668 4 C 32.1133 31.9679 29.6782 -0.00237725 -0.00121388 -0.00124011 33
9669 5 C 31.9402 32.0222 31.0764 -0.00264774 0.00629547 0.00207452 33
9670 6 C 32.4254 33.1902 31.7882 0.00010147 0.00692325 -0.00113406 33
9671 7 C 27.4633 30.662 30.3405 -0.00128091 -0.00171795 0.0010205 33
9672 8 C 27.7172 30.6329 28.9811 -0.0028084 -0.00106493 -0.00470858 33
9673 9 C 29.002 30.6127 28.4994 0.00353232 -0.00149187 -0.000580782 33
9674 10 C 30.0602 30.6533 29.4223 0.000751423 0.000311859 0.000319112 33
9675 11 C 29.8369 30.6439 30.8197 -0.000663388 -0.000863563 -0.00261426 33
9676 12 C 28.4874 30.6888 31.3034 -0.00146649 0.00159158 -0.00425793 33
9677 13 C 33.0355 27.3292 31.1665 0.00205287 0.000937188 0.000148855 33
9678 14 C 33.2729 27.3819 29.7936 -0.000744674 -0.000582331 0.000244706 33
9679 15 C 32.8215 28.4613 29.0707 0.00239121 -0.00472734 -0.0034427 33
9680 16 C 32.1787 29.5308 29.7617 0.00108395 0.00174339 -0.00256612 33
9681 17 C 31.5296 30.7041 28.9965 -0.00130817 -0.00161317 0.00415485 33
9682 18 O 32.1986 28.2526 33.2996 0.00261935 -0.000423094 0.00118154 33
9683 19 O 28.2 30.8133 32.6666 -0.000186124 0.000544586 -0.00154342 33
9684 20 O 32.2868 33.3775 33.1908 -0.000582145 -0.00119336 -0.000179647 33
9685 21 C 32.3952 28.3906 31.8865 0.00205002 0.000125247 -0.00237378 33
9686 22 C 31.8811 30.6718 27.572 -0.000971192 -0.00119096 -5.16944e-05 33
9687 23 C 32.3988 30.6883 26.4814 -0.000920095 0.00291397 0.000643809 33
9688 24 C 33.361 30.7116 25.4285 -0.00186938 -0.000426955 -0.00073162 33
9689 25 C 33.5737 31.926 24.7901 0.00234437 0.00386284 0.00154644 33
9690 26 C 34.4176 31.9851 23.6947 0.00239988 -0.00208524 0.00204082 33
9691 27 C 35.0509 30.8194 23.2737 0.000641296 -0.00434168 0.00157213 33
9692 28 C 34.8035 29.5626 23.8528 -0.000709161 0.00198466 -0.00294461 33
9693 29 C 33.9355 29.5277 24.95 0.00340581 0.00298722 -0.00378059 33
9694 30 C 35.7436 30.8218 21.9981 -0.00259913 0.000764212 -0.00500312 33
9695 31 C 36.2099 30.8127 20.8917 -0.00415999 0.00115344 -0.000796439 33
9696 32 C 34.9393 27.2693 18.7818 0.00115197 -0.00424222 0.0020379 33
9697 33 C 35.1934 27.177 17.3799 -0.000196754 -0.000885663 -0.000451176 33
9698 34 C 35.7643 28.2407 16.6984 0.00157944 -0.000290854 -0.00268383 33
9699 35 C 36.1039 29.4197 17.3824 0.00114135 0.00411778 0.001532 33
9700 36 C 35.9376 29.4944 18.783 0.00171032 0.000914792 0.00068692 33
9701 37 C 35.3567 28.3987 19.4662 -0.00210098 -0.000822073 0.00294878 33
9702 38 C 36.4803 30.8057 19.4352 -0.00082264 0.00554887 -0.000687477 33
9703 39 C 40.3645 30.648 19.1527 -0.00441463 -0.00316219 -0.00646651 33
9704 40 C 40.452 30.6491 17.7506 -0.00296328 0.000799136 -0.00393992 33
9705 41 C 39.3198 30.7262 16.9495 0.000701843 -0.000459438 0.00150135 33
9706 42 C 38.1044 30.7587 17.5722 0.000229489 -0.00168172 -0.00483145 33
9707 43 C 37.9445 30.8265 18.9685 0.00362832 -8.84272e-05 4.18938e-05 33
9708 44 C 39.1108 30.7249 19.7534 0.00162211 -0.00135543 -0.00227436 33
9709 45 C 34.2096 33.7476 18.4723 -0.00333097 -0.00151313 0.000161225 33
9710 46 C 34.315 33.6427 17.0837 0.000503578 0.00464234 -0.0023422 33
9711 47 C 35.2993 32.8177 16.5081 0.00267961 -0.00369137 -0.00282176 33
9712 48 C 35.9485 31.8704 17.3059 0.0021137 0.000423197 0.0020181 33
9713 49 C 36.7959 30.6611 16.7857 -0.00157902 0.00186247 -0.00118466 33
9714 50 C 35.7658 31.9362 18.7077 -0.00300446 0.000344708 -0.000149367 33
9715 51 C 34.9434 32.899 19.3247 0.00289379 -0.000231915 0.00274938 33
9716 52 O 39.3752 30.876 15.6243 -0.000676842 0.00131532 -0.00200928 33
9717 53 O 35.9822 28.0981 15.319 0.00365545 -0.000238431 0.00121881 33
9718 54 O 35.5012 32.8528 15.1669 0.00384169 -0.0023572 0.000332634 33
9719 55 C 31.1483 30.7681 31.6537 0.00149081 -0.00447309 -8.10396e-05 33
9720 56 C 32.0235 29.552 31.1593 -0.000845866 -0.00234569 0.00179475 33
9721 57 C 39.5039 29.765 14.7352 0.00269332 0.00031617 -0.00277658 33
9722 58 C 39.1406 30.2022 13.299 0.00322324 -0.00661455 0.00389552 33
9723 59 C 37.6522 30.503 13.0734 -0.00098507 -0.00343846 0.00253264 33
9724 60 C 37.1215 30.5501 11.6473 0.00169907 0.00153781 8.8041e-05 33
9725 61 C 37.9831 29.984 10.5098 -0.00139558 -0.000243623 -0.0047098 33
9726 62 C 37.3504 30.3315 9.15303 0.00248099 0.00192863 -0.00200154 33
9727 63 C 38.3436 30.0783 8.02597 -0.00367174 -0.00504788 0.000749872 33
9728 64 C 37.6948 30.4029 6.68036 -0.00074407 0.00441424 0.000518716 33
9729 65 C 38.5773 30.1459 5.46108 0.000236412 -0.00196608 0.000537416 33
9730 66 C 37.8344 30.2805 4.10847 3.13166e-05 0.00386454 0.0010805 33
9731 67 C 38.7827 29.861 2.98743 0.0005473 0.000543663 -0.000858481 33
9732 68 C 38.1316 30.0771 1.59383 0.000866952 0.00134769 -0.00594139 33
9733 69 F 34.6919 33.1761 23.0862 -0.0013439 -0.00235262 -0.00179737 33
9734 70 C 36.363 26.8055 14.8099 -0.00223193 -0.00319339 0.00239195 33
9735 71 C 36.9317 26.974 13.4084 -0.0016242 -0.000406867 -0.00245292 33
9736 72 C 37.39 25.6169 12.8295 0.00159897 -0.000368589 0.000436895 33
9737 73 C 37.8144 25.7109 11.3608 0.00100425 0.00446524 0.00116749 33
9738 74 C 38.3841 24.3775 10.8905 -0.00440437 -0.00230216 -0.00407276 33
9739 75 C 39.1843 24.4762 9.58377 -0.00254306 0.00258516 -0.0015685 33
9740 76 C 38.4326 24.7269 8.26267 -0.00281524 -0.0016664 -0.00210398 33
9741 77 C 38.2773 26.2289 7.9132 0.00301423 -0.00246079 -0.00374993 33
9742 78 C 37.6301 26.4853 6.54191 0.00489752 0.00622031 -0.00089502 33
9743 79 C 38.6239 26.2717 5.33747 0.00220196 -0.00275588 0.000792432 33
9744 80 C 37.8683 26.229 4.01474 0.000920743 -0.0063205 0.00340634 33
9745 81 C 38.7516 25.8403 2.80143 0.00326499 -0.000811538 -0.000462167 33
9746 82 C 34.5906 32.2741 14.2918 -0.00129531 0.000251778 -0.00280386 33
9747 83 C 34.8693 32.9705 12.9552 -0.000322938 -0.0026207 -0.000180969 33
9748 84 C 34.0689 32.321 11.797 0.00180805 -0.00136078 0.00331609 33
9749 85 C 34.2799 32.9673 10.4086 0.000250028 0.000153577 -0.00291062 33
9750 86 C 33.598 32.0759 9.32944 0.000522389 0.000222873 -0.00285251 33
9751 87 C 33.1836 32.8627 8.08106 0.00590596 0.00467445 0.000446127 33
9752 88 C 34.2158 32.8257 6.9328 0.000331422 -0.00348024 0.00264329 33
9753 89 C 34.0025 31.5846 5.99592 -0.000742375 0.00572979 0.00201243 33
9754 90 C 34.729 31.7268 4.63692 0.00361682 -0.00269568 0.000608013 33
9755 91 C 34.098 32.7935 3.74234 0.00176083 -0.00220625 0.000670297 33
9756 92 C 33.6629 32.2448 2.37556 -0.00248113 0.00014104 -0.00152693 33
9757 93 C 34.9344 32.0184 1.46982 0.00273971 6.02582e-05 -0.00408599 33
9758 94 C 26.9042 30.5089 33.1688 -0.000781872 -0.00315071 -0.00651886 33
9759 95 C 26.8574 30.885 34.6589 -0.00290011 -0.000858545 0.00243325 33
9760 96 C 25.5112 30.5518 35.362 -0.0018421 4.51469e-05 0.00216243 33
9761 97 C 25.3927 31.152 36.7803 0.000709216 0.00278456 0.000465169 33
9762 98 C 25.5669 30.1212 37.9127 -0.00456169 0.00305702 -0.000967216 33
9763 99 C 25.6831 30.8886 39.2835 -0.00105452 0.00327263 0.00115168 33
9764 100 C 25.6019 30.0132 40.5447 -0.00192605 0.00425816 0.000864278 33
9765 101 C 26.0416 30.7371 41.8265 0.000484862 0.00537899 0.00191373 33
9766 102 C 25.8302 29.8113 43.0462 0.000409373 -0.000595094 -0.000341477 33
9767 103 C 26.4973 30.2818 44.3628 -0.00195086 0.00227875 0.0025946 33
9768 104 C 25.561 31.0328 45.3538 0.00220429 0.000283305 0.000484199 33
9769 105 C 26.2623 31.2621 46.6556 -0.0024643 0.00126284 0.000551509 33
9770 106 C 33.0701 34.4016 33.9045 0.00526892 -0.00627934 -0.0010917 33
9771 107 C 32.726 34.6983 35.4237 0.00167481 -0.00147588 -0.00207013 33
9772 108 C 33.7716 35.6943 36.0656 -0.000444048 0.000579334 0.00245058 33
9773 109 C 33.5159 36.2895 37.4756 -0.00371472 0.0065825 -0.0010581 33
9774 110 C 33.3668 35.331 38.6609 0.000923637 0.00177199 -0.000372222 33
9775 111 C 33.5449 36.0474 40.0699 -0.00180375 0.00420666 0.00143355 33
9776 112 C 33.2071 35.189 41.3057 -0.00159272 -0.00144285 -0.000900744 33
9777 113 C 33.9854 35.7351 42.5402 0.00177838 0.000559415 -0.00514946 33
9778 114 C 33.4685 35.3363 43.9371 0.00156033 0.00162445 0.00137644 33
9779 115 C 34.3049 36.0372 45.0783 0.00385228 0.000972754 0.00218607 33
9780 116 C 33.643 35.8716 46.491 0.00146248 -0.00275138 -0.00192618 33
9781 117 C 33.7324 34.4445 47.0657 0.00184491 -0.000166696 0.000746733 33
9782 118 C 32.4782 27.0779 34.0692 0.00146382 0.00536377 0.00183131 33
9783 119 C 32.8775 27.465 35.5054 0.000588035 0.00206203 0.00296931 33
9784 120 C 33.1016 26.2458 36.4317 0.000237668 -0.00250672 3.60994e-05 33
9785 121 C 33.8071 26.6253 37.7634 0.00144722 -0.000648896 -0.00163132 33
9786 122 C 33.4547 25.7291 38.9586 -0.00128642 0.00171286 0.00068483 33
9787 123 C 34.0747 26.2271 40.2912 -0.00180495 -0.00510565 0.00230046 33
9788 124 C 33.4704 25.4519 41.4864 0.00257015 0.00205025 -0.00283392 33
9789 125 C 33.8894 26.0193 42.8417 0.000775093 0.00140777 0.000751523 33
9790 126 C 33.0677 25.3093 43.9232 -0.00121196 0.00357441 -0.00332233 33
9791 127 C 33.6264 25.4995 45.3462 0.000998611 0.00308633 0.00437379 33
9792 128 C 33.3519 26.8952 45.9241 0.00271718 0.00186807 0.00589482 33
9793 129 C 34.3867 27.1713 47.0245 0.00147504 -0.00121418 -0.00109085 33
9794 130 F 32.9305 33.0805 25.267 -4.19429e-06 -0.00101017 0.00246688 33
9795 131 H 33.4868 35.0973 31.5583 0.0075456 -0.00671257 -0.00538966 33
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9797 133 H 33.0767 32.9179 27.9597 -0.00933473 0.00310283 -0.00654581 33
9798 134 H 26.4472 30.655 30.7239 0.00203419 0.00564114 0.0100312 33
9799 135 H 26.8944 30.6744 28.2735 -0.00202839 0.0107273 -0.00494601 33
9800 136 H 29.1394 30.4939 27.4287 -0.0107173 0.00411594 -0.00304115 33
9801 137 H 33.3147 26.4059 31.6656 0.0152861 0.000284783 -0.00847977 33
9802 138 H 33.7181 26.538 29.2749 0.0092481 0.00892355 -0.00663255 33
9803 139 H 32.961 28.4599 27.9937 -0.00293161 -0.00994163 -0.00412105 33
9804 140 H 35.1819 28.6421 23.4183 -0.00424191 -0.000175061 -0.00145555 33
9805 141 H 33.6828 28.5562 25.3644 0.00295134 0.00648452 0.00410676 33
9806 142 H 34.5219 26.4445 19.3519 -0.00701059 -0.00321959 -0.00247243 33
9807 143 H 34.9155 26.246 16.8949 -0.0131938 0.00483938 -0.00397766 33
9808 144 H 35.2713 28.3589 20.5481 0.000531978 -0.00228899 0.00310605 33
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9810 146 H 41.4154 30.5245 17.265 0.00217109 0.00765126 0.00451036 33
9811 147 H 39.0513 30.7437 20.8376 -0.00383145 0.00301532 -0.00264708 33
9812 148 H 33.5292 34.4895 18.8796 -0.00645679 -0.000457435 -0.00696019 33
9813 149 H 33.6734 34.2532 16.4551 -0.000104142 0.00986018 0.00334754 33
9814 150 H 36.9323 30.6416 15.6974 -0.00207894 0.00707383 -0.00134325 33
9815 151 H 34.8207 32.9756 20.401 0.000162224 0.00860643 0.00181142 33
9816 152 H 31.0105 30.8226 32.7407 -0.0103731 0.00598063 -0.00211313 33
9817 153 H 40.5258 29.3829 14.8496 0.00338121 0.00393796 0.00328189 33
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9819 155 H 39.6145 29.5247 12.5779 0.00221285 0.00591124 -0.00854385 33
9820 156 H 39.6755 31.1576 13.2333 0.0024651 -0.00561551 0.0119028 33
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9824 160 H 36.167 30.01 11.623 0.00488801 -0.0044913 0.00900665 33
9825 161 H 38.0336 28.8951 10.6323 0.0125438 0.00101399 0.000685531 33
9826 162 H 39.0137 30.36 10.5046 -0.00438884 0.00802314 0.00432287 33
9827 163 H 36.9731 31.3615 9.1593 0.00882582 0.00430493 -0.0153099 33
9828 164 H 36.4268 29.7701 8.96556 0.00266602 0.00426145 -0.00995833 33
9829 165 H 38.6887 29.0394 8.09718 -0.00682367 -0.00626884 -0.00184738 33
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9879 215 H 34.1419 33.7675 6.37517 0.00758577 0.000659368 0.00864519 33
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9884 220 H 34.7424 30.7785 4.08556 -0.0223721 -0.00551245 0.00483299 33
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9889 225 H 34.6486 31.3708 0.631766 0.00164383 -0.0107384 0.004601 33
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9894 230 H 27.7049 30.4952 35.2361 7.9321e-05 0.00398797 0.00133971 33
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9899 235 H 24.3878 31.5752 36.9005 -0.000412159 -0.00255498 0.00992692 33
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9901 237 H 26.4777 29.5435 37.7123 -0.0132787 -0.0116952 0.00203152 33
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9905 241 H 26.1978 29.096 40.4609 -0.00507942 0.00270201 -0.00445314 33
9906 242 H 27.0685 31.1001 41.6954 0.000870804 0.00657517 0.0083125 33
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9908 244 H 24.7447 29.7969 43.2036 0.00208349 -0.00853365 0.0103909 33
9909 245 H 26.1179 28.7725 42.8426 -0.0131576 -0.00264616 -0.00907544 33
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9912 248 H 25.2293 31.9676 44.8852 -0.014034 -0.0097687 -0.00808099 33
9913 249 H 24.7079 30.3839 45.5876 0.00899093 -0.0115585 -0.00754212 33
9914 250 H 27.1765 31.8666 46.6075 0.0117936 -0.0199614 0.00572623 33
9915 251 H 25.6186 31.8428 47.3278 0.00307964 0.0114768 -0.00293463 33
9916 252 H 26.4287 30.2638 47.0787 -0.00375836 0.00683144 0.0141349 33
9917 253 H 34.1449 34.1835 33.8811 0.00851223 0.0107617 -0.0107746 33
9918 254 H 32.8875 35.3657 33.4141 0.00949212 -0.00411843 0.00159474 33
9919 255 H 31.7376 35.1698 35.4891 0.00507041 0.00625198 -0.00637782 33
9920 256 H 32.6809 33.8018 36.0542 0.011819 -0.00567158 -0.0073233 33
9921 257 H 34.7774 35.2564 36.0579 0.000489081 0.00291161 -0.0100218 33
9922 258 H 33.8561 36.5908 35.4391 -0.00609323 -0.0244686 -0.0340201 33
9923 259 H 34.375 36.9343 37.6984 0.00199239 -0.00500071 0.010415 33
9924 260 H 32.7102 37.0339 37.4742 -0.00314774 0.00722883 0.00736239 33
9925 261 H 32.4036 34.8142 38.5686 -0.000147679 0.00311261 0.00335787 33
9926 262 H 34.1172 34.5456 38.5076 0.00455578 0.00448105 0.00358586 33
9927 263 H 34.6034 36.3119 40.1837 0.000934723 -0.00664688 0.00125395 33
9928 264 H 32.9785 36.9861 40.1087 -0.0070833 0.000601626 0.0113963 33
9929 265 H 32.1398 35.3336 41.5141 0.00157145 0.0071962 0.00940984 33
9930 266 H 33.4224 34.1285 41.1256 0.0175154 0.0013432 0.00557859 33
9931 267 H 35.033 35.4328 42.4188 0.00580745 0.00877624 0.00930624 33
9932 268 H 33.9601 36.8316 42.5202 -0.00527485 0.00022915 -0.0142828 33
9933 269 H 32.4405 35.6979 44.0633 -0.00300606 -0.0146304 0.0106326 33
9934 270 H 33.4894 34.2486 44.0782 0.00363923 0.00225376 0.00596676 33
9935 271 H 35.3386 35.674 45.1323 0.00107715 -0.00713838 0.000711453 33
9936 272 H 34.3758 37.1037 44.8313 0.0083031 -0.00119787 -0.00591794 33
9937 273 H 34.0947 36.5641 47.2119 0.00402715 -0.00794145 0.00145598 33
9938 274 H 32.5665 36.0812 46.4647 0.000749469 -0.00418499 0.0150985 33
9939 275 H 33.1168 33.8119 46.4145 0.00685686 -0.0022913 -0.0019216 33
9940 276 H 34.7589 34.0582 47.0872 -0.00114606 -0.00843728 -0.00463329 33
9941 277 H 33.3138 34.4043 48.0789 0.0040086 -0.00473621 0.00145857 33
9942 278 H 31.5985 26.4225 34.0688 0.000412873 0.00677455 0.000411123 33
9943 279 H 33.3188 26.514 33.6462 -0.00105838 -0.000679662 0.00487668 33
9944 280 H 32.0827 28.1028 35.9114 0.000288064 0.00409901 -0.000816319 33
9945 281 H 33.7699 28.1019 35.467 -0.000480172 0.00359164 0.00349652 33
9946 282 H 33.7131 25.4815 35.9364 -0.00933327 -0.000124685 -0.0154206 33
9947 283 H 32.106 25.8292 36.6285 -0.000338383 0.00134129 0.00527138 33
9948 284 H 33.4982 27.6394 38.0455 0.00493214 -0.00114821 0.0039724 33
9949 285 H 34.899 26.5621 37.6782 0.00155596 -0.00106739 3.19241e-05 33
9950 286 H 33.7478 24.6915 38.7563 -0.00915854 -0.00249456 0.0107758 33
9951 287 H 32.3639 25.6483 39.0425 -0.0023608 0.00685857 -0.00837063 33
9952 288 H 33.834 27.2862 40.4454 -0.000999503 -0.00443938 -0.00103974 33
9953 289 H 35.1713 26.2084 40.3136 -0.00168432 -0.00172278 -0.000669524 33
9954 290 H 33.8385 24.4188 41.4595 0.0208849 0.00812885 0.0127794 33
9955 291 H 32.3757 25.4299 41.4191 0.00266304 -0.0116402 7.20961e-05 33
9956 292 H 33.7393 27.1011 42.9441 -0.00300412 0.0016115 -0.00707825 33
9957 293 H 34.969 25.8436 42.9247 -0.00092039 -0.0130007 -0.00761505 33
9958 294 H 33.1038 24.2362 43.6982 -0.00422485 0.00503567 -0.0107482 33
9959 295 H 32.0509 25.716 43.8586 -0.00758686 -0.0122416 -0.0019237 33
9960 296 H 34.6975 25.2816 45.4391 -0.000390903 -0.00435233 0.0028673 33
9961 297 H 33.1262 24.7596 45.9832 0.0103865 0.00257271 0.0111355 33
9962 298 H 32.3728 26.9657 46.4139 -0.00410179 0.000749276 -0.00765477 33
9963 299 H 33.4929 27.7 45.1921 0.000131054 0.00430682 0.00807737 33
9964 300 H 34.2409 28.1287 47.5396 0.00141251 -0.00119071 -0.00115235 33
9965 301 H 35.3906 27.3362 46.6141 -0.000831398 0.0165873 0.000327673 33
9966 302 H 34.459 26.3609 47.7603 -0.00133438 0.00415442 0.00509296 33
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9968 2 C 37.3344 40.6825 29.12 -0.00686044 0.00290839 -0.000401629 34
9969 3 C 36.8968 39.5729 28.4477 0.000664779 -0.000915408 -0.00300547 34
9970 4 C 36.1843 38.5875 29.1374 -0.0018142 0.00310512 -0.00080205 34
9971 5 C 35.9792 38.6546 30.5447 1.97074e-05 -0.00100131 -0.0034902 34
9972 6 C 36.4969 39.7733 31.2468 0.00279016 -0.00187384 0.00196157 34
9973 7 C 31.5061 37.6375 29.8131 -0.00133896 -0.00480138 -0.00132893 34
9974 8 C 31.7294 37.6148 28.4254 -8.60912e-05 0.000658614 0.00193041 34
9975 9 C 33.0321 37.5129 27.963 -0.00082881 0.00244902 0.00136343 34
9976 10 C 34.0865 37.4575 28.8744 0.0020566 0.00347248 0.0021459 34
9977 11 C 33.8606 37.4638 30.2673 0.00278341 -0.00118001 -0.00254597 34
9978 12 C 32.5722 37.5695 30.7296 0.000752508 -0.00309773 -0.0022373 34
9979 13 C 36.8797 33.9471 30.7611 0.000213361 0.00114031 -0.000249049 34
9980 14 C 37.0167 33.9348 29.3822 -0.00433262 -0.00423408 -0.0032306 34
9981 15 C 36.6258 34.9877 28.6037 -1.9781e-06 0.00320926 0.00248412 34
9982 16 C 36.1023 36.1242 29.2229 -0.00232492 -0.00509065 -0.00017772 34
9983 17 C 35.5305 37.3686 28.4582 -0.00297182 0.00031177 0.00165337 34
9984 18 O 36.2264 34.9708 32.8053 0.00406981 -0.000733748 -0.00174508 34
9985 19 O 32.3647 37.7587 32.0889 -0.00317134 -0.00284042 0.00411062 34
9986 20 O 36.2665 39.9568 32.5937 0.00379334 -0.000910681 0.00056578 34
9987 21 C 36.332 35.0424 31.4222 -0.000132332 -0.00117673 0.00590149 34
9988 22 C 35.8591 37.3208 27.025 0.00217415 -0.0018455 -0.00172781 34
9989 23 C 36.3522 37.3247 25.9213 0.000547867 0.00136096 0.000470486 34
9990 24 C 37.1387 37.341 24.7042 -0.000560973 0.0011684 -0.000969241 34
9991 25 C 37.6704 36.1214 24.2123 0.00477872 0.000850684 -0.000291568 34
9992 26 C 38.5874 36.1451 23.1482 -0.00416809 0.00131399 0.00115239 34
9993 27 C 38.9018 37.4169 22.577 0.000302011 0.000844982 0.00245324 34
9994 28 C 38.3687 38.6099 23.0911 0.00034106 0.00369604 -0.00325322 34
9995 29 C 37.464 38.5703 24.1267 0.00294743 0.00107499 0.00392463 34
9996 30 C 39.6921 37.4394 21.3952 -0.000904295 0.00345234 -0.00270989 34
9997 31 C 40.2017 37.4761 20.3005 -0.00439437 -0.000930766 0.00175963 34
9998 32 C 38.398 34.1775 18.1107 0.00359304 0.00164089 0.00172747 34
9999 33 C 38.532 34.2019 16.7288 -0.000287359 -0.000207645 0.00253003 34
10000 34 C 39.2602 35.215 16.0517 -0.000299335 -0.00323593 0.0029275 34
10001 35 C 39.9123 36.1755 16.7907 0.00148815 -0.00134577 -0.0028894 34
10002 36 C 39.7743 36.1606 18.2172 0.00262018 -0.00482722 0.0034542 34
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10005 39 C 44.3579 37.2283 18.6128 -0.00618536 0.00252628 0.00208729 34
10006 40 C 44.4926 37.1458 17.2308 -0.000280109 -0.00485484 0.00582774 34
10007 41 C 43.413 36.9958 16.3907 -0.00409779 -0.0048423 0.00177658 34
10008 42 C 42.1387 37.1069 16.9704 -0.000642482 -0.00264016 -0.00345481 34
10009 43 C 41.9655 37.1854 18.3605 -0.00149339 -0.00218214 0.000755621 34
10010 44 C 43.0827 37.2334 19.2052 -0.00170417 6.37866e-05 0.000659928 34
10011 45 C 39.5814 41.0442 17.9371 0.00207951 -9.95978e-05 0.00595617 34
10012 46 C 40.0104 41.0296 16.5738 0.00275874 -0.00220968 0.00242332 34
10013 47 C 40.4236 39.8325 16.0016 0.000396809 0.000863126 0.000426613 34
10014 48 C 40.3773 38.6154 16.7192 0.00188952 0.00256392 0.00447948 34
10015 49 C 40.8323 37.253 16.2413 -0.00030641 0.00171677 -0.001409 34
10016 50 C 40.0707 38.6357 18.0693 0.00409906 0.000514672 -7.82338e-05 34
10017 51 C 39.5457 39.8183 18.6833 -0.00211652 -0.000173 0.000108311 34
10018 52 O 43.5715 36.9431 15.0091 -4.66069e-06 -0.000925771 0.000548633 34
10019 53 O 39.3429 35.2699 14.7013 -0.00106834 0.00294963 0.000640538 34
10020 54 O 40.949 39.8253 14.7129 0.000998579 -0.00387532 -0.000320666 34
10021 55 C 35.1844 37.4428 31.0988 0.00507226 0.00318995 0.00131967 34
10022 56 C 35.9348 36.1627 30.6292 0.00100982 0.00172339 -0.00286033 34
10023 57 C 42.919 36.0178 14.1176 -0.00174852 -0.000408661 -0.00347242 34
10024 58 C 42.1889 36.7669 13.0273 0.00227707 0.000860419 -0.0034569 34
10025 59 C 42.6668 36.4445 11.6222 -0.00120504 0.00142506 -0.000524086 34
10026 60 C 41.808 37.1016 10.5353 0.00369385 0.00162082 0.00370375 34
10027 61 C 42.4866 37.1216 9.125 -0.00322222 0.000140325 0.00463492 34
10028 62 C 41.5548 37.7766 8.09535 4.65011e-05 -0.0028831 0.00292167 34
10029 63 C 42.1993 37.9457 6.70053 -0.00311546 0.00338747 -0.00182487 34
10030 64 C 41.6361 36.9543 5.66536 0.00238086 -0.00129549 -0.00494493 34
10031 65 C 42.4699 36.9634 4.38318 0.000411635 -0.00149095 0.00303907 34
10032 66 C 42.2838 38.1847 3.48312 -0.00221215 0.00312236 -0.00261717 34
10033 67 C 42.6927 37.8838 2.02815 0.00196709 0.0050633 -0.00303538 34
10034 68 C 41.6814 37.1166 1.20106 0.00330323 -0.000746268 -0.00211113 34
10035 69 F 38.9987 34.9663 22.6305 -0.00206158 0.0032333 -0.000342866 34
10036 70 C 38.9838 34.1694 13.8665 -0.00201641 -0.00217704 0.000198376 34
10037 71 C 39.218 34.6772 12.402 0.00324326 -0.00044871 -0.00144707 34
10038 72 C 38.5929 33.6932 11.4318 0.000459206 0.000453373 0.00159547 34
10039 73 C 39.1787 33.7869 9.99661 -0.000649838 0.000138645 -0.00169478 34
10040 74 C 38.6435 34.8649 9.06714 0.00413146 0.000174233 -0.000567378 34
10041 75 C 38.1521 34.2027 7.73045 -0.000826476 -0.00510012 0.00285148 34
10042 76 C 38.3742 35.1313 6.5607 0.00130941 0.000458413 0.0012522 34
10043 77 C 37.9017 34.4074 5.29457 0.000708339 4.73774e-05 0.00373645 34
10044 78 C 38.1969 35.1355 3.96294 -0.000408134 0.00297812 -0.00110854 34
10045 79 C 37.9163 34.227 2.76284 -0.00551384 0.00172269 0.0011407 34
10046 80 C 38.3225 34.8406 1.41712 0.00320039 -0.003638 -0.00199961 34
10047 81 C 38.2156 33.8685 0.264001 0.000267408 -0.00113003 0.00294014 34
10048 82 C 41.1239 40.9947 13.8709 0.00230742 -0.00215819 -0.00321502 34
10049 83 C 41.6676 40.553 12.5132 -0.000892477 0.00152068 -0.00454713 34
10050 84 C 42.071 41.748 11.5829 -0.00023458 0.00317521 0.00506784 34
10051 85 C 42.1035 41.2993 10.0792 -0.000627249 0.00105453 -0.00184372 34
10052 86 C 43.0233 42.154 9.18239 -0.00330669 -0.00255543 0.000462037 34
10053 87 C 42.8339 41.9262 7.66171 0.00489822 -0.00153035 -0.0019736 34
10054 88 C 41.6388 42.5891 6.97153 0.000983998 0.00215489 -0.000130325 34
10055 89 C 41.9977 43.1865 5.58552 -0.000640646 -0.00132717 0.00209928 34
10056 90 C 42.04 42.1468 4.44099 -0.00318066 0.00187759 -0.00177979 34
10057 91 C 42.1798 42.8983 3.08153 0.00181377 0.000315217 -0.00198664 34
10058 92 C 42.3552 42.012 1.86573 0.000363024 -0.00156711 -0.00232703 34
10059 93 C 41.1916 41.0992 1.52685 0.00215559 0.00192603 -0.00144328 34
10060 94 C 31.1238 37.3583 32.7249 0.0013553 0.000395538 0.00162267 34
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10148 182 H 38.8566 32.7043 11.8265 -0.0122879 -0.0022845 0.00324698 34
10149 183 H 37.4974 33.7345 11.3925 -5.35461e-05 0.00016157 0.0159461 34
10150 184 H 40.2255 34.0678 10.1658 -0.00125892 -0.00228034 0.00616253 34
10151 185 H 39.1955 32.7792 9.56326 0.00595238 0.00239533 -0.00668914 34
10152 186 H 37.8697 35.4808 9.54182 0.0087239 0.00158069 0.00509768 34
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10155 189 H 37.0999 33.897 7.78262 -0.00299983 0.00404606 0.0122529 34
10156 190 H 37.8675 36.0928 6.70966 0.00457191 0.000877712 0.00968097 34
10157 191 H 39.4489 35.3453 6.5094 0.00140411 -0.00385203 -0.0144631 34
10158 192 H 38.4158 33.439 5.25938 0.00350919 0.00171634 -0.00132145 34
10159 193 H 36.8257 34.2013 5.35096 -0.000908668 0.00928829 0.00666228 34
10160 194 H 37.5285 36.0043 3.91883 0.0100914 0.0107293 -0.00732836 34
10161 195 H 39.2227 35.5178 3.89318 0.000690874 0.00152365 0.00725689 34
10162 196 H 38.4843 33.302 2.92172 0.00434234 0.00976672 0.0127864 34
10163 197 H 36.8615 33.929 2.80846 -0.00377395 -0.00483385 -0.00147018 34
10164 198 H 37.7676 35.7574 1.18253 -0.00170571 -0.00309613 0.0118071 34
10165 199 H 39.385 35.1105 1.45772 0.00362741 -0.0066875 0.00701039 34
10166 200 H 38.5527 34.3897 -0.640493 -0.0089582 0.00128464 0.000897026 34
10167 201 H 38.8987 33.0213 0.401169 0.00414741 0.00174862 0.00138937 34
10168 202 H 37.2443 33.414 0.0330387 0.00417333 -0.0120578 0.0079309 34
10169 203 H 40.1397 41.4693 13.7739 -0.00188172 -0.00972492 0.00210834 34
10170 204 H 41.8117 41.7272 14.311 -0.00767491 -0.000980068 0.0104157 34
10171 205 H 42.5031 39.8509 12.6237 -0.00530529 -0.00440176 -0.00876388 34
10172 206 H 40.8854 40.0095 11.969 0.00278773 -0.00651865 -0.00178933 34
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10174 208 H 43.0646 42.1297 11.8484 -0.000308811 0.0029601 0.00565186 34
10175 209 H 42.4075 40.2471 10.0169 0.011359 0.00424275 0.00308068 34
10176 210 H 41.068 41.2668 9.71838 -0.00177762 -0.00479962 0.00194385 34
10177 211 H 42.9318 43.2306 9.37217 0.00155311 -0.00180659 -0.00141281 34
10178 212 H 44.0578 41.8748 9.41769 -0.000748725 0.00142065 -0.00605374 34
10179 213 H 43.7638 42.3561 7.26935 0.000989874 0.00190698 -0.00742681 34
10180 214 H 42.8664 40.8646 7.38712 -0.00655316 -0.0021911 -0.000729715 34
10181 215 H 40.8447 41.8353 6.90366 0.011822 -0.0108615 0.0173181 34
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10185 219 H 42.9157 41.5112 4.6212 0.00219729 0.0122449 0.00873194 34
10186 220 H 41.1712 41.4771 4.45093 0.00703688 -0.0115069 -0.00841398 34
10187 221 H 41.298 43.5452 2.99474 -0.00735608 -0.0101857 0.0124413 34
10188 222 H 43.0826 43.5209 3.11072 0.0130738 -0.0161727 0.00254679 34
10189 223 H 42.4141 42.6926 1.00742 -0.010356 -0.00303943 -0.0042534 34
10190 224 H 43.2739 41.4143 1.91207 -0.0036105 -0.00844947 -0.0119754 34
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10214 248 H 30.1823 39.2022 43.9403 0.0089334 0.00108904 0.0123879 34
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10222 256 H 37.4758 40.4331 35.0381 -0.0136038 -0.000543826 0.0156877 34
10223 257 H 37.6605 42.9553 35.2672 0.0032779 -0.00692044 0.000646204 34
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10225 259 H 36.2228 43.5093 37.1858 0.00605227 -0.00388714 0.0210286 34
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10229 263 H 37.1493 43.6084 39.3793 -0.00730015 0.000557279 0.0146412 34
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10231 265 H 38.0804 40.8978 40.3287 0.0160556 0.00228219 0.00846355 34
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10233 267 H 38.9585 42.2781 42.3943 -0.0079427 -0.00154545 0.00740156 34
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10237 271 H 37.2131 43.6641 44.1129 0.00170974 -0.00351595 -0.0066658 34
10238 272 H 35.7501 42.8156 44.3748 0.00499988 0.00663375 0.00882636 34
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10241 275 H 37.6394 41.2781 47.1479 -0.00310718 0.00855706 0.00452939 34
10242 276 H 37.5818 42.9777 46.8653 -0.0154686 0.00344183 0.011765 34
10243 277 H 36.087 42.0642 46.7045 0.00126416 -0.0219452 0.0107401 34
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10250 284 H 38.6293 34.0001 37.3721 -0.00482267 0.00119927 0.000531559 34
10251 285 H 38.4531 32.2186 37.6439 -0.014036 -0.00918399 0.00247388 34
10252 286 H 36.1022 32.4681 38.0208 -0.00313776 0.00143971 -0.0043284 34
10253 287 H 36.1638 34.2391 37.7798 0.00882714 0.00121577 -0.0100195 34
10254 288 H 36.4751 34.4201 40.02 0.00120061 -0.0026246 0.00522652 34
10255 289 H 38.128 33.9164 39.6165 0.000975755 -0.00336706 0.00131282 34
10256 290 H 37.4106 31.5146 40.0093 0.00854478 0.00296371 -0.00529867 34
10257 291 H 35.872 32.056 40.6954 0.000983806 -0.0213771 -0.00881242 34
10258 292 H 38.6196 32.768 41.7208 -0.00178043 0.00544534 -0.00295815 34
10259 293 H 37.6977 31.4004 42.2457 0.00146175 -0.00354746 0.00204971 34
10260 294 H 35.8498 33.0737 43.0719 -0.000130358 -0.00309458 0.0187307 34
10261 295 H 37.0134 34.3483 42.8591 -0.0105788 0.00064755 -0.000725813 34
10262 296 H 38.6796 33.0129 44.1979 9.37208e-05 0.0177916 0.00983414 34
10263 297 H 37.5327 31.7861 44.4946 -0.00367392 -0.00655277 -0.0165948 34
10264 298 H 35.9957 33.4886 45.5376 -0.00168825 0.00685775 0.00501635 34
10265 299 H 37.404 34.6465 45.5706 0.0131957 -0.000406082 0.0205275 34
10266 300 H 37.1287 33.3782 47.7596 -0.00808327 -0.00318286 -0.00114808 34
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10269 1 C 41.0242 33.9103 30.9889 -0.0028613 -0.00114948 -0.000441355 35
10270 2 C 41.1438 33.7819 29.5932 -0.00382293 0.00118522 -4.16314e-05 35
10271 3 C 40.5665 32.6784 28.9666 -0.000341865 -0.00182263 0.00223599 35
10272 4 C 39.9202 31.6851 29.7233 -0.00134224 0.00426008 0.00276233 35
10273 5 C 39.787 31.8187 31.1375 -0.000441607 -0.00591101 0.00152117 35
10274 6 C 40.2885 32.9845 31.7521 -0.00250846 -0.0016503 -0.00355566 35
10275 7 C 35.2483 30.7986 30.5463 -0.00160463 -0.0022298 0.00298119 35
10276 8 C 35.4865 30.6875 29.1745 -0.000885288 -0.00144968 0.00504613 35
10277 9 C 36.74 30.4894 28.6847 0.00258041 -0.000934161 -0.000252254 35
10278 10 C 37.8245 30.4864 29.591 -0.000340015 0.000372983 0.000784524 35
10279 11 C 37.6316 30.6234 31.0028 0.00192232 -0.00248767 0.0035267 35
10280 12 C 36.2925 30.7176 31.5057 0.00369517 0.00420818 0.00221607 35
10281 13 C 40.9093 27.2258 31.5384 0.000105432 0.00160934 -0.000397733 35
10282 14 C 41.0218 27.1813 30.1534 0.00074781 -0.00427888 -0.00611305 35
10283 15 C 40.5053 28.1858 29.3827 -0.000122613 -0.00105356 0.00222217 35
10284 16 C 39.8794 29.2806 29.9711 0.00440353 0.000684839 7.92191e-05 35
10285 17 C 39.288 30.4266 29.1444 0.00108094 -0.000217634 -0.00164273 35
10286 18 O 40.1106 28.2332 33.5943 -0.000446236 -0.00123929 -0.00289744 35
10287 19 O 36.0593 30.8024 32.8783 -0.000193525 0.00106859 -0.00374179 35
10288 20 O 40.2702 33.1562 33.1356 0.00114571 -0.00171784 0.00357535 35
10289 21 C 40.2112 28.2699 32.1907 -0.00591582 -0.00650764 -2.47435e-05 35
10290 22 C 39.5913 30.3253 27.729 0.00314686 0.000707345 0.00347228 35
10291 23 C 40.1023 30.331 26.6063 -0.000272914 -0.00011577 0.00258529 35
10292 24 C 40.8933 30.4003 25.4057 0.000250459 -0.00545029 0.00363891 35
10293 25 C 40.9406 31.6204 24.7092 0.00287314 -0.00406566 0.000245182 35
10294 26 C 41.8208 31.757 23.6182 0.000575733 -0.00118031 0.00134393 35
10295 27 C 42.6648 30.681 23.2517 7.13278e-05 0.000392464 0.00179723 35
10296 28 C 42.6589 29.4971 23.9976 -0.00163055 -0.00116464 -0.000801321 35
10297 29 C 41.713 29.3542 25.064 -0.000892185 -0.00023961 0.00445976 35
10298 30 C 43.4801 30.7071 22.0777 -0.00385126 0.000614085 0.00135231 35
10299 31 C 43.9725 30.6649 20.9755 0.00257463 -0.00046098 -0.000691079 35
10300 32 C 42.7161 27.1635 18.8385 -0.000675676 0.00234461 -0.000255368 35
10301 33 C 42.9132 27.1509 17.4337 0.000411725 0.000457495 -0.000840934 35
10302 34 C 43.5171 28.2188 16.7684 0.000414993 0.000304064 0.0015046 35
10303 35 C 43.9573 29.3383 17.4837 -0.00524998 -0.00162867 0.00331191 35
10304 36 C 43.7793 29.3602 18.8951 -0.000103847 0.000986339 0.00249102 35
10305 37 C 43.1561 28.2747 19.5679 -0.00115539 0.0036794 -9.08685e-05 35
10306 38 C 44.3272 30.6301 19.5534 -0.0028156 0.00274725 0.00252988 35
10307 39 C 48.1943 30.8017 19.2461 -0.00208429 0.00194768 0.000969766 35
10308 40 C 48.2561 30.877 17.8486 -0.00190959 0.00397344 -0.00495998 35
10309 41 C 47.1301 30.9494 17.0526 -0.00174494 -0.00348491 0.00387459 35
10310 42 C 45.89 30.7542 17.6438 -0.00836896 0.00491575 -0.000821869 35
10311 43 C 45.7861 30.7255 19.0606 0.00117256 -3.86232e-05 0.000789703 35
10312 44 C 46.9274 30.7387 19.8604 -0.00041124 0.00505611 0.00162812 35
10313 45 C 42.176 33.7761 18.6386 -0.0014477 0.00242154 0.000513409 35
10314 46 C 42.3663 33.7787 17.2286 0.00117292 -0.00118476 0.00305358 35
10315 47 C 43.128 32.8244 16.638 0.00325115 0.0034822 -0.000367818 35
10316 48 C 43.7231 31.7807 17.4154 -0.0027398 0.00492124 -0.00195084 35
10317 49 C 44.5632 30.6131 16.8994 0.00386934 -0.000382092 0.00300208 35
10318 50 C 43.5906 31.7992 18.8277 -0.00400071 0.00310574 -0.00384319 35
10319 51 C 42.8236 32.844 19.4255 0.00374335 -0.00168581 0.00215829 35
10320 52 O 47.2795 31.3743 15.7685 0.00163052 0.00183335 -0.00337055 35
10321 53 O 43.6394 28.1677 15.4155 0.000259441 -0.000623425 0.00100086 35
10322 54 O 43.3147 32.8961 15.2776 0.000374816 -0.00238261 -0.00453477 35
10323 55 C 38.9702 30.655 31.7829 -0.000292489 0.00206867 -4.85629e-05 35
10324 56 C 39.7254 29.3797 31.3898 0.00196096 0.000383177 -0.00164651 35
10325 57 C 47.0802 30.5212 14.6354 -0.00119106 0.00358732 -8.27215e-05 35
10326 58 C 46.7229 31.3728 13.377 -0.00272878 -0.00160408 0.000406993 35
10327 59 C 46.4404 30.5029 12.1316 7.09488e-05 -0.0038913 0.00311303 35
10328 60 C 46.3193 31.2331 10.7967 -0.00070518 -0.000826026 0.00112412 35
10329 61 C 46.1917 30.3385 9.56157 -0.00264819 0.000955491 0.00132681 35
10330 62 C 46.2115 31.0829 8.20054 0.00120022 0.00198894 0.00148704 35
10331 63 C 46.3514 30.2072 6.96198 0.00067678 0.00261076 0.00288794 35
10332 64 C 46.0819 30.8854 5.57004 0.00240273 -0.00247962 -0.00188374 35
10333 65 C 46.0716 29.8094 4.4593 0.00351606 0.00121984 0.00188714 35
10334 66 C 45.6368 30.2229 3.03049 0.00243108 -0.00246419 -0.00334358 35
10335 67 C 46.7119 31.0068 2.27633 0.00381127 -0.000554011 -0.00100395 35
10336 68 C 46.3988 31.2854 0.787893 -0.000748665 0.00160619 0.000872112 35
10337 69 F 41.845 32.865 22.9069 0.00226867 -0.00133628 -0.000884898 35
10338 70 C 44.1993 27.0544 14.7057 -0.00162295 0.00344732 -0.00318575 35
10339 71 C 44.934 27.7352 13.5386 -0.000829414 3.22653e-05 -0.00155531 35
10340 72 C 45.0794 27.0877 12.146 -0.00636617 -0.00387332 -0.000784239 35
10341 73 C 45.4127 25.592 12.1248 -0.00234797 0.000218544 -0.00131568 35
10342 74 C 46.2194 25.1729 10.8742 -0.00235227 0.00315312 0.000955854 35
10343 75 C 45.8925 25.8878 9.54336 -0.0015588 -0.00194623 -0.00120606 35
10344 76 C 46.3549 25.2312 8.20053 -4.697e-05 -0.00338559 0.000830458 35
10345 77 C 46.0224 26.0662 6.96361 -0.00410448 -0.000851717 0.00397748 35
10346 78 C 46.5003 25.3397 5.67238 0.000951249 -0.00249743 -0.00530688 35
10347 79 C 46.3182 26.2611 4.45951 -0.00151461 -0.00288994 -0.000344472 35
10348 80 C 46.9611 25.7243 3.18708 -0.00226949 0.00643204 0.00467236 35
10349 81 C 46.5832 26.5605 1.94964 0.00448237 -0.00401384 0.00142963 35
10350 82 C 42.2475 32.4835 14.4117 -0.00271425 0.000716782 0.00320694 35
10351 83 C 42.8199 31.267 13.6307 -0.000411881 -0.00284854 0.00108477 35
10352 84 C 42.415 31.1272 12.1452 -0.0001046 0.000523294 0.000640589 35
10353 85 C 42.509 32.4276 11.3217 0.00278017 0.00171626 0.00299446 35
10354 86 C 42.2066 32.1801 9.85062 -0.00178177 -0.00366829 -0.00157431 35
10355 87 C 42.7541 33.3244 8.92899 -0.00268152 -0.000147674 -0.000730458 35
10356 88 C 41.9312 33.7079 7.68528 0.00312067 -0.00164067 -0.000342233 35
10357 89 C 41.3504 32.5199 6.8345 0.0012112 -0.00130781 0.00185296 35
10358 90 C 42.3846 31.9608 5.8844 -0.00167233 -4.74777e-05 -0.000634754 35
10359 91 C 42.5948 32.7362 4.54627 0.00365073 0.00231943 -1.25981e-06 35
10360 92 C 41.583 32.2987 3.50193 0.00269023 -0.00157932 -0.00240005 35
10361 93 C 41.5862 33.1659 2.26509 0.000934363 0.000462392 0.00181093 35
10362 94 C 34.6851 30.9935 33.3516 0.00414345 -0.00084586 -8.4571e-05 35
10363 95 C 34.5044 30.7813 34.8393 -0.000282163 -0.000248989 0.00184645 35
10364 96 C 33.0613 30.9832 35.2889 0.0026428 0.00605201 -0.00320766 35
10365 97 C 32.8378 30.6605 36.7982 0.000457711 0.00168511 -1.8605e-05 35
10366 98 C 33.6426 31.4644 37.808 -0.00603498 0.00146144 0.00107963 35
10367 99 C 33.1508 31.5019 39.2798 -0.00166045 -0.0026881 -0.000120222 35
10368 100 C 33.5736 30.2345 40.0889 0.00247457 -0.00100797 0.00419693 35
10369 101 C 32.9641 30.1194 41.5057 0.00187988 0.00121964 -0.00323169 35
10370 102 C 33.6652 30.9265 42.628 -0.000953953 -0.000853394 0.00100468 35
10371 103 C 33.1251 30.6071 44.0391 0.00477973 0.00560307 0.00012876 35
10372 104 C 33.995 31.2334 45.1636 0.0024599 -0.00367176 0.00371867 35
10373 105 C 33.4635 30.9614 46.5803 -0.00169765 0.00118193 -0.000262381 35
10374 106 C 40.79 34.3759 33.6758 -0.00520924 -6.78018e-05 -0.00012575 35
10375 107 C 40.8226 34.6259 35.1899 0.00185854 0.00269333 0.00197778 35
10376 108 C 41.5273 35.952 35.5432 6.57632e-05 -0.00197292 0.00521461 35
10377 109 C 41.3926 36.329 37.0421 0.000732771 -0.00288792 -0.00098199 35
10378 110 C 42.1163 35.3828 38.0165 -0.00196197 0.00100781 -0.00265427 35
10379 111 C 42.0052 35.7407 39.4761 3.98271e-05 0.000625004 0.00296299 35
10380 112 C 40.578 35.5437 40.0566 0.00137806 -0.00319606 0.000782765 35
10381 113 C 40.5608 34.8091 41.4291 -0.000233922 0.00305623 0.00500866 35
10382 114 C 41.1724 35.5569 42.6159 -0.000900567 -0.000943278 0.000985503 35
10383 115 C 40.6122 35.0994 43.9769 -0.00179191 -0.00115508 -0.00396733 35
10384 116 C 41.2456 35.7197 45.2294 -0.000705232 0.00216778 -0.00138824 35
10385 117 C 40.6218 35.128 46.5142 -0.00213428 -0.000506308 0.00291939 35
10386 118 C 40.5674 27.0446 34.3598 -0.000708426 -0.000269942 0.0045099 35
10387 119 C 40.2462 27.1593 35.8588 -0.00442372 -0.00317762 0.0029706 35
10388 120 C 41.4049 26.5953 36.7233 -0.000758902 -0.00132917 -0.00083619 35
10389 121 C 41.0763 26.7397 38.2178 0.00465064 -0.000648836 0.00169526 35
10390 122 C 42.211 26.099 39.0406 0.000131209 0.00351193 -0.0037344 35
10391 123 C 42.149 26.2685 40.5555 0.000388746 0.00156904 0.0020838 35
10392 124 C 40.9379 25.5473 41.21 0.0019433 0.00192598 -0.00435634 35
10393 125 C 41.0881 25.367 42.7499 -0.000547734 0.00501974 -0.000670178 35
10394 126 C 41.4522 26.6874 43.4936 -0.00116019 -0.00326402 0.00222306 35
10395 127 C 41.2397 26.5803 45.0629 -0.00493462 0.00169273 0.00438612 35
10396 128 C 42.0771 25.5206 45.7151 -0.00171847 0.00091821 -0.00250372 35
10397 129 C 41.9912 25.5154 47.2565 0.00289551 0.00196642 -0.00183896 35
10398 130 F 40.1364 32.6229 25.1247 -0.00340216 0.00294169 -0.000771472 35
10399 131 H 41.503 34.7908 31.4068 -0.0131389 0.00269067 0.00322373 35
10400 132 H 41.6096 34.5485 28.9811 0.00646856 -0.00731097 -0.00283832 35
10401 133 H 40.6118 32.6776 27.8816 -0.0238121 0.00309401 0.00124321 35
10402 134 H 34.2296 30.961 30.8857 -0.00164214 0.00538737 -0.000785207 35
10403 135 H 34.6716 30.6861 28.4566 0.00234273 0.0127575 0.00137265 35
10404 136 H 36.944 30.4297 27.6196 0.0050659 -0.0123676 0.000862764 35
10405 137 H 41.2762 26.4089 32.1527 0.0102624 -0.000372891 -0.00917723 35
10406 138 H 41.5106 26.3807 29.6061 0.0096529 0.00577909 -0.0128997 35
10407 139 H 40.7077 28.1446 28.3165 -0.00655974 0.00634114 0.000716964 35
10408 140 H 43.3474 28.6929 23.7556 -0.00437298 -0.00130597 -0.00811912 35
10409 141 H 41.7445 28.4789 25.7062 -0.0247441 -0.00305141 0.00174408 35
10410 142 H 42.1963 26.3649 19.3595 0.00658371 -0.00230289 -0.000151237 35
10411 143 H 42.5712 26.2904 16.8664 -0.00537126 0.00457938 -0.00360144 35
10412 144 H 42.965 28.3179 20.6361 0.0103872 0.0121743 0.00163449 35
10413 145 H 49.0919 30.793 19.8573 -0.00306133 -0.00129403 0.00236211 35
10414 146 H 49.2213 30.9767 17.3609 -0.00275762 -0.0126926 -0.0100406 35
10415 147 H 46.8453 30.6966 20.9425 0.0106537 -0.00450486 0.0020965 35
10416 148 H 41.5914 34.5641 19.1042 0.0136417 0.0059902 0.0134067 35
10417 149 H 41.9025 34.5785 16.659 0.00984441 0.00912434 0.0104202 35
10418 150 H 44.5649 30.6432 15.8028 0.00417794 0.0157083 0.00342468 35
10419 151 H 42.5785 32.8633 20.4833 -0.00904138 -0.0105073 -0.000612035 35
10420 152 H 38.8254 30.8354 32.8552 0.0137422 -0.00202 0.00252153 35
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10422 154 H 46.2912 29.8031 14.891 0.00503943 0.00055762 0.0107067 35
10423 155 H 47.561 32.0564 13.1935 0.00700496 -0.0127801 0.00318802 35
10424 156 H 45.8586 32.0152 13.5861 0.000746765 0.00646451 -0.0100081 35
10425 157 H 45.5273 29.9131 12.2796 -0.00115903 -0.00500647 -0.00896714 35
10426 158 H 47.2208 29.7349 12.0643 -0.00490812 -0.00965148 0.010886 35
10427 159 H 47.1309 31.9643 10.6968 -0.000551871 -0.00251443 -0.00984322 35
10428 160 H 45.4102 31.8396 10.8926 0.000863418 0.0029696 -0.00813217 35
10429 161 H 45.3285 29.6637 9.6162 -0.00980626 0.0109772 0.0115553 35
10430 162 H 47.0688 29.6799 9.5782 0.00640104 0.013131 0.00652081 35
10431 163 H 46.9477 31.8937 8.13802 0.00657942 -0.00344979 -0.00572792 35
10432 164 H 45.229 31.5685 8.15392 -0.00568931 -0.0122841 -0.00193448 35
10433 165 H 45.6295 29.3855 7.04574 0.000596612 0.00439561 0.0194832 35
10434 166 H 47.36 29.7757 6.97088 0.000567978 0.00253948 0.0118424 35
10435 167 H 46.8375 31.6513 5.35639 0.00290746 -0.00380864 -0.00486305 35
10436 168 H 45.0906 31.3545 5.54311 0.00645605 0.00615496 -0.000219241 35
10437 169 H 45.4317 28.988 4.80481 0.000533477 -0.00040335 -0.00752188 35
10438 170 H 47.108 29.452 4.41885 0.0100773 0.0206083 -0.00210499 35
10439 171 H 44.7557 30.8743 3.08247 9.47737e-05 -0.00607843 0.00220777 35
10440 172 H 45.3733 29.3106 2.48121 -0.00686173 -0.00380654 0.00333051 35
10441 173 H 47.6343 30.4139 2.31114 0.00237883 -0.00252981 0.00334156 35
10442 174 H 46.85 31.9608 2.79999 -0.00185652 0.00426379 -0.00828423 35
10443 175 H 45.4496 31.8234 0.673486 0.00253499 0.00697564 -0.00108293 35
10444 176 H 46.3115 30.3702 0.189447 -0.00425144 0.00502369 -0.00385727 35
10445 177 H 47.2187 31.8554 0.333506 0.000591828 -0.00108268 -8.98042e-05 35
10446 178 H 44.8779 26.4472 15.3176 -0.00348049 -0.00171516 -0.00623789 35
10447 179 H 43.4093 26.3851 14.3435 0.000223277 0.00262696 -0.00569536 35
10448 180 H 44.3735 28.6423 13.2807 0.000278524 0.00309125 0.00688408 35
10449 181 H 45.9386 28.0233 13.8721 0.00241035 -0.000561485 -0.0107744 35
10450 182 H 44.1657 27.2617 11.5643 -0.0010395 -0.00837792 -0.0104832 35
10451 183 H 45.9102 27.5886 11.6339 -0.0029172 0.00326273 0.0118127 35
10452 184 H 45.9627 25.2453 13.0084 -0.00884492 -0.00339859 0.00131095 35
10453 185 H 44.4492 25.0679 12.1433 0.00425857 -0.011352 0.0149058 35
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10455 187 H 46.0273 24.1058 10.7079 0.000795312 0.00205344 0.0044184 35
10456 188 H 44.8032 25.9383 9.4244 -0.000507451 -0.00865247 -0.0139847 35
10457 189 H 46.3218 26.8944 9.62022 -0.00512621 0.000394365 -0.0121904 35
10458 190 H 47.4325 25.038 8.27061 0.00125009 0.00638308 0.00779944 35
10459 191 H 45.9151 24.2352 8.06668 0.00910804 -0.0068215 -0.00379182 35
10460 192 H 44.9424 26.2357 6.87289 -0.00381826 -0.00292315 -0.0033596 35
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10462 194 H 47.5517 25.0411 5.76658 -0.00298093 -0.0143791 0.000856096 35
10463 195 H 45.8976 24.4441 5.47754 0.00239271 -0.00441225 -0.000923168 35
10464 196 H 45.2504 26.4612 4.3074 -0.00124587 -0.00815572 -0.00905315 35
10465 197 H 46.7334 27.2409 4.72637 0.0154339 -0.00922218 -0.00359058 35
10466 198 H 48.046 25.6518 3.33305 -0.00312037 -0.00740283 0.00428959 35
10467 199 H 46.6862 24.6899 2.94668 0.00160642 0.0080333 -0.00676356 35
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10472 204 H 42.0118 33.2847 13.7004 0.00740907 0.00906502 0.00927421 35
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10474 206 H 42.5143 30.3295 14.1114 -0.00101164 0.00553964 0.0170048 35
10475 207 H 43.1069 30.4437 11.6378 0.000905721 0.00149501 0.000709358 35
10476 208 H 41.4376 30.6539 11.9902 0.00441864 -0.0132089 0.0140831 35
10477 209 H 41.7877 33.1605 11.7039 0.00489585 0.00325679 0.00403888 35
10478 210 H 43.4897 32.9119 11.4065 0.00215817 0.00322323 0.00162537 35
10479 211 H 42.7281 31.2945 9.46692 -0.00630106 -0.0109619 0.00920055 35
10480 212 H 41.1318 31.9925 9.73627 -0.000945822 -0.0085873 -0.00134194 35
10481 213 H 42.8803 34.193 9.58707 0.000221302 -0.00324207 0.00280664 35
10482 214 H 43.7322 32.9703 8.58054 -0.00341936 -0.0037925 0.000876455 35
10483 215 H 41.0816 34.3355 7.98116 -0.0121614 -0.020422 -0.00429008 35
10484 216 H 42.62 34.331 7.10158 0.00352887 -0.00543705 -0.00390698 35
10485 217 H 41.0214 31.6757 7.45286 0.0143839 -0.00999624 -0.00296738 35
10486 218 H 40.48 32.9065 6.29012 0.0104902 0.0103629 -0.00471361 35
10487 219 H 43.3134 31.8782 6.46228 0.00774615 -0.00413623 -0.0163727 35
10488 220 H 42.0742 30.928 5.68329 0.000279648 -0.00238677 0.00832579 35
10489 221 H 42.4982 33.8123 4.73619 -0.00294997 0.00270585 -0.00553722 35
10490 222 H 43.5979 32.5024 4.16864 0.00290393 -0.00372402 0.00173811 35
10491 223 H 41.7651 31.2473 3.24724 0.0116479 0.00152716 -0.0087605 35
10492 224 H 40.5723 32.3383 3.92654 0.0112031 -0.00999564 0.0186333 35
10493 225 H 41.493 34.2081 2.59481 -0.00358721 0.00137036 -0.00236758 35
10494 226 H 42.5265 33.0533 1.71137 -0.00930971 -0.008596 -0.0137485 35
10495 227 H 40.7715 32.8908 1.5839 -0.000840531 0.0069521 0.00131498 35
10496 228 H 34.3833 32.0062 33.0568 -0.00030174 -0.00235972 -0.000730246 35
10497 229 H 34.0253 30.2945 32.8228 0.00595378 -0.00335834 0.000982675 35
10498 230 H 34.8555 29.7913 35.1557 -0.0051788 -0.00372183 -0.0035874 35
10499 231 H 35.0378 31.5685 35.3862 -0.00508045 0.000193004 0.00591373 35
10500 232 H 32.7731 32.0251 35.1023 -0.0120409 0.00311521 0.0031151 35
10501 233 H 32.3871 30.328 34.7236 0.0116576 0.000485295 -0.00750583 35
10502 234 H 31.7637 30.7221 37.0125 -0.000516181 -0.0109862 -0.00120048 35
10503 235 H 33.1006 29.6112 36.9806 0.00648722 0.000276677 -0.0167592 35
10504 236 H 34.6436 31.0158 37.7988 -0.00779652 -0.00277462 0.0158718 35
10505 237 H 33.7331 32.4902 37.4301 0.0015172 0.000379661 -5.37345e-05 35
10506 238 H 33.5003 32.4197 39.7685 -0.0040617 -0.00151066 -0.000610577 35
10507 239 H 32.0586 31.5598 39.1954 -0.002501 -0.0133191 0.00351959 35
10508 240 H 33.2811 29.3551 39.502 -0.00207015 -0.00122469 0.0067905 35
10509 241 H 34.6617 30.1709 40.2131 0.00220481 0.0137952 0.0141957 35
10510 242 H 31.8946 30.3632 41.4974 0.00076847 -0.00434507 -0.022211 35
10511 243 H 33.0215 29.0581 41.7771 -0.0127048 0.0035945 0.00912263 35
10512 244 H 34.7465 30.7429 42.6482 0.00185514 0.0149433 -0.00490426 35
10513 245 H 33.6006 32.0043 42.434 0.000945585 3.03505e-05 0.00525993 35
10514 246 H 32.1343 31.076 44.0821 -0.00188488 -0.00809128 -0.00466955 35
10515 247 H 33.0201 29.5223 44.1637 -0.011699 0.00757077 0.00338 35
10516 248 H 35.0297 30.8722 45.1138 0.00547885 0.00602792 -0.00396866 35
10517 249 H 34.0593 32.3032 44.9293 0.0114691 -0.00465764 0.00166018 35
10518 250 H 32.4606 31.3934 46.6846 -0.000702911 0.00196014 0.00601669 35
10519 251 H 33.4082 29.8939 46.8271 -0.0137836 -0.00254466 -0.0191382 35
10520 252 H 34.1811 31.4483 47.2521 0.00222012 -0.00186363 -0.00222541 35
10521 253 H 41.8348 34.4418 33.3479 -0.00210884 0.0123325 0.0122585 35
10522 254 H 40.3049 35.2311 33.1892 0.00829506 0.0153921 0.0135306 35
10523 255 H 39.7666 34.6649 35.4843 8.97347e-05 0.00207836 -0.00424494 35
10524 256 H 41.2546 33.7849 35.7463 0.000644847 0.000708116 -8.07165e-05 35
10525 257 H 42.5857 35.8991 35.2596 -0.00435716 -0.00541196 -0.0106772 35
10526 258 H 41.1222 36.7847 34.9551 -0.00783292 -0.0106494 -0.00160743 35
10527 259 H 41.7374 37.3686 37.1043 0.0144148 -0.0072167 -0.00464137 35
10528 260 H 40.3292 36.3261 37.3117 0.000611616 -0.0043033 -0.00147169 35
10529 261 H 41.7982 34.3624 37.7693 0.00365938 0.00261976 -0.0167185 35
10530 262 H 43.173 35.4338 37.7263 0.000253703 0.00186785 0.00561174 35
10531 263 H 42.7294 35.131 40.0303 0.00694385 0.00919489 0.003346 35
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10533 265 H 40.0938 36.523 40.1555 -0.00212618 -0.00440076 -0.00447102 35
10534 266 H 40.0286 34.9201 39.3405 0.00431356 -0.0033817 -0.0013151 35
10535 267 H 39.4773 34.7102 41.5687 -0.000299399 -0.00795153 -0.00319209 35
10536 268 H 40.9964 33.805 41.3544 0.0125004 0.00957871 -0.00843801 35
10537 269 H 42.2652 35.4635 42.6391 -0.00041023 0.00519949 0.00270876 35
10538 270 H 40.8946 36.6107 42.4902 -0.0098504 -0.00465565 -0.0105022 35
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10540 272 H 40.6965 34.0056 43.9829 0.00330204 -0.000698425 0.00450957 35
10541 273 H 42.3316 35.5653 45.2136 -0.000676437 0.00193955 0.00297912 35
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10544 276 H 40.9294 34.0814 46.6299 -0.0134713 -0.00448117 -0.00304277 35
10545 277 H 41.0113 35.5981 47.4257 -0.000949619 -0.000448873 0.00238406 35
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10548 280 H 39.295 26.6906 36.1394 -0.00911223 0.0115619 0.0117722 35
10549 281 H 40.167 28.2346 36.0607 -0.00512009 -0.00105964 -0.00846875 35
10550 282 H 42.3351 27.1444 36.5315 -0.00419165 -0.00139892 -0.0176272 35
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10552 284 H 40.0925 26.3058 38.4352 0.00502173 0.00154003 0.00774241 35
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10554 286 H 43.1956 26.435 38.6925 0.000822794 -0.0136608 -0.0184003 35
10555 287 H 42.2052 25.0313 38.7888 -0.00188359 0.00236115 0.00121123 35
10556 288 H 42.0847 27.3404 40.78 -0.00685777 0.00424958 -0.0127167 35
10557 289 H 43.0782 25.8526 40.9641 0.00393467 0.002744 -0.00477689 35
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10563 295 H 42.4831 26.9748 43.2527 0.00182963 0.00546433 0.0254554 35
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10565 297 H 41.4459 27.5723 45.4834 0.0174887 -0.00552785 0.0103741 35
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10572 2 C 45.1302 40.6344 30.0767 0.00193094 0.00148288 -0.00477014 36
10573 3 C 44.6492 39.6088 29.2459 -0.00251663 -0.00244595 -1.86416e-05 36
10574 4 C 43.8885 38.5518 29.7887 -0.00167163 0.00346381 -0.000364247 36
10575 5 C 43.6356 38.5206 31.1853 0.00082805 0.00532073 0.00416248 36
10576 6 C 44.0292 39.5874 31.9933 0.000922762 -0.00150426 0.00675667 36
10577 7 C 39.2775 37.3036 30.1448 0.00234286 -0.0047891 0.00395274 36
10578 8 C 39.5474 37.2298 28.7808 0.000638107 0.00100528 -0.00031726 36
10579 9 C 40.8722 37.3083 28.3733 0.00105141 -0.00109177 -0.00153836 36
10580 10 C 41.8804 37.2859 29.3563 -0.00651438 0.00072434 0.000346458 36
10581 11 C 41.5801 37.3227 30.7565 -0.00257483 0.00226087 0.00503781 36
10582 12 C 40.2693 37.4042 31.1305 -0.00207143 -0.000439449 -0.000480556 36
10583 13 C 44.9052 34.0332 31.3809 0.00575208 -0.00109688 -0.000874239 36
10584 14 C 45.1747 34.0565 29.9909 -0.00387365 0.00248616 0.00137128 36
10585 15 C 44.6481 35.0745 29.21 -0.00212444 0.00217804 0.00319754 36
10586 16 C 43.93 36.1102 29.8066 -0.00214498 -0.00111628 0.00308931 36
10587 17 C 43.3712 37.311 29.0592 -0.00349944 -0.00202064 0.000801241 36
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10591 21 C 44.2125 35.0488 32.0219 -0.00128524 -0.00291754 0.0016111 36
10592 22 C 43.7316 37.316 27.6076 -0.00061199 -0.000440629 -0.00234203 36
10593 23 C 44.2125 37.2777 26.5101 0.000657679 -0.000935321 -0.00151594 36
10594 24 C 44.9673 37.3209 25.322 -0.00509006 0.000817119 -0.00336586 36
10595 25 C 45.598 38.5067 24.9345 -0.00493539 -0.00148202 -0.00147225 36
10596 26 C 46.5358 38.4782 23.9186 -0.00264426 -0.000440455 0.00271779 36
10597 27 C 46.9138 37.3113 23.2999 0.000790412 0.00240311 0.00300297 36
10598 28 C 46.3212 36.1045 23.7224 0.00190403 0.00499958 0.00320709 36
10599 29 C 45.3734 36.105 24.752 0.00330081 0.00327274 0.00338764 36
10600 30 C 47.6941 37.2708 22.1014 -0.00175493 -0.00165677 0.00417756 36
10601 31 C 48.1326 37.2654 20.9838 0.00187381 -0.00172025 -0.00396026 36
10602 32 C 46.2649 34.0928 18.6537 0.000733846 -0.00190851 -0.000681118 36
10603 33 C 46.3664 34.1233 17.2546 -0.00141578 -0.00124726 -0.00218362 36
10604 34 C 47.1836 35.0714 16.645 0.00151161 0.00117854 0.00246412 36
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10606 36 C 47.6794 36.0583 18.8273 -0.000102567 -0.00180476 0.00334661 36
10607 37 C 46.8368 35.0735 19.4733 -0.00224038 0.000842473 -0.00138319 36
10608 38 C 48.359 37.2217 19.5401 0.00127831 -0.0045544 0.000931636 36
10609 39 C 52.2332 37.2705 19.2077 0.000766067 0.00538826 0.00591425 36
10610 40 C 52.3432 37.3252 17.7797 0.00189731 -0.000495575 -0.000344334 36
10611 41 C 51.1925 37.3467 16.9771 -0.0021454 0.00219285 -0.000299993 36
10612 42 C 49.9267 37.3156 17.625 0.00104533 0.00329683 0.00226943 36
10613 43 C 49.7933 37.2554 19.0303 0.00208308 0.00588357 0.000907947 36
10614 44 C 50.9752 37.2779 19.7838 -0.00237241 0.00146205 0.000438262 36
10615 45 C 46.5526 40.6098 18.6652 0.000840742 0.00137045 0.00383566 36
10616 46 C 46.8753 40.6623 17.3065 0.00496489 0.000287702 0.000128551 36
10617 47 C 47.5015 39.5761 16.6375 0.00406274 -0.000154137 0.00183183 36
10618 48 C 47.9035 38.4432 17.4127 0.00257512 -0.000413995 -0.000132897 36
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10620 50 C 47.7064 38.4199 18.8266 -0.00257476 -0.00175915 0.00109846 36
10621 51 C 46.988 39.5008 19.4183 0.000438759 -0.00360839 -0.00359301 36
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10624 54 O 47.708 39.6076 15.273 0.00451396 -0.00128894 0.00203753 36
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10626 56 C 43.7116 36.1098 31.2249 0.00218237 -0.000570615 0.00131905 36
10627 57 C 51.9418 36.2508 14.9823 0.00170824 0.00212502 -0.00141554 36
10628 58 C 51.0312 35.5964 13.8949 0.000539237 -0.000304465 0.000974469 36
10629 59 C 50.4961 36.6005 12.7947 -0.00247646 -0.00122832 0.00200169 36
10630 60 C 50.3123 35.8955 11.4451 -0.000422842 0.00125246 -0.000481082 36
10631 61 C 49.9288 36.8353 10.2799 -0.00179943 0.00216589 0.00293583 36
10632 62 C 50.0053 36.0578 8.94508 0.00141169 0.00102855 -0.00109009 36
10633 63 C 49.6792 36.9365 7.68907 0.00215848 -0.000461037 0.000293611 36
10634 64 C 49.8333 36.0841 6.41863 0.0023805 0.00600815 0.000235143 36
10635 65 C 49.6787 36.9055 5.13421 -0.00183066 -0.000467753 0.00630432 36
10636 66 C 49.6088 35.9943 3.88109 0.00447294 0.00011605 -0.00393373 36
10637 67 C 50.1722 36.587 2.56611 -0.00549024 0.00417207 -0.00027157 36
10638 68 C 49.2496 37.63 1.94499 0.000518662 -0.00428656 0.00115407 36
10639 69 F 47.0968 39.6606 23.5555 0.00392803 0.00184553 -0.00403699 36
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10641 71 C 46.9974 35.1291 12.9914 -0.00411492 -0.00537109 -0.00462278 36
10642 72 C 46.114 34.74 11.7937 0.00143217 -0.00278607 0.00107474 36
10643 73 C 46.8661 34.9147 10.4678 -0.000142549 -0.0014098 0.00121836 36
10644 74 C 45.9556 34.6148 9.26706 -0.00348932 -0.00044292 0.000539778 36
10645 75 C 46.6465 34.9365 7.95034 0.000249551 -0.00378118 -0.000820804 36
10646 76 C 45.7415 34.711 6.75331 0.00282898 0.00146602 -0.00214582 36
10647 77 C 46.4407 35.0475 5.40896 -0.00204122 -0.000474629 0.00576347 36
10648 78 C 45.5933 34.5166 4.24616 -0.00323117 0.00100813 0.00500179 36
10649 79 C 46.1217 34.9491 2.83957 0.00226395 0.00369566 0.000578949 36
10650 80 C 45.0309 34.6667 1.844 0.00381239 0.00238241 -0.00350656 36
10651 81 C 45.4167 35.1062 0.454779 0.00326843 -2.78366e-05 0.000536854 36
10652 82 C 48.8956 40.1779 14.7212 0.00644571 0.00118066 -0.00203572 36
10653 83 C 48.7845 40.0806 13.1815 -0.00338921 0.00111058 -0.00687049 36
10654 84 C 49.7237 40.9894 12.3887 0.00152372 -0.00246217 -0.00181549 36
10655 85 C 49.4858 40.7758 10.8659 -0.000214732 -0.00373033 -4.54251e-05 36
10656 86 C 50.3518 41.6748 9.96868 0.00164085 0.00364233 0.00062269 36
10657 87 C 50.6284 41.2031 8.56666 -0.00211371 0.00264821 -0.00282072 36
10658 88 C 49.4248 40.6956 7.78501 0.00393283 0.000269708 0.00237213 36
10659 89 C 49.7708 40.2809 6.34339 -0.000667402 -0.0001262 4.83465e-05 36
10660 90 C 49.8572 41.4362 5.30924 8.74626e-05 -0.00101945 0.00299983 36
10661 91 C 49.7528 40.936 3.87344 0.00165272 -0.00244552 0.00294727 36
10662 92 C 49.9 42.0963 2.8383 -0.00499579 0.00153157 0.00151418 36
10663 93 C 49.581 41.6266 1.40635 -0.00179977 0.00261924 -0.0018209 36
10664 94 C 38.5826 37.4078 32.9642 0.00436117 0.00266194 0.00339015 36
10665 95 C 38.4491 37.3555 34.4981 0.00381101 -0.000273148 0.00129674 36
10666 96 C 37.0206 37.6839 35.0346 -0.00226909 -0.00138529 0.00456966 36
10667 97 C 36.9937 38.0258 36.545 -0.00291794 0.00550742 -0.000274322 36
10668 98 C 37.3621 36.8749 37.4898 -0.000664458 0.00058158 -0.000287148 36
10669 99 C 37.8356 37.2992 38.8711 0.00351152 0.000963733 0.0016417 36
10670 100 C 36.8399 38.1911 39.6162 0.00338753 0.000773863 -0.00448778 36
10671 101 C 36.8639 38.2131 41.1656 0.000441277 0.00325987 -0.000428241 36
10672 102 C 38.244 37.945 41.7958 0.00188937 -0.00209552 0.000203614 36
10673 103 C 38.3292 38.3735 43.2628 -0.00226443 -0.000591308 -0.00454656 36
10674 104 C 37.4763 37.5389 44.2419 0.00476278 0.000749943 0.000175196 36
10675 105 C 37.8739 37.7617 45.7101 -0.000483642 -0.00029043 0.0041546 36
10676 106 C 43.5767 40.8369 33.9791 0.00105863 0.0029423 -0.000137607 36
10677 107 C 44.7747 41.1381 34.9174 0.000707876 0.00271089 -0.000915853 36
10678 108 C 44.3534 41.9378 36.1403 -0.00115544 -0.00276784 -0.000790328 36
10679 109 C 45.3387 41.9272 37.311 0.000513078 0.00145228 0.00608818 36
10680 110 C 44.6014 42.0175 38.6816 -0.00199788 -0.000300275 4.1385e-05 36
10681 111 C 45.5419 42.0564 39.9132 -0.000864984 -0.00121775 0.000232689 36
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10683 113 C 45.7109 42.2612 42.4025 0.00595939 -0.00076083 0.00256309 36
10684 114 C 44.9632 42.1703 43.7181 0.0017304 0.000464154 -0.000589661 36
10685 115 C 45.9052 42.1914 44.9587 -0.00132674 -0.00158781 0.00183152 36
10686 116 C 45.3187 41.7329 46.3441 -0.00299204 -0.000836458 -0.0011009 36
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10688 118 C 44.4815 33.8485 34.1345 -0.00220707 -0.0010012 0.00354873 36
10689 119 C 44.4561 33.9682 35.6815 -0.00523149 0.00252601 0.00221163 36
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10691 121 C 45.7376 33.3009 37.8814 0.00100162 -0.00226625 0.000617046 36
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10693 123 C 45.4318 33.1663 40.4049 -0.000856446 0.00171857 0.00148917 36
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10695 125 C 45.146 33.1043 43.0292 -0.00457679 0.00204338 0.00190803 36
10696 126 C 44.1696 32.6526 44.1326 0.00332312 -0.000308684 0.0012247 36
10697 127 C 44.752 32.6208 45.5773 0.00259086 0.00201475 -0.00311759 36
10698 128 C 45.0443 34.0272 46.1326 -0.00315765 0.00117923 0.000558268 36
10699 129 C 45.767 33.9519 47.476 0.00179608 0.000744996 0.00585142 36
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10705 135 H 38.7576 37.1812 28.0369 -0.0142783 -0.00436256 0.0158985 36
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10711 141 H 44.9584 35.1734 25.1252 0.00812805 0.00202513 0.00564626 36
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10727 157 H 51.1181 37.5019 12.7316 -0.00654925 0.00215674 0.00995129 36
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10729 159 H 49.5835 35.0848 11.5671 0.00287808 -6.60259e-05 0.0105677 36
10730 160 H 51.2644 35.4042 11.2095 0.0032081 0.0137697 -0.0118909 36
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10734 164 H 50.9952 35.5948 8.85034 2.64656e-05 0.000437111 -0.012672 36
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10736 166 H 48.6532 37.312 7.78718 0.00168931 -0.00419321 0.00980724 36
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10741 171 H 48.6386 35.5004 3.74594 0.00395948 -0.00622034 0.0227509 36
10742 172 H 50.2536 35.1397 4.1204 -0.00263066 -0.000407135 0.0133328 36
10743 173 H 50.3643 35.812 1.81382 0.0095408 0.00116717 0.00666504 36
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11523 47 C 6.6543 4.50052 64.9456 0.000278541 5.65239e-05 0.000137629 39
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11959 181 H 9.03568 5.35966 62.0561 0.00312118 0.00202375 0.0107051 40
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11976 198 H 7.79638 6.59922 50.2201 0.00610867 0.00277152 0.0123402 40
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11978 200 H 6.53513 4.79507 49.3657 -4.2253e-05 0.0122397 0.00783315 40
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11980 202 H 8.03163 3.80751 49.0607 0.000448255 -0.00268482 -0.0076985 40
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11983 205 H 12.7116 11.1946 60.5762 0.00704744 -0.00446484 0.00546493 40
11984 206 H 11.569 12.4717 60.9433 0.00234867 0.00147436 -0.0154218 40
11985 207 H 13.592 14.0801 61.2511 0.0028273 0.0011198 0.00719796 40
11986 208 H 14.5866 12.8103 60.5028 0.00186659 0.0105744 -0.019387 40
11987 209 H 12.2286 14.1542 59.1838 -0.00146193 -0.00598968 0.00213618 40
11988 210 H 13.9288 14.5072 58.8114 0.00217023 0.00247071 0.00508452 40
11989 211 H 14.2643 12.2454 57.9595 -0.00617871 -0.00966522 -0.00806144 40
11990 212 H 12.5625 11.8233 58.3893 -0.00689261 -0.000574435 0.00211485 40
11991 213 H 11.7035 13.5225 56.8309 -0.00628443 -0.00500216 -0.00579089 40
11992 214 H 13.3405 14.1211 56.4941 0.0222084 -0.0181945 -0.00338888 40
11993 215 H 12.4334 11.1977 55.8836 -0.00152876 -0.00131937 0.00184087 40
11994 216 H 11.9174 12.5676 54.8898 0.00728884 0.00717195 -0.0112889 40
11995 217 H 14.8215 12.5007 55.4795 -0.00128675 0.00225379 -1.03413e-05 40
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11997 219 H 13.6839 14.0216 53.7009 -0.00118135 0.00127756 -0.00108866 40
11998 220 H 15.0448 13.0024 53.1173 0.00701852 0.00028741 0.0187137 40
11999 221 H 13.535 11.3331 52.2291 0.0127877 0.00505079 0.00515275 40
12000 222 H 12.0992 12.2135 52.7137 0.0106968 0.000108368 0.0169791 40
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12002 224 H 12.6153 14.0632 51.1832 0.0158001 0.00337661 0.00317623 40
12003 225 H 15.2444 13.5694 50.9081 0.0168599 -0.0228086 -0.00799957 40
12004 226 H 14.6975 12.1021 50.0148 0.00347071 0.00019473 -0.00780915 40
12005 227 H 14.3958 13.7097 49.3863 0.0068913 -0.017034 -0.00986998 40
12006 228 H 9.67233 13.5364 81.6923 0.000314814 -0.00137809 -0.0180027 40
12007 229 H 9.03818 11.9156 81.3466 0.00370826 0.00158364 -0.00312942 40
12008 230 H 9.63824 11.0139 83.3942 -0.0113609 -0.00521702 0.0223409 40
12009 231 H 10.3587 12.5798 83.9564 0.00709278 0.00385169 -0.0124869 40
12010 232 H 7.98792 13.5084 83.9121 0.0162868 0.00407743 0.00868945 40
12011 233 H 7.39201 11.9225 83.2752 0.00862648 -0.000978033 -0.0105004 40
12012 234 H 6.81247 12.0817 85.4556 -0.00210717 -0.00351704 -0.00216768 40
12013 235 H 8.04952 10.8743 85.412 0.00665062 0.00500746 0.00722284 40
12014 236 H 9.72542 12.6162 86.293 0.0032077 0.00498068 0.00185684 40
12015 237 H 8.34998 13.7114 86.5939 -0.00397188 -0.000188206 -0.0172583 40
12016 238 H 7.30692 11.7486 87.841 0.00434955 -0.00189895 0.00412466 40
12017 239 H 8.87205 10.8787 87.6747 0.00171915 -0.00220795 -0.00129721 40
12018 240 H 9.96348 12.4119 89.1082 -3.28668e-05 0.000346396 -0.0124729 40
12019 241 H 8.59766 13.5582 89.071 0.000126465 -0.00204534 -0.00115902 40
12020 242 H 7.06773 11.9617 90.1031 0.00287371 -0.0111894 -0.00914958 40
12021 243 H 8.34934 10.7788 90.3391 -0.00762953 -0.000883364 -0.0134025 40
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12023 245 H 7.63706 12.2732 92.3188 0.0116661 -0.0123725 0.00713736 40
12024 246 H 9.97799 11.1301 91.9929 -0.00213106 -0.00293764 -0.000589837 40
12025 247 H 10.5755 12.731 91.5166 -0.00534708 0.018964 0.00495329 40
12026 248 H 11.0274 12.6274 93.9244 0.000982364 -0.000632901 0.00471733 40
12027 249 H 9.67844 13.6611 93.7483 0.0139209 0.00217029 0.00798317 40
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12029 251 H 9.25142 12.0532 95.6038 0.0142657 -0.0113214 0.000911952 40
12030 252 H 8.11953 11.8013 94.2953 -0.00585782 -0.010685 0.00424482 40
12031 253 H 14.7919 16.0252 82.0112 0.00246035 0.00335238 0.0112123 40
12032 254 H 14.9532 15.0899 83.5382 0.00133487 -0.00216625 0.00527223 40
12033 255 H 17.5317 15.0104 83.0752 -0.010357 -0.00932192 0.00614037 40
12034 256 H 17.1741 16.3405 81.932 0.0013408 0.00207617 0.00203832 40
12035 257 H 18.0689 17.0347 84.079 -0.00526856 0.0115903 -0.00831156 40
12036 258 H 16.4954 17.7611 83.7491 0.0170899 0.00341129 -0.00639794 40
12037 259 H 15.3727 16.3494 85.318 0.0038443 -0.000105754 0.0147521 40
12038 260 H 16.6977 15.1785 85.3918 0.010772 0.00365513 -0.00594512 40
12039 261 H 18.2109 16.8504 86.5148 -0.00354278 0.000605601 -0.00851601 40
12040 262 H 16.892 18.0583 86.4173 -0.0161467 -0.0015636 0.00972539 40
12041 263 H 15.5538 16.69 87.984 0.0022726 0.00539122 0.0178282 40
12042 264 H 16.6008 15.3219 87.8463 -0.00137298 0.00535745 0.00376047 40
12043 265 H 18.4317 16.6981 88.8419 0.00448369 0.00714819 3.0575e-05 40
12044 266 H 17.3417 18.08 88.9654 -0.00757728 -0.0020092 0.00677237 40
12045 267 H 15.8442 16.9844 90.5293 -0.00160815 -0.00513057 0.0069816 40
12046 268 H 16.6595 15.4307 90.3145 0.00546871 -0.0039195 0.00764584 40
12047 269 H 18.7867 16.4331 91.2238 0.00230305 -0.00318175 0.00201512 40
12048 270 H 17.982 17.9847 91.3625 -0.0120271 0.00183643 -0.0166531 40
12049 271 H 16.4133 17.1495 92.9422 0.0020627 0.00290085 -0.00832085 40
12050 272 H 17.0649 15.5104 92.8233 0.00587994 -0.00404803 0.00157329 40
12051 273 H 19.3145 16.3511 93.6916 -0.00436124 -0.00525903 -0.00807331 40
12052 274 H 18.6742 17.9806 93.7654 0.00296724 0.00147552 0.00762079 40
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12059 281 H 15.0606 9.70873 84.9231 0.00550848 0.000332841 0.0028997 40
12060 282 H 17.3514 8.51564 85.5063 -0.00729137 0.0137175 -0.00883601 40
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12062 284 H 15.0509 7.84773 87.5235 -0.00446994 0.00206473 0.00535549 40
12063 285 H 15.5383 9.58494 87.2496 0.00168664 -0.00339239 0.00630917 40
12064 286 H 17.7553 9.00929 88.0079 -0.00201326 -0.000724718 0.00068033 40
12065 287 H 17.3974 7.26373 88.0317 0.00201212 -0.000973193 0.0032135 40
12066 288 H 15.7196 7.85074 89.9558 -0.00545698 0.000329055 -0.0166365 40
12067 289 H 16.2752 9.49127 89.8726 0.0172551 0.00449938 0.00330774 40
12068 290 H 18.6162 8.7088 90.2147 0.00228947 -0.00614932 -0.00249629 40
12069 291 H 18.0546 7.06941 90.5554 -0.000631807 -0.000868718 -0.00564303 40
12070 292 H 17.5018 9.66895 92.1058 0.00856939 0.000674554 -0.0102628 40
12071 293 H 18.6107 8.38745 92.5688 -0.00597171 0.00314223 0.0105604 40
12072 294 H 16.3952 6.87472 92.3844 -0.00606054 -0.000653133 0.0106776 40
12073 295 H 15.6114 8.32686 92.9155 0.0010306 0.00168882 -0.0105339 40
12074 296 H 18.0976 6.97476 94.2131 -0.00333826 0.00932649 0.00612866 40
12075 297 H 16.4074 6.8668 94.9044 0.0124247 0.00893824 0.021831 40
12076 298 H 16.5439 9.25338 95.4511 0.00502439 0.00684461 0.00481701 40
12077 299 H 18.0866 9.42842 94.6639 -0.00810474 0.00592255 0.00208973 40
12078 300 H 17.6008 7.69681 97.1698 0.00995683 -0.0063386 0.00203938 40
12079 301 H 19.127 7.84247 96.2629 -0.00500739 -0.00498569 -0.0187376 40
12080 302 H 18.4048 9.28562 97.0653 0.00929744 0.00606415 -0.0162985 40
12081 1 C 20.1182 8.41415 79.6886 0.00369446 -0.00138926 0.000195127 41
12082 2 C 20.2965 8.10544 78.3305 0.00549687 0.00118062 0.00542952 41
12083 3 C 19.8011 6.92589 77.7945 -0.000112099 -0.00269029 -0.00169209 41
12084 4 C 19.0892 6.06661 78.6379 0.00392901 0.0031196 0.00123942 41
12085 5 C 18.9238 6.34257 80.0135 0.00146559 -0.00358553 -0.00385355 41
12086 6 C 19.4773 7.50679 80.5826 -0.00547699 0.00187539 0.0010026 41
12087 7 C 14.3701 5.02099 79.7089 -0.00372945 0.0022559 0.00169372 41
12088 8 C 14.5693 4.77147 78.3511 -0.00388953 -0.000491782 0.00283547 41
12089 9 C 15.8696 4.58418 77.8609 -0.00110614 -0.00527883 0.00213274 41
12090 10 C 16.9974 4.82403 78.6703 -0.00617161 -0.000921183 -0.00271735 41
12091 11 C 16.794 5.12054 80.0251 -0.00394124 0.00134329 -0.00125215 41
12092 12 C 15.4987 5.16807 80.5914 -0.00363296 -0.000134911 -0.00171989 41
12093 13 C 20.0645 1.93868 81.1358 -0.00278899 -0.00243936 0.00165071 41
12094 14 C 20.2771 1.66084 79.768 -0.00159726 0.000418159 0.000245123 41
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12203 123 C 20.8456 1.71443 88.9804 -0.00143869 -0.000279761 0.000963366 41
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12207 127 C 21.2391 2.46832 94.0333 -0.00451857 -0.000213035 0.00140482 41
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12433 51 C 19.0335 11.3009 67.8238 0.000676155 0.00230298 0.00256734 42
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12447 65 C 20.6468 7.17598 52.4739 -0.00306239 -0.000352314 -0.00441048 42
12448 66 C 20.5635 8.03901 51.2037 0.00139075 -0.000275298 0.000745819 42
12449 67 C 20.6295 7.2741 49.9048 0.00112376 0.00261096 0.00030012 42
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12463 81 C 16.8445 5.62712 49.2653 -0.00486358 0.000308224 0.00101655 42
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12467 85 C 21.5549 13.4725 59.6963 -0.00246244 0.000152903 -0.00168831 42
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12469 87 C 21.3531 12.9186 57.1866 -0.000885302 0.00135691 0.0006926 42
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12471 89 C 21.2321 12.606 54.6661 0.00249737 -0.0057821 0.00190487 42
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12477 95 C 18.0492 12.4408 84.6403 0.00198385 0.00139947 0.0019422 42
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12481 99 C 16.6 12.3331 89.1862 0.00103365 0.00108654 0.00113642 42
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12508 126 C 25.8508 7.48022 92.4786 0.000931858 -0.00566624 8.52848e-05 42
12509 127 C 25.249 7.8219 93.8405 0.00433401 0.00187112 -0.00330811 42
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12989 3 C 31.2003 14.0237 77.7996 -0.000563205 0.00140613 0.00206145 44
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12993 7 C 26.0995 12.0196 79.844 0.00502982 -0.00086083 0.00285112 44
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12999 13 C 31.9226 8.55596 80.2288 -0.00342378 -0.00302929 -0.000621244 44
13000 14 C 31.9587 8.47708 78.8151 0.000530091 -0.00380673 -0.00155537 44
13001 15 C 31.3541 9.49869 78.0761 0.000297092 0.000641988 -5.07401e-05 44
13002 16 C 30.6522 10.5629 78.7293 0.00286711 0.00197083 0.00419231 44
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13008 22 C 30.0393 11.5463 76.5501 -0.00611776 -0.00677499 0.00185236 44
13009 23 C 29.9325 11.2786 75.3785 0.000198995 0.00391555 -0.00297512 44
13010 24 C 29.6021 10.787 74.1005 -0.000203684 -0.00386499 0.00547136 44
13011 25 C 30.5341 9.97845 73.3915 -0.000710558 0.00152775 0.000760126 44
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13014 28 C 27.9929 10.4905 72.3328 0.00130587 0.000363617 0.0059681 44
13015 29 C 28.3184 10.9992 73.5831 -0.00358939 -0.00231871 0.00399594 44
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13018 32 C 26.0453 5.74528 67.6373 0.000525998 0.0010744 0.00281664 44
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13021 35 C 27.1239 7.70678 65.9064 0.00318829 -0.00271154 0.00076755 44
13022 36 C 27.2702 7.84065 67.3004 0.000558733 -0.00382991 -0.00128249 44
13023 37 C 26.7018 6.86666 68.1782 -0.000218387 -0.00171442 -0.000527181 44
13024 38 C 28.1024 9.05128 67.7509 -3.5127e-06 0.000886418 0.00241255 44
13025 39 C 31.8111 9.09548 66.6087 -0.00211468 -0.00221172 -0.000928737 44
13026 40 C 31.5915 9.07063 65.202 -9.57518e-05 -0.00292825 -0.000831023 44
13027 41 C 30.3213 8.79697 64.6896 -0.000410829 -8.68627e-05 -0.0068339 44
13028 42 C 29.2081 8.81217 65.5517 0.00170255 -0.00258259 -0.00378503 44
13029 43 C 29.4121 8.96175 66.9555 -0.00089348 0.00374723 -0.00120723 44
13030 44 C 30.735 9.01641 67.4926 0.0001761 0.00293889 0.00228776 44
13031 45 C 26.2823 12.3783 67.1008 -0.00169621 -0.00231699 -0.0011074 44
13032 46 C 26.2225 12.3231 65.6742 0.0021466 -0.000188705 -0.001987 44
13033 47 C 26.6988 11.2057 64.9905 -0.00261157 0.000229868 -0.00268615 44
13034 48 C 27.2189 10.1383 65.6974 -0.00217026 0.00345904 -0.0033405 44
13035 49 C 27.7577 8.84215 65.0987 -0.000682759 0.000503608 0.00271855 44
13036 50 C 27.3503 10.2184 67.1356 0.00148747 0.00316113 0.000952987 44
13037 51 C 26.8028 11.333 67.8371 0.001234 0.00439817 0.000202264 44
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13042 56 C 30.5632 10.5827 80.1376 -0.00231542 0.00299238 2.92927e-05 44
13043 57 C 29.711 7.46046 62.824 0.00418512 0.00105623 0.00152587 44
13044 58 C 29.8774 7.40466 61.2875 0.000153495 0.000508618 -0.000913848 44
13045 59 C 29.0312 8.32473 60.4719 0.000932514 -0.00358911 0.00167377 44
13046 60 C 29.0515 7.87276 59.0104 0.00132518 -0.000405603 -0.00236794 44
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13048 62 C 28.5327 7.98483 56.61 0.00224449 -0.00247795 0.00176548 44
13049 63 C 28.4594 8.73793 55.2849 -0.000127957 0.00265122 -0.00192752 44
13050 64 C 28.5247 7.72468 54.1436 0.00605039 0.0021062 -0.00355392 44
13051 65 C 28.3375 8.37975 52.7619 0.0017245 0.00137551 0.000900913 44
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13054 68 C 29.1187 8.63545 49.6464 0.000556118 0.000594329 0.00194299 44
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13057 71 C 25.6623 6.43089 61.7663 0.00238568 -0.000602074 0.00553518 44
13058 72 C 25.1243 7.33943 60.6676 -0.00095071 -0.00421567 0.00149272 44
13059 73 C 24.6467 6.54654 59.3845 0.00283844 0.00462659 -0.000361115 44
13060 74 C 25.8288 6.0213 58.533 0.000351296 0.00294265 -0.00495351 44
13061 75 C 25.2851 5.30674 57.2815 -0.000730647 0.000601163 -0.00339186 44
13062 76 C 24.8507 6.18333 56.0645 0.00294081 -0.000337144 0.000347096 44
13063 77 C 24.4038 5.32296 54.8638 -0.00107678 0.00152883 0.00221178 44
13064 78 C 24.447 6.1322 53.5661 -0.00147664 0.00408437 0.00111932 44
13065 79 C 24.4507 5.17249 52.3502 0.000274979 -0.000624046 0.00185834 44
13066 80 C 24.4814 5.87991 50.9747 -0.00368572 -0.00200164 0.00144719 44
13067 81 C 24.7661 4.95212 49.7804 -0.00399122 -0.000468012 -0.00335391 44
13068 82 C 28.1772 11.459 63.2008 -0.00258424 -0.00321124 0.00217813 44
13069 83 C 28.3069 11.6421 61.6898 -0.00198283 0.000304902 0.00247777 44
13070 84 C 28.1089 13.1038 61.2358 0.000758778 -0.00152599 -0.00373904 44
13071 85 C 28.7165 13.3902 59.8496 -0.00374627 0.0045038 -0.00235668 44
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13074 88 C 27.9721 12.7215 56.0364 -0.00503298 -0.0051423 -0.00335155 44
13075 89 C 28.7177 13.3725 54.8122 -0.000937647 0.00512549 0.00737864 44
13076 90 C 28.0001 13.2422 53.4637 0.0011481 0.00423555 -0.000721022 44
13077 91 C 28.1328 11.8591 52.7738 0.00212686 -0.000289557 0.00236179 44
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13079 93 C 28.7848 12.3607 50.3229 0.00264306 -0.00596503 0.000747795 44
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13081 95 C 25.823 12.172 84.1118 0.00582863 0.000350286 0.00218623 44
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13083 97 C 24.4899 11.6399 86.23 0.00214701 0.00194684 0.00326267 44
13084 98 C 24.9779 12.4957 87.4529 0.00132279 -0.00150073 -0.00363025 44
13085 99 C 24.5386 11.8802 88.7924 0.00195725 0.00190385 0.00420908 44
13086 100 C 24.7349 12.7875 90.0443 0.00334849 -0.00465332 0.00159452 44
13087 101 C 26.1566 12.8411 90.5774 0.00351625 -0.00413893 -0.00171259 44
13088 102 C 26.3123 13.0491 92.1354 0.000692689 -0.000146783 0.00305966 44
13089 103 C 25.7461 11.8339 92.9156 0.00185575 0.00241892 -0.00313245 44
13090 104 C 26.2134 11.8225 94.3814 0.00476282 0.00013512 -0.00108584 44
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13095 109 C 32.3709 16.0874 85.6574 -0.00454607 -0.00143034 -0.00180297 44
13096 110 C 32.7605 16.7381 87.0372 -0.000213557 -0.00142465 0.000398316 44
13097 111 C 34.1677 16.4049 87.5728 -0.00140288 -0.00440059 0.0019638 44
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13101 115 C 33.3191 16.5133 92.7615 0.000469443 -0.00265308 -0.000284707 44
13102 116 C 34.054 16.7897 94.1086 0.000945373 -0.00254342 0.000298329 44
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13105 119 C 31.2126 8.35173 84.4517 -0.00235231 -0.00114796 -0.00226208 44
13106 120 C 32.2385 7.72314 85.4131 0.000678623 0.00343674 0.000818892 44
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13108 122 C 32.6109 7.0601 87.8888 -0.00162781 -0.00194042 0.00695673 44
13109 123 C 32.3957 8.31833 88.7011 0.00423839 -0.00220585 -0.00409863 44
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13112 126 C 32.2316 7.95954 92.5464 0.00266652 0.00468003 -0.000473547 44
13113 127 C 33.1126 7.26206 93.5547 0.00180294 0.00379648 0.00375245 44
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13256 270 H 34.2569 18.0114 91.5937 0.0122345 0.00181234 0.001445 44
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13274 288 H 31.8881 9.11862 88.1486 0.00503714 0.00627956 0.00739842 44
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13290 2 C 35.9969 8.0918 78.2835 -0.000988138 -0.00181682 -0.00278841 45
13291 3 C 35.46 6.97112 77.6692 -0.00293426 0.00176394 0.00146442 45
13292 4 C 34.7796 6.03823 78.4245 -0.00103238 -0.00245999 0.00156088 45
13293 5 C 34.6386 6.21403 79.8435 0.000451593 0.00118098 -3.62258e-05 45
13294 6 C 35.1695 7.35681 80.4591 -0.000855999 -0.00367354 -0.000538378 45
13295 7 C 30.1375 5.19622 79.6732 -0.00090018 -0.00317407 0.00686578 45
13296 8 C 30.2063 5.20119 78.2827 0.00389276 -1.27035e-05 -0.0027891 45
13297 9 C 31.4434 5.15538 77.6798 0.00048066 0.00390064 8.89373e-05 45
13298 10 C 32.6263 4.99391 78.4483 0.0005663 -0.0025051 -0.00270369 45
13299 11 C 32.5464 5.05551 79.8846 0.0010695 -0.00297136 0.00203286 45
13300 12 C 31.2733 5.15176 80.4788 0.00225216 -0.00209836 -0.00325212 45
13301 13 C 35.7044 1.60779 80.1986 0.00308193 8.04862e-06 0.00575657 45
13302 14 C 35.7633 1.53195 78.8128 -0.00258422 0.000728108 0.00208291 45
13303 15 C 35.2018 2.548 78.0323 0.00320321 0.00229324 0.00381903 45
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13305 17 C 34.0206 4.82855 77.9156 -0.0025279 -0.000575377 0.00289874 45
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13311 23 C 33.932 4.34641 75.2911 -0.00325028 0.00192942 0.00255329 45
13312 24 C 33.4918 3.96145 74.0014 0.00114295 -0.00143669 -0.00242568 45
13313 25 C 33.319 4.90294 72.9491 0.00607781 0.00267224 0.00274385 45
13314 26 C 32.9459 4.4673 71.6556 -0.00015347 0.000709922 0.00231561 45
13315 27 C 32.5444 3.12986 71.4704 -0.00109731 0.00486787 0.00136386 45
13316 28 C 32.6841 2.19396 72.5355 -0.000941492 0.00112323 -0.00341398 45
13317 29 C 33.2056 2.60492 73.7725 0.000198058 0.000448264 0.00644835 45
13318 30 C 32.165 2.64088 70.1544 8.97379e-05 0.00258415 0.000463465 45
13319 31 C 31.9996 2.39813 68.9727 0.00219557 0.001332 -0.00345088 45
13320 32 C 29.9587 -1.08635 67.0183 -0.00318228 -0.00322929 -0.00635668 45
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13324 36 C 31.1995 1.00467 66.9979 -0.00507942 0.00189617 -0.00116385 45
13325 37 C 30.5361 -0.00125379 67.7063 -0.00149005 -0.000439333 -0.00308394 45
13326 38 C 31.9239 2.24417 67.531 6.683e-06 0.00439785 0.0048421 45
13327 39 C 35.7027 2.29398 66.7927 -0.000391233 -0.00092245 0.00128114 45
13328 40 C 35.6776 2.24531 65.3906 0.00391855 -0.00321409 -0.00028631 45
13329 41 C 34.4357 2.13752 64.7358 -0.00290547 0.00249405 0.00130756 45
13330 42 C 33.2505 2.15208 65.4665 0.00603191 -0.00286891 0.000793449 45
13331 43 C 33.2835 2.24639 66.8777 -0.000474804 0.0027468 -0.000255542 45
13332 44 C 34.5317 2.36965 67.5314 0.00339027 -0.00057202 0.00245059 45
13333 45 C 29.7519 5.37479 66.7669 -0.00324896 -0.0031642 -0.00499405 45
13334 46 C 29.6341 5.25895 65.3605 0.00222031 0.00611704 0.00119348 45
13335 47 C 30.334 4.24752 64.7149 0.00157457 0.00195101 -0.00184589 45
13336 48 C 31.0863 3.33757 65.4681 -0.00544715 0.00400035 0.00010256 45
13337 49 C 31.8412 2.13609 64.8891 -0.00211509 -0.00040318 0.00310286 45
13338 50 C 31.179 3.41844 66.871 0.000235983 -0.00208741 0.000646374 45
13339 51 C 30.497 4.44964 67.5334 0.00346909 0.000792641 -0.000643612 45
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13345 57 C 35.0319 1.12962 62.5813 0.00571506 0.000105053 0.00554415 45
13346 58 C 35.1455 1.64448 61.1542 -0.00376814 -0.00326636 0.00532387 45
13347 59 C 33.8654 1.48601 60.313 0.000487621 0.00128654 0.0023962 45
13348 60 C 34.1183 2.04932 58.8749 0.00265044 0.00202657 -0.00227151 45
13349 61 C 33.1602 1.56736 57.812 0.00254939 -0.00133023 0.00440573 45
13350 62 C 33.4857 2.19363 56.4425 -0.000110807 0.00406488 -0.00175937 45
13351 63 C 32.6844 1.42902 55.3911 -0.00205874 0.00218827 0.00779195 45
13352 64 C 32.6764 2.06827 54.0156 -0.00367918 0.00367857 0.00277565 45
13353 65 C 31.6761 1.25593 53.1021 0.000137788 0.00201289 0.00146519 45
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13355 67 C 32.7032 1.32715 50.7466 -0.00159019 -0.000170127 0.000548823 45
13356 68 C 32.4665 1.84275 49.3066 -0.00237072 -0.00310786 -0.000456941 45
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13362 74 C 31.4168 -1.88185 57.664 -0.00182241 -0.000883793 -0.00218841 45
13363 75 C 32.027 -2.8545 56.6374 0.00435063 0.0014671 -0.0020068 45
13364 76 C 31.6689 -2.47354 55.2024 -5.33415e-05 0.00335324 0.0014217 45
13365 77 C 32.2983 -3.3134 54.0958 -0.00202787 0.000352143 -0.000555977 45
13366 78 C 32.0323 -2.82104 52.6626 0.00390564 -0.00306048 -0.000108589 45
13367 79 C 32.6923 -3.70596 51.606 0.00163512 0.00417647 -0.00779532 45
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13370 82 C 29.2505 3.42841 62.6711 0.000376988 -0.0052623 -0.00152008 45
13371 83 C 29.9074 2.59604 61.5624 -0.000192943 -0.000207297 0.00126837 45
13372 84 C 30.2027 3.35869 60.314 -0.00384117 -0.00327317 0.000363987 45
13373 85 C 28.9949 3.70487 59.4521 0.00095311 0.000103452 0.00565476 45
13374 86 C 29.3733 4.37641 58.099 0.00131766 0.00152034 0.00489948 45
13375 87 C 29.9295 3.41215 57.0362 0.000823432 0.0029593 0.00165789 45
13376 88 C 28.9284 3.147 55.889 -0.000490987 0.00233152 0.00151843 45
13377 89 C 28.551 4.37837 55.0348 0.00245916 -0.00195521 0.000455591 45
13378 90 C 27.7673 4.05256 53.7381 -0.00287267 0.000898523 0.00020902 45
13379 91 C 28.6585 3.50436 52.6058 0.00417082 0.0022877 -0.000287123 45
13380 92 C 27.8891 3.54223 51.2766 0.000963694 0.000633177 -0.001804 45
13381 93 C 28.6759 3.22542 50.0519 0.00279162 0.000101255 0.00230259 45
13382 94 C 29.8201 5.5084 82.4043 0.00145311 -0.000137252 0.00391226 45
13383 95 C 29.808 5.16507 83.896 -0.00170479 -0.00335379 0.00333143 45
13384 96 C 28.4373 5.50352 84.4902 -0.00177334 -0.00236822 -0.00455824 45
13385 97 C 28.0577 4.85502 85.8291 -0.00140042 -0.00100824 0.00419268 45
13386 98 C 28.6632 5.44433 87.0621 0.0039512 -0.000300217 0.00406846 45
13387 99 C 28.1798 4.82177 88.3678 -0.00236403 0.00433665 0.0047692 45
13388 100 C 28.8597 5.53851 89.5816 0.0024862 0.0045864 0.00275343 45
13389 101 C 28.5994 4.90494 90.917 -0.000736737 -0.00362443 1.74364e-05 45
13390 102 C 29.312 5.60112 92.1213 -0.000299334 0.00167621 -0.00131886 45
13391 103 C 28.9138 4.92906 93.4538 -0.00590363 -0.00537345 -0.00177059 45
13392 104 C 29.6682 5.46063 94.6773 0.000690497 0.00394953 -0.000348937 45
13393 105 C 29.1615 4.85133 95.9643 -0.00274591 -0.00213534 -0.000576346 45
13394 106 C 35.5876 8.72135 82.5254 -0.000518249 0.00476007 0.00170254 45
13395 107 C 35.2854 8.83695 84.0401 0.000658502 -0.00155115 -0.000900906 45
13396 108 C 36.4107 9.27055 84.9964 0.00048915 0.00386292 0.0034479 45
13397 109 C 35.9234 9.67543 86.3964 0.00397406 0.00210229 0.00101877 45
13398 110 C 36.9729 9.41802 87.5051 0.00243175 0.000550835 0.00134084 45
13399 111 C 36.3384 9.87461 88.8328 -0.00272266 0.00267213 -0.00203963 45
13400 112 C 37.1997 9.54082 90.0702 -0.00289452 -0.00149286 -0.00351835 45
13401 113 C 36.424 9.886 91.3667 -0.00726953 0.00119506 0.000774845 45
13402 114 C 37.1737 9.49292 92.6505 -0.00114394 0.000793558 -0.00312599 45
13403 115 C 36.2615 9.86334 93.8815 0.00243409 0.00017234 -0.000304965 45
13404 116 C 36.8664 9.52044 95.2593 -0.00279932 2.25548e-05 0.00244387 45
13405 117 C 35.9367 10.0846 96.3653 -0.00134631 0.00495323 0.00459164 45
13406 118 C 35.5931 1.56266 82.9876 -0.00411577 -0.00159499 0.00068805 45
13407 119 C 35.9668 1.76258 84.4729 -0.00510114 0.00166024 0.00516337 45
13408 120 C 36.5918 0.511675 85.145 0.000185869 -0.000793696 -0.00507255 45
13409 121 C 37.1601 0.817677 86.5109 0.000704289 -0.00107675 -0.000851785 45
13410 122 C 36.2341 0.549572 87.6686 -0.00197772 -0.00558208 -0.000225343 45
13411 123 C 36.9445 0.743637 89.0049 -3.80572e-05 0.00256204 0.000644711 45
13412 124 C 36.0586 0.35637 90.1871 0.0046547 -0.000453934 -0.00249831 45
13413 125 C 36.8273 0.520203 91.5098 -0.000285729 -0.00257736 0.00345006 45
13414 126 C 36.0641 0.0673603 92.7722 -0.00339935 0.00170492 0.00243757 45
13415 127 C 36.9508 0.2671 93.9991 0.000129169 0.000208965 0.00414907 45
13416 128 C 36.2288 -0.226463 95.2811 -0.00233016 0.00306432 0.0048445 45
13417 129 C 36.7325 0.552527 96.4969 0.000611209 -0.00134578 0.0043499 45
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13421 133 H 35.5697 6.87631 76.5929 -0.0228306 -0.00272284 -0.000154168 45
13422 134 H 29.1341 5.25498 80.0846 0.00123738 0.00778892 0.0105197 45
13423 135 H 29.2999 5.22208 77.685 0.00882998 -0.00656696 -0.0105027 45
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13425 137 H 36.2011 0.758026 80.6575 -0.0118734 -0.00462116 0.013299 45
13426 138 H 36.2081 0.676184 78.3135 -0.0147642 -0.000290606 -0.00704502 45
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13434 146 H 36.5687 2.23479 64.7699 0.00558985 -0.00606199 0.00216813 45
13435 147 H 34.5887 2.45608 68.6125 0.00452388 0.000628978 0.00229362 45
13436 148 H 29.1411 6.13972 67.2372 -0.00557864 -0.00821883 0.000185038 45
13437 149 H 28.9268 5.87854 64.8171 -0.00914159 -0.00577696 0.00237517 45
13438 150 H 31.8573 2.08413 63.7935 -0.00474552 0.00579411 0.00277173 45
13439 151 H 30.5548 4.6072 68.6063 0.0141252 -0.00140236 -0.000896186 45
13440 152 H 33.8776 5.1656 81.6772 -0.010359 -0.00322469 -0.00383912 45
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13442 154 H 34.4272 0.214717 62.6095 0.0249857 -0.0126386 0.0048225 45
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13500 212 H 30.1042 5.17663 58.2692 -0.00430497 0.0061141 0.00745245 45
13501 213 H 30.8307 3.83423 56.5745 0.00814027 -0.00850966 0.00551593 45
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13504 216 H 27.9739 2.79815 56.3019 0.00358759 -0.0105243 3.32147e-05 45
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13507 219 H 26.9652 3.34069 53.9689 0.00897579 -0.0114745 0.00327085 45
13508 220 H 27.3153 5.00527 53.4358 0.00489385 0.0118226 0.0228798 45
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13510 222 H 29.0475 2.50025 52.8153 0.00567403 0.0051503 0.0106206 45
13511 223 H 26.9774 2.93743 51.3563 0.00096312 0.00157277 0.00543635 45
13512 224 H 27.5239 4.56452 51.1188 0.00111829 0.00232798 0.00884006 45
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13514 226 H 29.5739 3.84602 49.9428 -0.00701748 0.0163431 0.0142428 45
13515 227 H 28.9967 2.18224 49.9409 0.00377309 -5.71562e-05 0.00670073 45
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13517 229 H 29.0583 4.86737 81.9439 0.00442857 0.00122752 -0.00293303 45
13518 230 H 29.9894 4.08569 83.9699 -0.00285921 -0.00283096 0.0138104 45
13519 231 H 30.6354 5.62254 84.4523 -0.00974136 0.0191208 -0.00326076 45
13520 232 H 28.4713 6.59008 84.6373 -0.00076309 -0.00704535 0.0299284 45
13521 233 H 27.6096 5.28184 83.8053 -0.00322109 -0.0064766 -0.00149097 45
13522 234 H 26.9908 5.05223 85.991 -0.00112162 -0.0060216 0.0121304 45
13523 235 H 28.2983 3.78548 85.869 -0.00343812 -0.00129275 0.00897145 45
13524 236 H 29.7561 5.35149 87.0751 0.00467596 0.00722648 -0.00245408 45
13525 237 H 28.4975 6.52801 87.1019 0.00838523 2.82737e-05 0.0140033 45
13526 238 H 27.0887 4.90601 88.4442 -0.00181573 0.00441093 0.0125276 45
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13529 241 H 28.591 6.60056 89.6384 0.00377491 0.00486314 0.00370499 45
13530 242 H 27.5145 4.9099 91.08 -0.00288152 -0.00669527 -0.0141451 45
13531 243 H 28.8669 3.84108 90.913 0.0200708 0.0016745 -0.00945565 45
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13533 245 H 29.0954 6.6749 92.1804 0.00957309 0.00371116 -0.00194716 45
13534 246 H 27.846 5.10418 93.6342 -0.00669117 -0.00302355 -0.00873596 45
13535 247 H 29.0819 3.84621 93.4029 0.0165129 -0.00293651 0.01986 45
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13537 249 H 29.6379 6.55367 94.7654 0.000303345 0.00440011 -0.00614365 45
13538 250 H 29.7483 5.30168 96.7744 0.00350932 -0.0182422 0.00379023 45
13539 251 H 28.1175 5.16 96.0988 -0.000139287 0.0107616 -0.00999299 45
13540 252 H 29.1166 3.75584 96.0002 0.00123922 -0.0021796 0.00281347 45
13541 253 H 36.6688 8.57067 82.4171 0.00034173 0.0039571 0.0113761 45
13542 254 H 35.3492 9.62376 81.949 0.000488171 0.0118926 0.0125284 45
13543 255 H 34.4237 9.5092 84.1348 0.0156725 0.0173906 0.000849356 45
13544 256 H 34.9019 7.89118 84.4424 -0.0312147 0.00548337 -0.014764 45
13545 257 H 37.0765 8.3987 84.9977 0.00675288 0.00858083 -0.0103843 45
13546 258 H 36.9432 10.134 84.5789 -0.0066868 0.00570082 -0.00191114 45
13547 259 H 35.6387 10.7299 86.4991 -0.0136736 -0.00265962 0.00100706 45
13548 260 H 35.0353 9.07136 86.6196 0.00743874 0.00240967 0.0156226 45
13549 261 H 37.2662 8.36305 87.5712 0.00389103 0.00159664 0.0117229 45
13550 262 H 37.8795 10.0162 87.3513 -0.00341357 0.00903009 -0.000204136 45
13551 263 H 36.1062 10.9463 88.8644 0.00420168 0.00398132 0.00471108 45
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13554 266 H 38.1599 10.0709 90.0882 -0.00174304 -0.0039464 0.0084094 45
13555 267 H 36.2291 10.9639 91.4261 -0.00695293 0.00131119 -0.000310134 45
13556 268 H 35.4372 9.41827 91.263 -0.00252135 -0.0045937 -0.0187892 45
13557 269 H 37.4559 8.43306 92.6719 -0.00801986 -0.00109427 -0.00639786 45
13558 270 H 38.1094 10.0643 92.6877 0.00258059 -0.00473469 -0.0119965 45
13559 271 H 36.0125 10.9313 93.8533 -0.00873805 -0.00222076 0.00731405 45
13560 272 H 35.3021 9.34251 93.7732 0.00979549 -0.0131008 -0.00169287 45
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13564 276 H 35.8974 11.1803 96.3284 0.00886495 0.00519622 0.00117159 45
13565 277 H 34.89 9.77737 96.2492 0.0053161 -0.0155166 -0.00100952 45
13566 278 H 34.8518 0.770841 82.8238 -0.00992822 0.0028607 0.00546449 45
13567 279 H 36.5351 1.24284 82.5253 0.000594267 0.0122545 0.000714544 45
13568 280 H 35.0981 2.05529 85.0754 0.00574143 -0.00377162 0.023475 45
13569 281 H 36.6755 2.59675 84.5462 0.00705256 -0.0084351 0.00223798 45
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13574 286 H 35.9205 -0.498656 87.5895 0.00122012 -0.00720792 0.0086659 45
13575 287 H 35.3051 1.13232 87.6958 -0.00856828 -0.0163334 0.00670552 45
13576 288 H 37.1735 1.80628 89.1523 -0.00285282 0.00384782 -0.00428797 45
13577 289 H 37.8965 0.199403 89.035 -0.00500896 -0.00647267 -0.00621158 45
13578 290 H 35.6878 -0.658432 89.997 0.00604554 -0.00355625 0.0115219 45
13579 291 H 35.1932 1.03057 90.185 0.00231145 -0.00345968 -0.000306745 45
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13581 293 H 37.7684 -0.0432989 91.4953 -0.00261062 -0.00655948 0.00704974 45
13582 294 H 35.7411 -0.971531 92.6316 -0.00907785 0.00286222 0.00691658 45
13583 295 H 35.1179 0.618559 92.8374 -0.00514502 -0.000153709 -0.00689554 45
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13585 297 H 37.87 -0.3195 93.8795 -0.00183552 -0.0036914 0.00810627 45
13586 298 H 36.3201 -1.30273 95.4728 0.000689873 0.00204561 -0.00239633 45
13587 299 H 35.1564 -0.0129582 95.1926 0.0017792 0.0156122 -0.014756 45
13588 300 H 36.5595 1.62395 96.3371 0.00046845 -0.000804726 0.00814343 45
13589 301 H 37.805 0.356816 96.6193 -0.000207709 0.00956502 0.0287305 45
13590 302 H 36.2067 0.264611 97.4156 0.00391923 -0.00507007 0.00507497 45
13591 1 C 39.593 15.1742 79.5118 0.00501805 0.00117363 -0.000241348 46
13592 2 C 39.6311 15.028 78.1165 0.00507798 -0.0010779 0.00114895 46
13593 3 C 39.1196 13.8619 77.5473 -0.00227909 -0.000645424 -0.00259959 46
13594 4 C 38.6 12.8574 78.3635 0.00106967 0.00298965 0.00285985 46
13595 5 C 38.5173 12.989 79.7863 -0.00270714 -0.00227793 0.00384026 46
13596 6 C 39.0538 14.1799 80.3477 0.0010908 -0.00353052 -0.00176137 46
13597 7 C 33.9812 11.9721 79.7393 0.0014091 0.0014868 0.00156736 46
13598 8 C 34.0608 11.8734 78.3024 -0.00103203 0.00542206 0.00371032 46
13599 9 C 35.2861 11.7641 77.6199 0.0004024 -0.000362592 -0.000991288 46
13600 10 C 36.4634 11.6898 78.3973 -0.00190647 -5.45784e-05 -0.00508622 46
13601 11 C 36.4061 11.7984 79.8093 0.00541415 0.0021942 -0.00122554 46
13602 12 C 35.1771 11.9733 80.4947 0.000649974 -0.000734907 -0.00186256 46
13603 13 C 39.6298 8.36455 80.1384 0.00127649 0.0019518 0.0017724 46
13604 14 C 39.7372 8.32326 78.7569 -0.000837257 0.0047241 -0.00266908 46
13605 15 C 39.2177 9.34831 77.9758 0.00167125 -0.00161056 0.00137721 46
13606 16 C 38.5642 10.452 78.5679 0.00248667 -0.00495085 -0.000643412 46
13607 17 C 37.9247 11.6104 77.8193 0.00513312 -8.57863e-05 -0.000169326 46
13608 18 O 39.0087 9.63063 82.1421 2.02274e-05 0.00176497 -0.00342158 46
13609 19 O 35.1407 12.0705 81.8676 -0.00196202 0.00285277 0.00105438 46
13610 20 O 39.0882 14.3693 81.7369 -0.00232728 -0.000469066 -0.00545848 46
13611 21 C 39.0398 9.51033 80.77 0.000525814 -0.00156151 -0.00499813 46
13612 22 C 37.9686 11.4458 76.3858 0.00157733 0.000230932 0.00045467 46
13613 23 C 37.843 11.1804 75.2175 0.000220363 0.0013436 -0.00181577 46
13614 24 C 37.4695 10.8238 73.9152 -0.0016022 -0.000358229 1.39956e-05 46
13615 25 C 38.1806 9.79585 73.246 -0.00312416 -0.00140616 -0.00219788 46
13616 26 C 37.761 9.3686 71.9604 1.40026e-05 0.00573509 -0.00144062 46
13617 27 C 36.6195 9.95822 71.4002 -0.000341666 0.000862746 -0.00170819 46
13618 28 C 35.9235 10.9423 72.0831 0.0013281 0.00113062 -0.00205375 46
13619 29 C 36.3114 11.36 73.3812 0.000689032 0.00270864 0.00675816 46
13620 30 C 36.2218 9.60762 70.0936 -0.00183949 -0.00382371 0.00344826 46
13621 31 C 35.966 9.37745 68.9388 -0.000958217 -0.00133664 -0.0023364 46
13622 32 C 33.9309 5.85054 67.0676 0.0015973 0.000747202 0.00614198 46
13623 33 C 33.8588 5.8026 65.6743 -0.00241064 0.00174323 0.000942506 46
13624 34 C 34.3669 6.85817 64.9164 0.00447197 -0.000939961 -0.00323992 46
13625 35 C 34.9167 7.97827 65.57 -0.00014158 -0.0016695 0.00293402 46
13626 36 C 35.0512 7.97298 66.9714 0.000971862 0.0016348 0.00352919 46
13627 37 C 34.5558 6.92832 67.7635 -0.00107448 0.00112255 0.000627566 46
13628 38 C 35.8018 9.21313 67.4926 -0.00168383 0.000834494 0.00140209 46
13629 39 C 39.5832 9.24349 66.6364 -0.00350236 0.00306601 0.00220704 46
13630 40 C 39.4731 9.20917 65.2305 0.000692987 -0.00546589 -0.00111276 46
13631 41 C 38.2309 8.99583 64.5893 -0.00125346 0.000220515 -0.00101104 46
13632 42 C 37.0852 9.05335 65.3955 -0.00160938 0.000992098 -0.00101338 46
13633 43 C 37.1994 9.12315 66.7841 -0.00010767 0.00169293 0.00238924 46
13634 44 C 38.4603 9.11177 67.4161 0.00381366 -0.000920312 0.000939305 46
13635 45 C 34.0559 12.6237 66.8126 -0.000360363 -0.00258641 0.00215588 46
13636 46 C 34.1156 12.6147 65.42 0.000109842 -0.00244765 -0.00361743 46
13637 47 C 34.679 11.5523 64.712 -0.00285283 -0.000501973 -0.00107162 46
13638 48 C 35.1012 10.4126 65.4387 2.40723e-06 0.000973927 -0.00171169 46
13639 49 C 35.6342 9.09273 64.8482 -0.00099091 0.00202921 -0.00284092 46
13640 50 C 35.1476 10.4646 66.8447 -0.0015865 -0.00167758 0.000576321 46
13641 51 C 34.6017 11.5714 67.5432 0.00311615 -0.00387191 -0.00103842 46
13642 52 O 38.1459 9.16151 63.2301 -0.00180318 -0.00490554 -0.00118084 46
13643 53 O 34.3836 6.73038 63.5434 -0.00206957 0.000806521 -0.000589375 46
13644 54 O 34.7302 11.6133 63.3174 0.0012978 0.00114322 0.00106351 46
13645 55 C 37.7893 11.8498 80.4807 0.00171965 0.00156776 -0.00288738 46
13646 56 C 38.5086 10.5699 79.9982 -0.000603394 0.00213752 -0.00107444 46
13647 57 C 37.6003 8.1768 62.3701 0.00265141 0.00382015 0.00384222 46
13648 58 C 36.8836 8.9237 61.2445 4.37139e-06 0.00255169 0.0006756 46
13649 59 C 36.5617 8.00343 60.0776 0.00176428 0.00396625 0.00128935 46
13650 60 C 35.6702 8.62937 59.0087 -0.00182214 0.00279653 -0.000354472 46
13651 61 C 36.4046 9.44176 57.9025 0.00080061 -0.00131528 -0.00421981 46
13652 62 C 37.2974 8.62492 56.899 0.00293875 -0.0021959 -0.0023612 46
13653 63 C 37.1243 9.17146 55.4534 -0.00208155 0.00140215 -0.00064866 46
13654 64 C 35.7062 8.93621 54.8469 -0.000630123 0.00127824 0.000341827 46
13655 65 C 35.7354 8.1734 53.5017 0.00164899 -0.000542324 0.000561452 46
13656 66 C 36.2481 8.96293 52.3073 0.00517313 0.00065898 -0.00183353 46
13657 67 C 35.9877 8.19532 50.9954 -0.00308423 -0.00314321 -0.00498989 46
13658 68 C 36.4383 8.93924 49.7595 -0.00419789 -0.000924505 0.00181412 46
13659 69 F 38.4019 8.40084 71.2851 -0.00220268 -0.000760792 -0.0054756 46
13660 70 C 33.1533 6.94637 62.8573 -0.00133038 -0.00142143 9.01087e-06 46
13661 71 C 32.7913 5.65053 62.1403 -0.00364768 0.00191379 -0.00289563 46
13662 72 C 33.4859 5.36615 60.7687 0.0003167 -0.00253397 -0.00217236 46
13663 73 C 32.8506 6.2502 59.6728 0.00187441 0.00413657 0.00267203 46
13664 74 C 33.1974 5.85732 58.2152 0.000697727 0.00309852 -3.34495e-05 46
13665 75 C 32.7767 6.97434 57.2355 0.00150339 0.0012738 -0.00117403 46
13666 76 C 31.9913 6.59139 55.9524 0.00320489 4.79768e-05 -0.00139052 46
13667 77 C 32.884 6.08877 54.8038 0.000812083 0.00182285 -0.000118422 46
13668 78 C 32.1511 6.23711 53.4481 -0.000292027 -0.0019003 0.00324303 46
13669 79 C 32.84 5.85384 52.1336 -0.00253905 -0.00104919 0.00345611 46
13670 80 C 31.897 5.9598 50.9141 -7.02439e-05 -0.000869758 0.00131329 46
13671 81 C 32.7099 6.06414 49.5995 -0.000252139 -0.000376118 0.00134596 46
13672 82 C 35.8937 12.1533 62.6689 -0.000840443 -0.00285902 -0.00303357 46
13673 83 C 35.5766 12.1734 61.1318 -0.00363211 -0.00273958 -0.000443753 46
13674 84 C 36.6313 12.6366 60.0857 0.000213823 -0.00068714 -0.000536761 46
13675 85 C 35.9944 12.8411 58.6912 -0.002478 -0.00101251 -0.00105471 46
13676 86 C 36.9491 13.0309 57.4688 0.000158003 0.00200484 0.000323963 46
13677 87 C 36.1777 12.9537 56.1555 -0.000939921 0.000482814 0.00100004 46
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13680 90 C 36.7845 12.8144 52.2937 -0.000891103 -0.00701784 -0.00147155 46
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13701 111 C 40.8153 17.0427 88.2248 -0.00387902 -0.00281161 -0.000335683 46
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13712 122 C 40.3567 7.04125 87.2969 -0.0021001 0.000476751 0.00166993 46
13713 123 C 40.3103 7.87426 88.5534 0.00313602 0.00530985 0.00105776 46
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13717 127 C 40.2962 7.63634 93.7139 0.000427013 2.87915e-05 -0.00136901 46
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13786 196 H 33.7361 6.45784 51.9449 0.000458166 -0.0118363 -0.0169573 46
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13789 199 H 31.2716 6.85554 51.0141 -0.0143636 -0.0119411 0.0112336 46
13790 200 H 33.3816 5.19763 49.5629 0.00752571 0.00523476 0.0108692 46
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13800 210 H 35.3558 13.7319 58.7369 -0.00940752 -0.00660054 0.0110086 46
13801 211 H 37.4669 13.9933 57.5635 -0.019374 0.0116207 0.00955415 46
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13810 220 H 37.3919 11.9049 52.2094 0.0150134 0.00356976 -0.000907169 46
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13812 222 H 35.0568 13.6252 51.4057 -0.00573461 -0.00456812 -0.00985516 46
13813 223 H 37.0062 13.8909 49.8043 0.00492867 -0.00720931 0.00321718 46
13814 224 H 37.1084 12.141 49.6577 0.0154894 0.0130848 0.00336796 46
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13817 227 H 34.7388 13.8965 48.7491 0.00380241 0.00486826 -0.00717027 46
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13819 229 H 33.5032 10.8321 82.3551 -0.0043442 0.00425584 0.00621593 46
13820 230 H 34.8077 11.7323 84.5041 -0.00960568 -0.0181039 0.00390301 46
13821 231 H 34.043 13.2978 84.169 0.00530063 0.000292188 0.00122886 46
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13823 233 H 32.3959 10.7018 84.3117 -0.00999432 0.00228417 0.00151208 46
13824 234 H 31.8315 10.9388 86.59 0.0122915 -0.00117873 0.01785 46
13825 235 H 33.5205 10.9259 86.4794 0.00111719 -0.000279773 -0.00482586 46
13826 236 H 33.5616 13.455 86.727 -0.00120011 -0.00457317 -0.00757574 46
13827 237 H 31.8482 13.582 86.5683 -0.0036302 -0.00211187 0.014505 46
13828 238 H 32.3624 13.7753 88.9706 -0.00132616 -6.00688e-05 -0.00101237 46
13829 239 H 31.4305 12.3469 88.664 -0.00126694 -0.00146679 0.00302831 46
13830 240 H 33.5781 10.9914 88.6043 -0.00419658 0.000996736 -0.00324803 46
13831 241 H 34.4552 12.5095 89.0995 0.0017785 -0.00945312 -0.00333249 46
13832 242 H 32.0478 11.3922 90.692 -0.00168311 -0.010364 0.00657169 46
13833 243 H 33.5578 10.5166 90.7693 0.00385802 0.00386461 0.00231901 46
13834 244 H 34.6752 12.4646 91.6308 -0.00353096 0.00431405 0.0118808 46
13835 245 H 33.243 13.4566 91.4261 -0.00371626 0.00382715 0.0182697 46
13836 246 H 31.9986 11.9619 92.9613 0.0016934 0.00935846 -0.00200332 46
13837 247 H 33.4095 10.9061 93.113 -0.012345 -0.00310198 0.00707248 46
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13839 249 H 33.4183 13.7806 94.1634 -0.00289734 -0.00404845 -0.00875874 46
13840 250 H 31.7416 12.4096 95.3918 0.000948927 0.0186057 -0.00420107 46
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13842 252 H 33.1866 12.7108 96.4229 0.0167947 0.00551637 -0.00593333 46
13843 253 H 40.4096 16.0049 81.813 0.00925004 -0.0131393 0.00133196 46
13844 254 H 38.6424 16.38 82.0621 -0.00142027 0.00499516 0.0185317 46
13845 255 H 38.9137 15.2814 84.3421 0.00159481 0.00585548 0.0130955 46
13846 256 H 40.6257 15.0376 83.9108 -0.00122245 0.00158422 -0.0028662 46
13847 257 H 40.7999 17.6366 83.605 0.00602163 0.000471975 0.00354036 46
13848 258 H 39.2194 17.7519 84.3438 0.00260908 -0.000376479 0.00602099 46
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13854 264 H 40.8248 18.1388 88.1814 -0.00796032 -0.00256726 0.0049629 46
13855 265 H 39.1192 16.9079 89.5364 0.00450026 0.014791 0.011621 46
13856 266 H 40.1369 15.4991 89.5789 -0.00241653 -0.00437164 0.0137106 46
13857 267 H 41.9507 16.7658 90.6866 -0.00226287 -0.0117 0.00466803 46
13858 268 H 40.9599 18.2397 90.6549 -0.00831265 8.72096e-05 0.0108041 46
13859 269 H 39.2488 17.0447 92.036 4.51885e-07 0.00483991 0.00680387 46
13860 270 H 40.3334 15.6519 92.249 0.00078489 -0.00182494 -0.00339947 46
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13864 274 H 40.544 15.9631 94.9065 -0.0050481 -0.00456749 0.00719359 46
13865 275 H 40.5716 17.3368 96.7403 -0.0117323 0.0223088 0.00832311 46
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13867 277 H 40.5279 18.8948 95.9282 0.00307512 -0.00163076 -0.00371055 46
13868 278 H 38.7565 9.00337 84.0334 0.00460274 -0.00110561 0.00132122 46
13869 279 H 38.3361 7.78272 82.8041 0.010815 -0.0105833 -0.000625105 46
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13875 285 H 41.0958 8.68437 86.1922 0.0153281 -0.00552139 -0.0201622 46
13876 286 H 41.257 6.41498 87.3217 -0.000421779 0.00305471 0.00590413 46
13877 287 H 39.4639 6.4041 87.3131 0.0059676 -0.0109211 -0.00332329 46
13878 288 H 39.4503 8.55448 88.5203 -0.00356585 -0.00320467 0.000544594 46
13879 289 H 41.1713 8.53848 88.6982 0.0124056 -0.00684103 0.0014787 46
13880 290 H 40.9112 6.17035 89.8202 0.00593426 0.0102679 0.00204465 46
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13882 292 H 39.5377 8.48726 91.1878 -0.000521288 -0.00307514 -0.00588634 46
13883 293 H 41.3322 8.33949 91.0418 -0.00871976 0.0140918 0.0123173 46
13884 294 H 41.1446 6.23405 92.4035 0.00128862 -0.00114971 0.0231789 46
13885 295 H 39.4215 6.17981 92.3134 0.0043401 -0.0083517 0.0100916 46
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13888 298 H 41.0257 6.08375 94.9728 -0.000447586 -0.00450021 0.0110892 46
13889 299 H 39.2415 6.17732 94.8452 0.00328421 -0.00471083 0.00624774 46
13890 300 H 39.3133 8.34913 96.1872 0.00195657 -0.00363999 0.00827128 46
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13892 302 H 39.728 6.8373 97.0952 -0.0145556 9.87886e-05 0.00086778 46
13893 1 C 43.6487 8.29163 79.8268 -0.00150277 -0.00143454 -0.00227282 47
13894 2 C 43.6 8.22434 78.4219 0.00298238 0.0022926 0.00395399 47
13895 3 C 43.0828 7.08838 77.8155 0.00276243 0.00214862 0.000509451 47
13896 4 C 42.4585 6.072 78.575 0.000988027 -0.00206621 0.000287129 47
13897 5 C 42.4193 6.16382 80.0061 -0.0040865 0.00155477 -0.0015035 47
13898 6 C 43.0447 7.28402 80.6455 0.000948302 -0.001661 -0.000669063 47
13899 7 C 37.8637 4.89344 79.8898 0.000597893 0.0010973 0.00184136 47
13900 8 C 37.8834 4.85585 78.4999 0.00171001 -0.0043459 0.00155273 47
13901 9 C 39.1282 4.95997 77.8196 0.000432565 -0.00133389 0.00132398 47
13902 10 C 40.3035 4.98459 78.6003 0.00244056 -0.0012307 0.000319021 47
13903 11 C 40.2614 5.01311 80.0335 0.0023759 0.00208669 -0.00086309 47
13904 12 C 39.0028 5.04729 80.7006 0.000800375 0.00571876 -0.0027213 47
13905 13 C 43.5558 1.48519 79.9088 0.00228132 0.00321424 0.00197023 47
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14301 107 C 47.7167 15.9838 83.0971 -0.00199395 -0.00156253 0.00456594 48
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14320 126 C 47.8672 6.45471 91.5429 0.000147739 0.00506806 0.000485874 48
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14544 48 C -0.634009 16.906 65.3924 -0.000221156 -0.00149449 -0.00216228 49
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15260 160 H 9.25168 16.3748 58.7714 -0.00181294 0.00146111 -0.000878852 51
15261 161 H 7.46546 14.7762 58.3023 0.00356476 -0.00565084 0.00923904 51
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15264 164 H 7.23367 15.2158 56.0911 -0.00515222 0.00886504 0.015183 51
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15273 173 H 8.51269 13.332 50.1944 -0.000747079 0.0115276 0.00459199 51
15274 174 H 10.2784 13.0675 50.4017 0.00985544 0.00426736 0.0145637 51
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15280 180 H 9.89574 12.255 62.1013 0.00888533 -0.00815778 -0.0114629 51
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15288 188 H 9.44535 11.5826 57.1268 0.0160889 0.00474172 0.00161842 51
15289 189 H 10.9253 10.6281 57.193 0.00342683 -0.00295964 -0.00279772 51
15290 190 H 10.0989 8.90826 55.8566 -0.00237513 -0.00287887 0.0209831 51
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15292 192 H 8.97237 11.3558 54.5549 -0.0176329 -0.0128059 -0.00138744 51
15293 193 H 10.615 10.8005 54.3794 0.00201379 0.000771309 0.00863485 51
15294 194 H 9.86204 8.74351 53.2116 0.0037391 0.00793723 -0.0168935 51
15295 195 H 8.16128 9.14703 53.5458 -0.0106922 0.0143792 0.00272915 51
15296 196 H 8.47352 11.1504 52.0809 0.0086645 0.00642713 -0.00422051 51
15297 197 H 10.1736 10.7399 51.8165 -0.00242448 0.00471869 0.00397701 51
15298 198 H 9.32673 8.49059 50.8998 0.00403707 -1.30005e-05 0.00205446 51
15299 199 H 7.71131 9.11277 51.0323 -0.00103885 -0.00147358 -0.00676214 51
15300 200 H 9.93111 10.4096 49.3273 -0.00560504 0.0192518 0.0125367 51
15301 201 H 8.58369 9.42288 48.692 -0.00222476 0.00733669 -0.00448907 51
15302 202 H 8.28826 11.0264 49.4423 -0.00353682 0.00129902 -0.000806785 51
15303 203 H 7.80185 16.3915 61.8175 -0.00367579 -0.000875991 -0.000254972 51
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15307 207 H 6.09114 18.5761 59.7399 -0.00274056 -0.000326089 -0.0137643 51
15308 208 H 7.33345 17.3275 59.4998 0.00169124 0.00580565 0.000305046 51
15309 209 H 5.44892 15.871 58.5589 -0.010016 0.00201917 0.000177923 51
15310 210 H 4.37544 17.2224 58.8294 0.00208234 0.00566511 0.000612937 51
15311 211 H 5.53831 18.5774 57.1591 0.00282644 0.000704168 0.00959772 51
15312 212 H 6.85272 17.4077 57.0057 -0.000135869 0.00313785 0.00379944 51
15313 213 H 5.07479 15.7082 56.1628 0.00349199 -0.00414048 -0.0109844 51
15314 214 H 3.96543 17.1328 56.2047 0.000301747 -0.000447864 -0.00393195 51
15315 215 H 5.45923 18.2934 54.5032 -0.00741197 -0.00389004 -0.00797251 51
15316 216 H 6.66916 16.9823 54.6913 -0.000350363 0.00389644 0.000769111 51
15317 217 H 5.0094 15.4006 53.602 0.00571579 -0.00149106 0.00171107 51
15318 218 H 3.85949 16.7352 53.4616 -0.0038393 -0.0161894 -0.000150471 51
15319 219 H 5.40285 18.0607 52.0836 -0.0103303 -0.00275139 -0.00190277 51
15320 220 H 6.5553 16.7296 52.1288 0.00349293 0.0189458 -0.0063763 51
15321 221 H 4.70878 15.3028 51.0808 0.0113696 -0.0066915 -0.0176867 51
15322 222 H 3.68241 16.7526 50.9691 0.0015123 -0.0047318 0.00305291 51
15323 223 H 4.7043 16.107 48.8419 -0.00658346 -0.00183639 0.00705877 51
15324 224 H 5.16417 17.793 49.2768 0.00826935 -0.00084053 -0.00792694 51
15325 225 H 7.35634 16.9498 50.0753 0.00311099 0.0128761 -0.00898366 51
15326 226 H 6.8556 15.3098 49.6083 -0.019434 0.000289639 -0.000711982 51
15327 227 H 7.11784 16.5988 48.3449 -0.000286735 0.00407744 -0.0036362 51
15328 228 H 5.68141 19.9519 81.8673 -0.00175566 -0.00542413 -0.00847051 51
15329 229 H 5.35721 18.1838 81.6761 0.00150016 -0.00370587 0.00190507 51
15330 230 H 6.43967 17.766 83.8656 0.00953411 0.00252014 -0.0041081 51
15331 231 H 6.77723 19.483 84.0028 0.00819938 -0.00147774 -0.0103873 51
15332 232 H 4.27342 19.9402 83.8241 -0.00870037 -0.00739455 -0.00347093 51
15333 233 H 3.91034 18.2963 84.1642 -0.00809485 0.00601236 0.00784435 51
15334 234 H 5.46998 20.203 86.0201 -0.00647496 0.0108756 -0.0173282 51
15335 235 H 3.78071 19.6789 86.1228 -5.83176e-05 -0.0118834 0.0109388 51
15336 236 H 4.33269 17.4891 86.6726 0.00559695 0.00760155 0.00342414 51
15337 237 H 5.99909 17.5316 86.1614 0.00168053 0.000114897 -0.0022447 51
15338 238 H 5.96491 17.5034 88.6123 0.00788012 0.00344537 0.000920272 51
15339 239 H 6.54308 19.0634 88.0431 0.00401501 -0.00756781 -0.00527293 51
15340 240 H 4.4638 20.1859 88.4764 0.0017498 0.012132 0.00553998 51
15341 241 H 3.75766 18.684 89.1157 0.0046517 -0.00669379 -0.0100454 51
15342 242 H 6.34168 19.8041 90.2767 0.00597919 -0.0026783 0.0052247 51
15343 243 H 4.773 20.5812 90.5992 0.0103522 0.00585 0.0138686 51
15344 244 H 3.91068 18.4476 91.6086 -0.00285836 0.00634829 -0.0105959 51
15345 245 H 5.49247 17.6711 91.3183 0.00400179 0.00392514 0.00813809 51
15346 246 H 6.54011 19.265 92.9025 -0.000545661 0.016226 -0.0136008 51
15347 247 H 5.03549 20.243 92.9085 -0.00231046 -0.000794373 -0.00470295 51
15348 248 H 3.89087 18.3802 94.1178 0.00303683 -0.00124778 0.0196005 51
15349 249 H 5.38296 17.3573 93.9243 0.013391 0.00502682 -0.00122077 51
15350 250 H 5.12827 19.8042 95.6947 -0.00512742 -0.00173588 -0.00699503 51
15351 251 H 5.39615 18.0921 96.1302 0.00882424 -0.0062234 -0.000946012 51
15352 252 H 6.63391 19.0666 95.2433 0.00325637 -0.0197334 -0.011555 51
15353 253 H 10.9355 22.9422 81.8586 -0.00234847 -0.00599599 -0.00111817 51
15354 254 H 10.8578 22.0863 83.4304 0.00180414 0.00384828 0.00290507 51
15355 255 H 13.4702 21.6678 82.964 -0.00183035 -0.00614598 -0.00810848 51
15356 256 H 13.2463 23.1252 81.9589 0.0148472 0.00602197 0.0156784 51
15357 257 H 14.1907 23.6294 84.1523 -0.00302322 -0.00360317 0.00602344 51
15358 258 H 12.7001 24.5004 83.9547 0.0039236 -0.00124446 0.00778686 51
15359 259 H 11.618 22.8934 85.5296 -0.00411183 -0.00524005 0.0135514 51
15360 260 H 13.1094 21.9342 85.6509 -0.00592057 -0.0049544 -0.00939441 51
15361 261 H 14.2922 23.6034 86.8309 -0.00765462 -0.00175151 0.0128988 51
15362 262 H 13.2788 24.9168 86.2272 -0.00931744 0.001548 0.000836251 51
15363 263 H 12.4472 24.881 88.2502 0.00227381 -0.008468 0.00287856 51
15364 264 H 11.3435 23.7688 87.5001 -0.000972808 0.00107451 -0.00855923 51
15365 265 H 11.8037 22.5397 89.3514 -0.000509068 0.00844835 0.00235071 51
15366 266 H 13.32 22.0541 88.5986 -0.00703761 -0.000614041 -0.00722172 51
15367 267 H 14.5878 23.6493 89.922 0.00770135 -0.00849757 0.0186495 51
15368 268 H 13.296 24.6799 90.2155 -0.00443161 -0.0034991 0.00290616 51
15369 269 H 12.196 22.7367 91.5417 0.00160304 -0.000534701 0.0077633 51
15370 270 H 13.6817 21.8748 91.3987 -0.0143695 -0.00425782 0.0112918 51
15371 271 H 14.9109 23.5647 92.7351 0.00179616 -0.00712108 -0.00757669 51
15372 272 H 13.556 24.6956 92.5089 -0.00182552 -0.00239551 0.00209316 51
15373 273 H 12.1581 23.0242 93.8514 0.000721441 0.00226195 -0.00695449 51
15374 274 H 13.5095 21.9568 94.037 -0.000893753 -0.00137274 -0.00829649 51
15375 275 H 13.2524 24.7885 95.1888 -0.0119914 -0.00709599 0.00439806 51
15376 276 H 13.0616 23.322 96.0685 0.00128942 -0.0132654 -0.00596943 51
15377 277 H 14.6895 23.7521 95.4053 -0.00120038 0.00748533 -0.00423437 51
15378 278 H 11.2577 14.221 82.8274 -0.00266512 0.00347088 -0.0154674 51
15379 279 H 12.9171 14.424 82.3823 0.00629181 0.00558193 0.000414184 51
15380 280 H 11.68 15.6097 84.9764 0.00155471 0.00586292 -0.0026977 51
15381 281 H 13.2686 15.9024 84.3541 0.00671046 -0.00679096 -0.00393229 51
15382 282 H 13.7663 13.4225 84.4701 -0.00870341 0.00805828 -0.0129077 51
15383 283 H 12.1773 13.107 84.9597 0.00414426 -0.00762874 0.0127701 51
15384 284 H 14.0977 14.804 86.7083 -0.00305616 0.000617586 0.00214825 51
15385 285 H 13.7019 13.0729 86.8995 0.00519441 0.00153501 0.00895187 51
15386 286 H 11.2115 13.8254 87.1514 0.0107368 -0.0207502 0.0168217 51
15387 287 H 11.8446 15.4359 87.4851 -0.00129033 0.00388023 0.00456478 51
15388 288 H 12.852 13.031 89.0897 0.0119493 0.0027679 -0.00205604 51
15389 289 H 11.4892 14.0172 89.627 -0.00306858 0.00211819 -0.00212014 51
15390 290 H 13.0312 16.037 89.488 -0.0126251 -0.0053657 0.0081155 51
15391 291 H 14.3762 15.0161 89.092 5.67969e-05 -0.00764473 0.00545071 51
15392 292 H 14.617 15.2275 91.4251 -0.00749615 0.016134 0.000281572 51
15393 293 H 13.8792 13.6175 91.2011 0.0137998 0.00162535 0.00728983 51
15394 294 H 11.6275 14.6096 91.7491 -0.00195744 0.000809359 0.00461567 51
15395 295 H 12.3731 16.1577 92.0234 -0.0130118 -0.000692115 -0.00822693 51
15396 296 H 12.9806 13.6161 93.6811 -0.0010537 0.000854819 0.00163345 51
15397 297 H 11.9833 15.0092 94.1646 -0.0002201 0.00315373 -0.00191973 51
15398 298 H 14.1843 16.407 93.814 0.00631072 -0.00360833 -0.0050077 51
15399 299 H 15.0103 14.8827 93.6328 0.00228702 -0.000185396 0.000498367 51
15400 300 H 14.0115 14.151 95.936 -0.00198896 -0.000634861 -0.00481431 51
15401 301 H 13.6019 15.8683 96.1612 -0.00194121 7.59066e-05 -0.00657134 51
15402 302 H 15.3312 15.3559 95.9651 0.00060468 0.0088911 -0.000612618 51
15403 1 C 16.0537 28.6291 79.7178 -9.81319e-05 0.000386365 0.00274583 52
15404 2 C 16.0711 28.4747 78.3416 0.00471525 0.000257094 0.0010274 52
15405 3 C 15.5614 27.3516 77.7076 -0.000378927 -0.000481801 0.00381718 52
15406 4 C 14.9844 26.3698 78.4814 0.00364739 -0.000275528 -0.00163913 52
15407 5 C 14.9755 26.4687 79.9034 -0.00303039 -0.00283988 0.000648489 52
15408 6 C 15.5157 27.653 80.5439 -0.00177186 -0.000744809 -0.000210139 52
15409 7 C 10.4375 25.5081 79.8297 -0.00343348 0.000484886 -0.00137164 52
15410 8 C 10.4908 25.3296 78.4595 0.00174257 0.00340893 0.00279098 52
15411 9 C 11.6839 25.1612 77.8051 0.00364058 0.000875422 -0.00218045 52
15412 10 C 12.9014 25.1801 78.5594 -0.00183335 0.00148826 -0.000402173 52
15413 11 C 12.8676 25.2415 79.973 -0.00511923 -0.00390703 0.00133816 52
15414 12 C 11.5703 25.4285 80.6183 -0.00203858 -0.00343425 -0.000633044 52
15415 13 C 16.2121 21.9078 80.0076 0.0034222 -0.00171201 -0.000716782 52
15416 14 C 16.1941 21.8797 78.5861 -0.000359283 0.00650083 0.00544491 52
15417 15 C 15.6139 22.9314 77.8689 -0.00267966 -0.000779726 0.000538174 52
15418 16 C 14.9857 23.9498 78.5884 0.000419489 0.00219144 -0.000431473 52
15419 17 C 14.2967 25.1222 77.9369 -0.00179444 -0.00842881 0.000280534 52
15420 18 O 15.738 22.8718 82.1255 -1.46471e-05 0.000267689 -0.00175907 52
15421 19 O 11.4642 25.4626 82.0019 0.00153861 0.00208645 0.0023711 52
15422 20 O 15.5283 27.8194 81.9447 0.00426892 0.00371029 -0.000942232 52
15423 21 C 15.6489 22.9467 80.7355 -0.00187155 -0.000809739 -0.00254953 52
15424 22 C 14.1933 25.0585 76.4574 0.00144185 -0.00388717 -0.000900716 52
15425 23 C 14.0001 24.8834 75.2771 0.000464481 -0.000989031 -0.00221278 52
15426 24 C 13.7838 24.5583 73.9162 -0.00103192 -0.00321678 -0.000775676 52
15427 25 C 13.1999 25.4661 73.001 -0.00262353 -0.00247689 -0.000233264 52
15428 26 C 12.8794 25.0547 71.6797 -0.000917496 0.00309387 -0.00305238 52
15429 27 C 13.1088 23.7368 71.2847 0.00232654 0.00024048 -0.00252966 52
15430 28 C 13.7073 22.8407 72.1962 0.00155507 0.00308441 -0.0020815 52
15431 29 C 14.0242 23.2497 73.4884 -0.00288526 -0.000139992 0.00359992 52
15432 30 C 12.7396 23.2769 69.9767 -0.00250229 -0.00334841 0.00184956 52
15433 31 C 12.4447 23.0292 68.8332 -0.00478717 0.00370442 -1.15194e-05 52
15434 32 C 10.1065 19.5324 67.3634 -0.00244197 -0.0045443 0.00343714 52
15435 33 C 10.1177 19.3037 65.9897 -0.00190322 0.00205722 0.00295965 52
15436 34 C 10.6947 20.2154 65.1298 0.00224447 0.00130826 0.00180676 52
15437 35 C 11.3259 21.3283 65.6604 0.000886465 0.00157269 -0.000743565 52
15438 36 C 11.3733 21.5561 67.0457 -0.00100501 0.0012954 0.000310796 52
15439 37 C 10.7423 20.6365 67.9059 0.000113639 -0.00384042 0.00323325 52
15440 38 C 12.2172 22.7698 67.4009 -0.000632422 -0.00486976 -0.00331553 52
15441 39 C 15.9541 22.8103 66.3747 -0.00370737 -0.000929757 -0.00327887 52
15442 40 C 15.8069 22.6072 65.007 -0.000831491 -0.000708884 -0.00351188 52
15443 41 C 14.5426 22.482 64.4128 -5.41576e-05 0.000419992 0.0040198 52
15444 42 C 13.4001 22.4892 65.2141 0.00257583 0.000326123 -0.00328067 52
15445 43 C 13.5713 22.6224 66.627 -0.00248305 0.000799981 0.000498389 52
15446 44 C 14.8253 22.7517 67.175 -0.00132533 -0.00184034 -0.00134484 52
15447 45 C 10.2317 25.9916 66.4889 0.000809832 -0.000440927 0.000486373 52
15448 46 C 10.3262 25.8889 65.0868 0.00443485 0.00133675 -0.00490915 52
15449 47 C 10.9016 24.773 64.4798 0.000941772 -0.000463819 -0.00272986 52
15450 48 C 11.4281 23.7987 65.2845 0.00196074 -0.000707777 0.00318259 52
15451 49 C 11.9569 22.4151 64.7541 0.000116614 0.00263174 -0.000119628 52
15452 50 C 11.4918 23.9209 66.6685 -0.00203986 -0.00412458 0.000796315 52
15453 51 C 10.8625 25.007 67.3195 -0.000215868 0.000936884 0.00137323 52
15454 52 O 14.4244 22.4608 63.0353 0.000891696 0.00256167 -0.000179834 52
15455 53 O 10.7484 19.9849 63.7785 -0.00527174 0.00180185 0.00119324 52
15456 54 O 11.0171 24.7376 63.1269 -0.00287664 0.00179048 0.000713811 52
15457 55 C 14.3067 25.2575 80.5994 0.00453503 0.00191458 -0.00307116 52
15458 56 C 15.0302 24.0237 80.0194 -0.002827 0.00104931 0.00218321 52
15459 57 C 13.7579 21.433 62.2611 -0.00234571 0.00096294 -0.005066 52
15460 58 C 13.0271 22.202 61.1427 -0.00444182 0.00309242 -0.00047895 52
15461 59 C 12.9587 21.4419 59.7822 0.00123213 0.0025206 0.00366122 52
15462 60 C 12.4825 22.3122 58.6478 0.000934631 -0.000127328 -0.000803392 52
15463 61 C 12.685 21.5682 57.2883 -0.00055593 -0.00151277 0.000197068 52
15464 62 C 12.2061 22.3928 56.0834 0.000495748 -0.00207302 -0.00352605 52
15465 63 C 12.54 21.7138 54.7512 -0.00217298 0.00244152 0.000197909 52
15466 64 C 11.9088 22.3666 53.5484 -0.000301614 0.00364289 0.00549121 52
15467 65 C 12.36 21.6303 52.3055 -0.000254772 -0.00555187 -0.000400882 52
15468 66 C 11.6713 22.0667 50.9945 4.73804e-05 0.00201675 0.00153772 52
15469 67 C 12.267 21.3881 49.7702 0.000967199 -0.000401503 0.00068658 52
15470 68 C 13.67 21.8974 49.4165 -0.00207198 0.00261341 -0.00049677 52
15471 69 F 12.3603 25.9577 70.7885 0.00123871 -0.00152643 -0.00272994 52
15472 70 C 9.67818 19.5035 62.9746 0.000488668 0.00108329 -0.00241645 52
15473 71 C 9.9537 20.1205 61.5811 0.000672901 -0.00154632 -0.00136854 52
15474 72 C 9.07039 19.5268 60.4521 0.00280714 -0.00154933 -0.00421417 52
15475 73 C 9.58372 19.9321 59.0342 0.00271491 -0.00099735 0.00331787 52
15476 74 C 8.65617 19.5087 57.8921 0.00226351 0.000540429 0.00358909 52
15477 75 C 9.25897 19.9546 56.5344 -0.000193767 7.85081e-05 -0.00123604 52
15478 76 C 8.41236 19.4089 55.3811 -0.00197209 0.00231965 -0.00212169 52
15479 77 C 8.83382 19.8084 53.9823 0.000871269 0.00203267 0.000609855 52
15480 78 C 7.99875 19.0429 52.908 0.0031578 -0.00178787 -0.00180519 52
15481 79 C 8.19121 19.5752 51.4867 0.000757857 0.000726866 -0.00073337 52
15482 80 C 9.44268 18.9338 50.8592 -0.0106925 0.00200216 0.00012958 52
15483 81 C 9.49224 19.026 49.3007 -0.000501247 -0.00185582 0.000506796 52
15484 82 C 12.1008 25.4464 62.5361 -0.00222955 -0.0014099 0.00332084 52
15485 83 C 11.892 25.5397 60.9998 -0.00264066 0.00127036 0.000571336 52
15486 84 C 12.9424 26.3494 60.1834 -0.00218332 -0.00235059 0.00231212 52
15487 85 C 12.5478 26.9276 58.8151 -0.000935772 0.00124727 -0.00683461 52
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15709 5 C 18.7988 19.7454 79.4413 -0.00187668 -0.00148117 0.00130055 53
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15714 10 C 16.7213 18.4622 78.058 0.000552776 -0.000149443 0.00286307 53
15715 11 C 16.6405 18.5486 79.4698 0.00149325 -0.00578983 -0.00227581 53
15716 12 C 15.3921 18.5376 80.1135 -0.000570211 -0.00189062 -0.00236298 53
15717 13 C 19.97 15.1915 79.5689 -0.00170106 -0.00339033 0.0038057 53
15718 14 C 19.9868 15.1547 78.1926 -0.000958209 0.00265354 0.00182899 53
15719 15 C 19.3856 16.1809 77.4925 0.00309402 0.0052544 0.000765274 53
15720 16 C 18.7796 17.2208 78.1707 -0.0015503 0.000831071 0.00037883 53
15721 17 C 18.1274 18.4005 77.5007 -0.00454765 -0.000198308 -0.000568507 53
15722 18 O 19.5973 16.3356 81.7073 -0.00143927 0.000614496 0.00152255 53
15723 19 O 15.2775 18.6161 81.5067 -0.000940571 -0.000916164 0.00191975 53
15724 20 O 19.3551 21.088 81.3987 0.000920835 0.00147335 -0.00195226 53
15725 21 C 19.4391 16.2714 80.3118 -0.00413486 0.00355173 0.00247917 53
15726 22 C 18.1164 18.3097 76.0199 -0.0020913 -0.00112618 0.00631902 53
15727 23 C 17.9944 18.0658 74.8373 -0.000532206 0.00252212 0.00680769 53
15728 24 C 17.7998 17.7107 73.4592 0.00471033 -0.000126372 0.00168398 53
15729 25 C 16.9674 18.5435 72.6573 -0.00299259 0.00118021 0.00139954 53
15730 26 C 16.5071 18.0253 71.4278 -0.000868448 0.00276758 0.00011607 53
15731 27 C 17.0157 16.782 70.9924 0.00498467 0.00136434 0.000667944 53
15732 28 C 17.9299 16.0166 71.7351 -0.000806714 -0.000449393 -0.00652167 53
15733 29 C 18.2801 16.4775 73.0061 -0.000829132 -0.00119419 -0.000327084 53
15734 30 C 16.6833 16.3067 69.6945 -0.00189522 -0.00178293 -0.00242942 53
15735 31 C 16.4068 16.0526 68.5514 0.00245436 0.0009472 -0.000880323 53
15736 32 C 14.723 12.2648 66.7705 0.00262195 -0.00297999 0.00173295 53
15737 33 C 14.72 12.1617 65.3739 0.00215058 -0.000134462 -0.000906714 53
15738 34 C 15.1808 13.2483 64.5864 -0.00250652 0.000113664 0.00379589 53
15739 35 C 15.4816 14.4261 65.2311 -0.0014439 -0.00229386 0.000594929 53
15740 36 C 15.5512 14.5603 66.6173 -0.00437576 -0.000970071 0.00190116 53
15741 37 C 15.1239 13.4423 67.4084 0.00200746 -0.00231869 -0.000726171 53
15742 38 C 16.2655 15.8422 67.1121 0.001018 0.00111228 0.00083527 53
15743 39 C 20.0311 15.5022 66.2632 0.00304037 -0.00433645 0.00231891 53
15744 40 C 19.9378 15.433 64.8628 0.000304002 -0.000223087 0.00138083 53
15745 41 C 18.6807 15.6115 64.2114 0.00154065 0.00338801 -0.0040827 53
15746 42 C 17.5243 15.6772 65.0102 0.0037074 0.00206347 0.00124171 53
15747 43 C 17.6168 15.7525 66.4181 0.000190414 -0.00210342 0.00212653 53
15748 44 C 18.8856 15.7084 67.0544 -0.000914512 0.000650002 3.19979e-05 53
15749 45 C 14.2421 19.0615 66.3572 0.000428846 0.00489704 0.00109215 53
15750 46 C 14.2421 18.9567 64.9729 -0.000366567 -0.00463183 -0.00174956 53
15751 47 C 14.7992 17.8771 64.2649 -0.00271655 -0.00420794 0.00261784 53
15752 48 C 15.4317 16.8599 65.041 -0.00171442 -0.00463968 0.000105128 53
15753 49 C 16.0648 15.6158 64.4878 0.00139311 0.00141303 0.000265516 53
15754 50 C 15.482 16.985 66.4436 5.79078e-05 0.00134488 -0.00199219 53
15755 51 C 14.9089 18.0975 67.0899 0.00386365 0.0021273 0.000623965 53
15756 52 O 18.6593 15.5942 62.8516 -0.0029405 -0.000124186 0.00108289 53
15757 53 O 15.4877 13.1512 63.2423 5.0344e-05 0.00324344 -0.00179628 53
15758 54 O 14.6884 17.8145 62.9143 0.000534951 -0.000741173 0.0022397 53
15759 55 C 18.0791 18.5442 80.1306 -0.000715242 0.00123286 -0.00348571 53
15760 56 C 18.7743 17.2539 79.5842 0.000473384 -0.000206438 0.00411123 53
15761 57 C 18.3063 16.7828 62.2061 -0.000903277 0.00143776 -0.0012112 53
15762 58 C 17.6196 16.4668 60.8506 -0.000152188 -0.00310159 -0.000716886 53
15763 59 C 18.6348 16.1044 59.7365 0.00124525 -0.00278433 0.00141718 53
15764 60 C 18.2366 14.8679 58.9416 0.00220706 0.000547054 -8.02289e-06 53
15765 61 C 16.7526 14.818 58.4129 -0.00343472 -0.00137036 0.00137411 53
15766 62 C 16.5241 15.4351 57.0042 -0.000842828 -0.00305501 0.000714039 53
15767 63 C 17.2197 14.6422 55.9018 0.000964437 0.00384393 0.000375025 53
15768 64 C 16.8729 15.1839 54.5015 0.00228254 0.00147308 -0.00295019 53
15769 65 C 17.5733 14.4535 53.3534 -0.00209802 -0.00313135 0.00218934 53
15770 66 C 17.1768 15.2139 52.0728 -0.00246634 -0.00198029 0.00358771 53
15771 67 C 17.7861 14.5352 50.8509 -0.00212229 -0.00180499 -0.00118943 53
15772 68 C 17.4379 15.195 49.5277 -0.000516564 -0.000340263 -0.00104101 53
15773 69 F 15.6362 18.7182 70.6627 -8.842e-05 -0.00144055 3.43792e-05 53
15774 70 C 16.3298 12.1234 62.8167 0.00029823 0.000601449 0.00433863 53
15775 71 C 16.9377 12.5409 61.4683 -0.00360393 -0.00285319 -0.000693496 53
15776 72 C 16.9824 11.49 60.3696 -0.00264868 0.00300146 0.00341802 53
15777 73 C 17.4891 10.1205 60.887 0.000403265 0.00256524 0.00103035 53
15778 74 C 18.329 9.48968 59.7909 -0.000118679 0.0037833 -0.00110531 53
15779 75 C 17.6197 9.18573 58.4074 0.000455247 2.45243e-05 0.00324667 53
15780 76 C 17.7146 10.2232 57.2583 -4.47422e-05 -0.00310121 -0.00112365 53
15781 77 C 17.1082 9.59602 55.9582 0.00169082 0.00318578 0.000611217 53
15782 78 C 17.4599 10.3963 54.7075 -0.00228189 0.00193109 -0.00194342 53
15783 79 C 16.7712 9.73446 53.4681 0.00262911 0.000914095 -0.000926711 53
15784 80 C 16.9059 10.5283 52.1557 0.000869227 0.000520843 0.00534818 53
15785 81 C 16.5882 9.70115 50.8865 0.000122667 -0.00483129 -0.0032498 53
15786 82 C 13.3805 17.5448 62.4405 -0.00160868 0.000418697 0.000637747 53
15787 83 C 13.1704 17.9769 60.9595 -0.00113671 -0.0017343 0.00202407 53
15788 84 C 13.9647 17.1211 59.9772 0.00112346 -8.00008e-05 0.000466036 53
15789 85 C 13.9143 17.5911 58.502 0.00446926 0.00171223 0.00714587 53
15790 86 C 12.5829 17.186 57.7967 -0.000755537 -0.00159349 -0.00165959 53
15791 87 C 12.6964 17.5905 56.3075 0.00102439 0.000590443 -0.000822834 53
15792 88 C 11.632 17.055 55.3774 0.00192245 -0.00229521 -0.000898999 53
15793 89 C 11.7165 17.6045 53.9207 0.00310809 0.00222592 -0.000461177 53
15794 90 C 12.7797 16.9399 53.0564 0.000684368 -0.000843515 -0.002812 53
15795 91 C 12.9321 17.535 51.646 -0.000241008 -0.00307475 -0.000910691 53
15796 92 C 14.1475 16.9482 50.8779 0.0038297 0.00323983 -0.00281258 53
15797 93 C 14.235 17.4636 49.4216 -0.00311117 -0.00348644 0.000537562 53
15798 94 C 13.9573 18.8842 82.0886 -0.000742842 0.00127485 -0.000332187 53
15799 95 C 13.9464 18.8073 83.6296 0.00355932 -0.000831722 0.0048956 53
15800 96 C 12.568 19.1781 84.1893 -0.0015966 0.00380033 -9.29523e-05 53
15801 97 C 12.2436 18.7029 85.5959 -0.00172247 -0.0013601 0.00268847 53
15802 98 C 13.246 18.9395 86.7121 -0.00205635 0.0012872 -4.9405e-07 53
15803 99 C 12.578 18.6119 88.0361 -0.00069645 0.00164616 0.000737404 53
15804 100 C 13.4834 18.8838 89.2553 0.00170092 -0.00111504 -0.00269907 53
15805 101 C 12.6731 18.7976 90.5832 -0.00328521 -0.00166178 -0.000901559 53
15806 102 C 13.4815 18.8649 91.878 0.00207332 0.00262877 -0.00379698 53
15807 103 C 12.5348 19.3022 93.0148 0.00317007 -0.00109447 -0.00658182 53
15808 104 C 12.8808 19.0036 94.4965 -0.00605074 -0.00385861 0.00258154 53
15809 105 C 14.3798 19.1244 94.8069 -0.00442199 6.26888e-05 -0.00290288 53
15810 106 C 19.9508 22.3106 81.959 -0.00294295 0.00477259 0.00245138 53
15811 107 C 19.7285 22.3209 83.4766 -0.00149035 0.00379415 0.003549 53
15812 108 C 20.4542 23.4248 84.3196 -0.00178605 -0.00129017 0.00329478 53
15813 109 C 20.4839 22.948 85.7772 0.00257869 -0.00451046 0.000401609 53
15814 110 C 20.7426 24.0611 86.8483 -0.000750714 0.00127837 0.00100648 53
15815 111 C 20.8713 23.34 88.1901 0.000582136 -0.000823867 0.00104216 53
15816 112 C 20.7112 24.1331 89.4737 0.00121959 0.00623932 -0.00165845 53
15817 113 C 21.088 23.2909 90.6941 -0.00414952 0.00435622 0.00112154 53
15818 114 C 20.6288 23.8669 92.0226 0.0019495 0.00401825 -0.00305916 53
15819 115 C 20.8673 22.956 93.2217 -0.000547553 0.00113766 0.000701646 53
15820 116 C 20.8103 23.6278 94.5864 -0.00162617 -7.19529e-05 -0.00335136 53
15821 117 C 21.5757 22.8441 95.7008 -0.00237113 -0.00293668 -0.00275471 53
15822 118 C 20.1243 15.1372 82.3531 0.00260514 0.00169698 0.00459314 53
15823 119 C 20.3408 15.321 83.8418 -0.000563169 -0.00219037 -0.00356531 53
15824 120 C 21.113 14.1185 84.3985 -0.00159838 0.000789015 -0.000390653 53
15825 121 C 21.5084 14.3644 85.8822 0.000266981 -0.00163056 0.00201945 53
15826 122 C 20.5207 13.9061 86.9685 0.00513448 0.000122331 -0.000544284 53
15827 123 C 21.2362 14.2487 88.2826 -0.00112653 0.00584364 -0.00279663 53
15828 124 C 20.4242 13.9956 89.5633 0.00148544 0.00291401 0.00189481 53
15829 125 C 21.2539 14.2321 90.8537 -0.00163326 0.00225505 -0.00109705 53
15830 126 C 20.4097 13.8569 92.0693 0.00260664 0.00486349 -0.00429429 53
15831 127 C 21.2074 14.1101 93.3545 -0.00272352 0.00257622 -0.00239244 53
15832 128 C 20.4051 13.8058 94.6714 -0.00446213 0.0026569 -0.00162352 53
15833 129 C 21.2393 14.1424 95.8955 -0.00119627 0.00244081 0.000901158 53
15834 130 F 16.4808 19.7044 73.1193 -0.00180929 0.00202153 -0.0017924 53
15835 131 H 20.7919 22.4675 79.6696 0.0040925 -0.0081855 0.00686791 53
15836 132 H 20.8854 22.1986 77.2413 0.00850433 -0.00837603 -0.0064401 53
15837 133 H 19.6898 20.433 76.1587 -0.0133007 -0.00861105 -0.00339016 53
15838 134 H 13.234 18.5252 79.7394 -0.00111728 0.0292909 0.00566238 53
15839 135 H 13.3935 18.3604 77.2943 0.00137671 0.00919493 0.000446588 53
15840 136 H 15.5448 18.392 76.1985 0.0197929 -0.00406676 0.00272987 53
15841 137 H 20.4533 14.3402 80.039 -0.000749623 -0.00894883 -0.00721462 53
15842 138 H 20.4556 14.352 77.6312 -0.00793 -0.00225524 0.00302948 53
15843 139 H 19.4747 16.1342 76.4111 0.00849687 0.0122504 0.000908551 53
15844 140 H 18.3887 15.1034 71.3676 0.00210351 -0.000995855 -0.00155885 53
15845 141 H 18.8685 15.8571 73.6755 -0.00412231 -0.0096298 -0.0052501 53
15846 142 H 14.3709 11.4144 67.3469 -0.00494405 0.00786806 0.0130921 53
15847 143 H 14.4503 11.2155 64.9141 7.67024e-05 0.00372696 -0.00763236 53
15848 144 H 15.0992 13.5245 68.491 0.017376 0.00117792 -0.000645553 53
15849 145 H 20.9931 15.2662 66.7084 0.000923671 -0.00304019 0.00754606 53
15850 146 H 20.8425 15.3624 64.2663 -0.00135194 -0.00340388 -0.000746894 53
15851 147 H 18.9734 15.7037 68.1369 -0.00956445 -0.000387203 0.000733648 53
15852 148 H 13.7649 19.8976 66.8599 -0.00919881 0.00276653 -0.00451894 53
15853 149 H 13.6484 19.698 64.4462 -0.00445502 0.00182156 0.0119155 53
15854 150 H 16.0474 15.5708 63.3919 -0.00171735 -0.00559265 0.000613601 53
15855 151 H 14.8804 18.1151 68.1754 -0.00610827 0.00284022 0.000352821 53
15856 152 H 18.0405 18.6303 81.2235 0.0178502 -0.00626509 -0.00226097 53
15857 153 H 17.4847 17.2597 62.7546 -0.00392056 0.00292684 -0.00699665 53
15858 154 H 19.0988 17.5341 62.1014 0.00372647 -0.000736796 0.0184707 53
15859 155 H 17.0583 17.3413 60.4989 -0.00576198 -0.00288352 0.00879468 53
15860 156 H 16.8965 15.6746 61.0808 -0.000819741 -0.000981475 0.00452239 53
15861 157 H 19.6349 15.9839 60.171 -0.000643683 0.00184199 0.00705858 53
15862 158 H 18.7415 16.9248 59.0161 -0.00306612 0.000107389 0.00407862 53
15863 159 H 18.3724 13.9754 59.5649 -0.00905843 0.00221961 0.00484637 53
15864 160 H 18.9699 14.799 58.1285 -0.00642407 -0.00758139 -0.00708194 53
15865 161 H 16.0811 15.3516 59.0968 -0.0055128 -0.0222291 0.0155509 53
15866 162 H 16.4802 13.7554 58.4083 0.00185444 -0.00270023 -0.00630101 53
15867 163 H 16.8951 16.4628 56.906 0.00703705 -0.00497523 0.0105393 53
15868 164 H 15.4448 15.4567 56.8092 -0.00169158 0.0116271 0.00698196 53
15869 165 H 16.954 13.5813 55.9873 -0.000970057 0.00394376 -0.00440772 53
15870 166 H 18.3066 14.7421 56.0115 0.00255404 -0.015711 0.00225172 53
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15872 168 H 15.7867 15.1779 54.3484 0.000575325 0.00833435 0.00887621 53
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15874 170 H 18.6603 14.5442 53.4702 -0.00439692 -0.00446231 0.0245005 53
15875 171 H 17.4723 16.2698 52.1073 -0.00860383 -0.00021089 0.00201408 53
15876 172 H 16.0843 15.1596 51.9894 -0.00139494 -0.00291019 -0.00986206 53
15877 173 H 17.4317 13.5041 50.7294 -0.00623386 -0.0010623 0.00462866 53
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15880 176 H 18.1888 15.0078 48.7502 -0.00438765 0.00414664 -0.00587559 53
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15890 186 H 19.2398 10.075 59.6141 0.00536139 -0.00693334 -0.0085153 53
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15893 189 H 16.5753 8.8848 58.5563 0.0015665 0.000571256 0.0121019 53
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15895 191 H 18.7675 10.4445 57.0441 0.000406762 -0.000842732 0.00347092 53
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15899 195 H 18.5502 10.3846 54.5863 -0.00286563 0.00142436 -0.00715309 53
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15903 199 H 17.9548 10.8486 52.1323 0.00500252 -0.0130142 0.00558005 53
15904 200 H 15.5547 9.34923 50.9936 0.00639165 -0.0210147 0.00407349 53
15905 201 H 16.6758 10.3335 49.9943 0.00242278 0.00117567 0.00122579 53
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15909 205 H 12.0978 17.929 60.7347 -0.00203491 0.00929151 0.00401899 53
15910 206 H 13.5421 19.0074 60.9021 0.00346474 -0.00284942 0.0113918 53
15911 207 H 15.0133 17.1785 60.2943 0.00251239 -0.00353899 -0.00351386 53
15912 208 H 13.6454 16.075 60.0619 0.00616077 -0.000738035 0.0111842 53
15913 209 H 14.008 18.6818 58.4309 -0.0047499 0.00231179 0.00396178 53
15914 210 H 14.7257 17.1059 57.9456 0.00402651 0.00508014 0.00356736 53
15915 211 H 12.52 16.0934 57.8719 0.00301727 -0.000596214 0.01609 53
15916 212 H 11.7025 17.6891 58.2153 -0.00325881 -0.00818198 0.000959102 53
15917 213 H 12.6669 18.6853 56.2438 -0.00366058 0.000839686 0.0054696 53
15918 214 H 13.6652 17.1907 55.9834 -0.00338599 -0.0106037 -0.000242352 53
15919 215 H 11.7026 15.9618 55.4355 -0.00116939 -0.00113616 0.0259513 53
15920 216 H 10.646 17.2337 55.8238 -0.00073226 -0.00075962 -0.00739997 53
15921 217 H 10.7346 17.5321 53.4369 0.00337727 -0.000584926 -0.00057829 53
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15923 219 H 13.7501 16.987 53.5658 -0.00954973 -0.00476668 0.0170377 53
15924 220 H 12.5243 15.8773 52.9606 -0.0049897 0.000854181 -0.006508 53
15925 221 H 12.0344 17.3235 51.0521 -0.0105273 -0.00757036 0.0162668 53
15926 222 H 12.993 18.6268 51.7347 -0.0221695 -0.00208424 0.00231993 53
15927 223 H 15.0699 17.1435 51.4387 0.00574622 0.00665417 -0.00716666 53
15928 224 H 14.0819 15.8557 50.8035 -0.00822399 0.00461931 -0.012455 53
15929 225 H 14.1763 18.5576 49.4788 -0.00742913 -0.00437758 0.0136863 53
15930 226 H 15.1455 17.1309 48.9081 -0.00193728 -0.00688062 0.00481959 53
15931 227 H 13.3889 17.0983 48.8265 -0.00223813 0.00684566 -0.00704854 53
15932 228 H 13.5728 19.814 81.6515 0.00439869 0.00675812 0.00687429 53
15933 229 H 13.2437 18.1027 81.7999 0.00524356 0.0032661 -0.0204168 53
15934 230 H 14.1536 17.7685 83.9147 -0.00568089 -0.00337431 0.00234943 53
15935 231 H 14.7517 19.3959 84.0862 0.000709211 0.0103983 -0.00458974 53
15936 232 H 12.3569 20.2546 84.1924 0.000747228 0.00421894 0.0129457 53
15937 233 H 11.7724 18.8088 83.5306 0.012693 -0.0106662 -0.00917971 53
15938 234 H 11.287 19.1309 85.9202 -0.00338304 0.00800505 -0.0146742 53
15939 235 H 12.1298 17.6119 85.582 -0.00939018 -0.000357609 -0.0113612 53
15940 236 H 14.1602 18.3466 86.5853 0.00295159 0.00563377 0.0157338 53
15941 237 H 13.4743 20.0104 86.6455 0.00344097 0.000672715 0.00927727 53
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16310 2 C 27.8611 21.8128 78.3975 -0.00132405 0.00607389 -0.000156328 55
16311 3 C 27.3364 20.6219 77.8846 0.000588153 -0.000186493 0.00135852 55
16312 4 C 26.7732 19.6632 78.7496 -0.00170097 0.000619666 2.61668e-05 55
16313 5 C 26.7457 19.8677 80.1292 -0.0013879 0.00116332 0.00144915 55
16314 6 C 27.3306 21.0472 80.6827 -0.00300774 -0.000951001 0.0013521 55
16315 7 C 22.2126 18.4612 80.0212 0.00419011 0.00141611 -0.00213928 55
16316 8 C 22.3171 18.204 78.6465 0.00364017 0.00544642 -0.000468003 55
16317 9 C 23.5919 18.161 78.0636 0.00335993 0.00183574 -0.000619766 55
16318 10 C 24.7575 18.3213 78.8332 0.00243561 -0.00222094 -0.00237635 55
16319 11 C 24.6474 18.5993 80.1991 0.00365127 0.00324903 0.00088357 55
16320 12 C 23.3633 18.7349 80.801 -0.0024324 -0.00229302 -0.00183256 55
16321 13 C 27.9977 15.3266 80.7325 -0.00128133 -0.00336793 0.00276071 55
16322 14 C 28.0371 15.1986 79.3255 0.00423277 0.0034287 0.00247335 55
16323 15 C 27.4688 16.1566 78.5154 -0.000488388 2.52982e-05 -0.00442716 55
16324 16 C 26.8427 17.2663 79.1251 -0.0040408 -0.0023682 0.00403329 55
16325 17 C 26.1541 18.3696 78.3176 0.00139011 0.00303857 0.00263474 55
16326 18 O 27.2674 16.5672 82.7194 4.48398e-05 0.000583678 0.00270665 55
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16328 20 O 27.3529 21.2816 82.0356 0.00278285 0.00149573 0.0019992 55
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16330 22 C 26.1429 18.0974 76.9227 -0.00048464 0.00166192 -0.00140711 55
16331 23 C 25.9495 17.7161 75.7934 0.00410833 -0.00406526 -0.00354354 55
16332 24 C 25.5807 17.2414 74.5278 -0.00607647 -0.00157325 0.00499126 55
16333 25 C 25.5416 15.8578 74.2492 -0.0030257 0.00359214 -0.000939741 55
16334 26 C 25.0522 15.4091 73.0197 0.00131425 -0.000960285 -0.000316369 55
16335 27 C 24.5061 16.3407 72.1383 0.00134588 0.000347061 -0.0011003 55
16336 28 C 24.5026 17.6974 72.4188 -0.00429124 -0.000602147 -0.00283306 55
16337 29 C 25.0805 18.1453 73.5967 -0.00282791 0.000822884 -0.00332505 55
16338 30 C 24.1456 15.9902 70.8105 -0.00115876 -0.00425128 -0.00251847 55
16339 31 C 23.9229 15.8621 69.6178 0.000155149 0.00284372 0.00171049 55
16340 32 C 22.2975 12.3154 67.6305 -0.00398694 -7.90193e-05 0.00211509 55
16341 33 C 22.5092 12.2044 66.2406 0.00251288 0.00153575 -0.00128928 55
16342 34 C 22.9957 13.3042 65.5129 0.00164109 -0.00395741 -0.00467844 55
16343 35 C 23.3322 14.4775 66.2285 -3.24584e-05 0.00289833 -0.00567674 55
16344 36 C 23.2606 14.5279 67.6329 0.00158769 -0.000531364 0.000624394 55
16345 37 C 22.7281 13.445 68.3468 -0.00117153 0.0016104 -0.00196063 55
16346 38 C 23.9163 15.8318 68.1745 -0.000965609 0.00149907 0.00129644 55
16347 39 C 27.6844 15.9046 67.3852 -0.000875555 0.0024383 0.0024058 55
16348 40 C 27.5997 16.0358 65.9671 0.00116423 -0.00128039 -0.00189022 55
16349 41 C 26.3603 16.0069 65.3461 0.00386539 -0.000301556 5.69381e-05 55
16350 42 C 25.2164 15.9182 66.1303 -0.00331797 -0.00122466 0.000646052 55
16351 43 C 25.2761 15.8661 67.5217 -0.00223451 -0.00317677 0.00112543 55
16352 44 C 26.5394 15.8636 68.1909 0.002779 0.0019798 -0.000420971 55
16353 45 C 21.7365 18.9973 67.5362 -0.00052129 -0.000213453 -0.000523077 55
16354 46 C 21.7339 18.9616 66.1338 -0.00278827 0.000608998 -0.000583452 55
16355 47 C 22.4221 17.9515 65.4748 0.00250291 0.00565037 0.00189542 55
16356 48 C 23.0388 16.9559 66.2104 -0.00472779 9.59101e-05 0.00320775 55
16357 49 C 23.7974 15.7726 65.5717 -0.00289106 0.00239488 0.00140041 55
16358 50 C 23.106 17.0001 67.5967 -0.000955171 -0.00276654 -0.00180426 55
16359 51 C 22.4446 18.0233 68.2692 -0.00244032 0.000400779 0.00570279 55
16360 52 O 26.3052 16.2787 64.0089 -0.00411956 -0.0034862 0.00045412 55
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16363 55 C 26.0267 18.7404 80.9068 0.0047028 0.00304305 -0.00759684 55
16364 56 C 26.8084 17.4485 80.5078 -0.000415884 0.00033656 0.00108796 55
16365 57 C 25.979 15.3096 63.0259 0.000749895 0.0022371 0.000420903 55
16366 58 C 26.0989 16.013 61.6799 0.00510483 0.00222438 0.00468512 55
16367 59 C 25.2336 15.3602 60.5683 0.00386412 0.005396 0.00174433 55
16368 60 C 25.5722 15.769 59.1369 -0.00257954 -0.00119861 0.000867035 55
16369 61 C 24.5959 15.1022 58.1125 0.00206558 0.00212441 -0.00410199 55
16370 62 C 24.9185 15.5299 56.6708 0.00230511 0.00151697 -0.00092076 55
16371 63 C 24.2057 14.7603 55.5696 -0.000881793 -0.00232241 -0.00180957 55
16372 64 C 24.6706 15.2786 54.1656 -0.00283499 0.00214909 0.00244071 55
16373 65 C 24.1147 14.3514 53.0557 -0.00205246 -0.00127802 -0.00262168 55
16374 66 C 24.5507 14.8456 51.6431 -0.00256962 0.00415573 -0.00434573 55
16375 67 C 23.8104 14.1331 50.463 0.00242919 0.00445461 -0.00323507 55
16376 68 C 24.2879 14.709 49.0948 0.000762343 -0.00107651 -0.00094407 55
16377 69 F 25.129 14.0664 72.7709 -0.000109414 0.00238323 -0.00119525 55
16378 70 C 23.5817 11.9069 63.5951 0.00674663 0.000543914 -0.00213007 55
16379 71 C 24.3051 12.2464 62.2313 0.00145404 0.00465302 -0.000306869 55
16380 72 C 24.2138 11.0238 61.3065 0.0001523 -0.00200524 -0.000212566 55
16381 73 C 24.8843 11.3415 59.9973 -0.00130513 -0.000350489 0.00210289 55
16382 74 C 24.4244 10.4459 58.8809 0.00387062 0.000977243 -0.00640676 55
16383 75 C 25.0018 10.9393 57.5295 0.000889712 -0.00108621 -0.001338 55
16384 76 C 24.8114 9.95889 56.3939 0.00118446 0.00135102 -0.0034285 55
16385 77 C 24.9257 10.6784 55.0445 -0.000848124 -2.38676e-05 -0.0040819 55
16386 78 C 24.6443 9.7211 53.9124 -0.000766176 -2.09106e-05 -0.000355994 55
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16388 80 C 24.1961 9.24596 51.4796 0.00247129 0.000211989 -0.00125355 55
16389 81 C 23.7088 9.77451 50.1421 0.00200649 0.00414501 0.00189033 55
16390 82 C 21.4848 18.1204 63.1702 0.00353005 0.00136819 -0.0019884 55
16391 83 C 21.8942 17.4136 61.8832 -0.0017212 0.00310714 -0.000764326 55
16392 84 C 21.5683 18.2895 60.6633 -0.00115401 -0.00108598 0.0010394 55
16393 85 C 21.9813 17.7226 59.2985 0.00260976 -0.00285817 0.00077337 55
16394 86 C 21.6014 18.728 58.1519 0.000217459 0.00164762 -0.00101108 55
16395 87 C 21.6637 18.0837 56.7487 0.000389012 -0.00198562 0.000104867 55
16396 88 C 20.4815 17.1455 56.3992 -0.00469809 0.00335551 0.000322786 55
16397 89 C 20.2374 17.0662 54.8647 0.00409741 -0.00524661 -0.00242075 55
16398 90 C 21.48 16.9002 53.9195 -6.01186e-05 -0.00413251 -0.00333961 55
16399 91 C 21.0708 16.5279 52.4778 -0.00132023 0.00207944 -0.00265634 55
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16613 3 C 31.0975 27.6983 78.0537 0.00274805 0.00120934 -0.000788066 56
16614 4 C 30.4991 26.6298 78.7443 5.04534e-05 0.00313738 0.000506987 56
16615 5 C 30.4718 26.6096 80.1795 -0.00108975 0.000990225 -0.00014876 56
16616 6 C 30.9801 27.7125 80.8895 0.000607125 -0.00063674 0.00234155 56
16617 7 C 25.9354 25.524 80.0769 0.002679 0.00353933 -0.00106417 56
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16620 10 C 28.3981 25.3889 78.7427 -0.0015768 0.00277957 0.00210945 56
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16622 12 C 27.1212 25.4943 80.866 -0.000985063 -0.000218019 0.00139857 56
16623 13 C 31.9028 22.1714 79.9922 0.000310453 -0.00266093 -0.000348326 56
16624 14 C 31.875 22.2051 78.5984 -0.00441655 0.00460723 0.0023793 56
16625 15 C 31.2583 23.2677 77.9349 -0.00323573 0.000382045 0.00391549 56
16626 16 C 30.528 24.203 78.709 0.000938404 -0.000502354 0.00464112 56
16627 17 C 29.8286 25.4103 78.1234 -0.00494425 -0.00201057 0.00396893 56
16628 18 O 31.2972 23.0402 82.1405 0.00312275 0.00630948 -0.00385061 56
16629 19 O 27.039 25.6801 82.2617 -0.00189779 -0.000896958 -0.00160827 56
16630 20 O 30.8685 27.7406 82.2912 0.00317974 -0.00181574 0.000431675 56
16631 21 C 31.216 23.1343 80.7664 -0.00448425 -0.00119861 0.000105836 56
16632 22 C 29.8088 25.3741 76.6539 0.00285847 -0.00214754 -0.000280073 56
16633 23 C 29.7558 25.1497 75.4693 -0.00227947 -0.00323436 -0.000556075 56
16634 24 C 29.6086 24.7451 74.1074 -0.000591081 -0.00192964 -0.0011497 56
16635 25 C 29.4784 25.6387 73.0474 -0.00166616 0.00128511 0.00259916 56
16636 26 C 29.0781 25.1754 71.7774 -0.00228339 0.00306333 0.00251585 56
16637 27 C 28.8527 23.8133 71.5754 -0.00298013 -0.000112931 -0.000868229 56
16638 28 C 29.0906 22.8619 72.6081 0.00249507 -0.00460089 0.00119177 56
16639 29 C 29.4619 23.3557 73.88 -0.000867272 0.00427909 0.00132512 56
16640 30 C 28.4736 23.3736 70.2945 0.0035994 -0.00316255 0.000752144 56
16641 31 C 28.1806 23.0284 69.1486 0.00158544 0.00242461 -0.00181795 56
16642 32 C 25.8397 19.5887 67.5247 -0.00427053 -0.00420007 0.00178309 56
16643 33 C 25.7797 19.435 66.1344 -0.00189875 -0.00137327 0.00126528 56
16644 34 C 26.4722 20.3162 65.3104 0.00129698 -0.00403358 -0.000649374 56
16645 35 C 27.1811 21.403 65.8946 0.00211029 -0.00117834 -0.000593524 56
16646 36 C 27.2291 21.5689 67.2768 -0.0045444 0.00273462 -0.00105926 56
16647 37 C 26.5658 20.6417 68.1288 0.00109429 -0.00266653 -0.00158256 56
16648 38 C 27.9983 22.8134 67.7153 -0.000483346 -0.00212731 0.000474342 56
16649 39 C 31.7862 22.8677 66.6906 -0.00243798 -0.000788703 -0.004341 56
16650 40 C 31.6218 22.7604 65.3029 0.00442316 0.00333582 0.00294272 56
16651 41 C 30.3303 22.6793 64.7751 -0.0010716 0.00211848 0.00229401 56
16652 42 C 29.2379 22.6272 65.5969 0.00143386 -0.000943847 -0.000597647 56
16653 43 C 29.3874 22.7484 66.9635 0.00207621 -0.00142944 0.00253575 56
16654 44 C 30.6599 22.8325 67.5207 0.00304974 -0.00034339 0.00168569 56
16655 45 C 26.1955 26.1365 66.9542 0.000201283 2.84011e-05 -0.000300629 56
16656 46 C 26.0819 26.0078 65.5752 0.00795081 0.00048202 0.00172456 56
16657 47 C 26.5785 24.9149 64.89 -0.00153829 0.00443204 0.00103441 56
16658 48 C 27.1605 23.8561 65.6345 -0.00236056 0.00385436 -0.00846451 56
16659 49 C 27.8088 22.5581 65.0949 0.00124017 1.04638e-06 0.000881606 56
16660 50 C 27.2973 23.9896 67.0416 0.00340369 -0.000310164 0.00145041 56
16661 51 C 26.8263 25.1405 67.684 0.00310656 -0.000628804 -0.00342532 56
16662 52 O 30.0524 22.8471 63.4687 -0.0018958 0.00144038 0.00429639 56
16663 53 O 26.5128 20.0572 63.96 0.00282437 0.00516919 -0.00282312 56
16664 54 O 26.4321 24.9123 63.5492 0.00291544 0.000299833 0.001314 56
16665 55 C 29.7935 25.4307 80.7796 -0.00267888 -0.00430599 0.0012091 56
16666 56 C 30.5301 24.1915 80.1129 -6.21224e-05 0.00294435 0.00231419 56
16667 57 C 30.5872 21.9976 62.4953 -0.000937727 -0.00100363 0.00470151 56
16668 58 C 29.6437 22.1695 61.3014 0.00132041 -0.00390188 0.00522241 56
16669 59 C 30.2077 21.6433 59.9519 0.00579661 0.00165711 0.000129063 56
16670 60 C 29.2923 22.0521 58.7964 -0.000305136 0.00329462 0.00524058 56
16671 61 C 29.8249 21.5664 57.4238 0.00107821 -0.000228821 0.00346606 56
16672 62 C 28.7678 21.7919 56.3339 0.00351774 0.00104592 0.00165415 56
16673 63 C 29.3077 21.4426 54.9427 0.000154436 0.00385492 -0.00376405 56
16674 64 C 28.2311 21.7574 53.8539 -0.00109371 0.00140314 0.000558954 56
16675 65 C 28.9228 22.0435 52.5082 -0.00329329 0.000439546 -0.000727349 56
16676 66 C 27.9719 21.9983 51.3704 -0.0024696 -0.00251348 -0.00304191 56
16677 67 C 28.6783 22.1377 50.0403 0.000209329 -0.00173 0.0010893 56
16678 68 C 27.716 22.0434 48.863 -0.000463669 -0.000851854 -0.00070404 56
16679 69 F 28.8026 26.0676 70.7803 0.00136609 -0.000330911 -0.00277985 56
16680 70 C 25.275 20.1075 63.2279 0.000333702 -0.00150834 -0.00377354 56
16681 71 C 25.4931 21.1963 62.1585 -0.000234676 -0.000736414 0.00271015 56
16682 72 C 26.0143 20.645 60.8081 -0.00109197 -0.000181948 0.00157314 56
16683 73 C 24.9714 19.7588 60.1085 -0.00622728 -0.00418529 0.00207074 56
16684 74 C 25.2127 19.4837 58.6468 -0.000189435 0.00106114 -0.00278389 56
16685 75 C 24.9366 20.698 57.7514 0.00274178 0.0039685 -0.00545561 56
16686 76 C 24.8322 20.2951 56.2639 -0.00415759 -0.00195967 0.0016005 56
16687 77 C 24.2153 21.4184 55.3927 -0.00127253 -0.00209406 -0.00626868 56
16688 78 C 23.75 20.9395 54.0056 0.0028966 -0.000562884 0.00321693 56
16689 79 C 24.9178 20.6277 53.0394 0.00237345 -0.00191913 -0.000612419 56
16690 80 C 24.4787 20.1496 51.6099 -0.00502942 -0.000796239 0.00201979 56
16691 81 C 23.6758 18.8507 51.6621 0.0015475 0.000108542 -0.00185453 56
16692 82 C 27.4875 24.6418 62.6348 -0.0010952 -0.000894768 -0.00272068 56
16693 83 C 27.6973 25.8006 61.6564 0.000243844 0.00194471 0.000833528 56
16694 84 C 27.5123 25.4858 60.1832 0.00266549 0.00191239 -0.000277305 56
16695 85 C 28.6495 26.0864 59.3111 -0.00135174 0.00138418 0.00129822 56
16696 86 C 28.3373 25.9943 57.793 -0.00435018 0.00312702 0.00147163 56
16697 87 C 29.5253 26.4186 56.8394 -0.000988871 -0.00186979 -0.000822767 56
16698 88 C 29.0824 26.5245 55.3535 0.000815553 1.40915e-06 -0.00224338 56
16699 89 C 28.6769 25.269 54.5498 0.00192387 -0.000379116 0.00231987 56
16700 90 C 28.0118 25.6072 53.2027 0.00340343 0.00383948 -0.00223994 56
16701 91 C 28.9257 26.0565 52.0386 0.00294768 -0.00165466 0.000448416 56
16702 92 C 28.1271 26.1178 50.7481 0.00290878 -0.0020282 -0.00164142 56
16703 93 C 29.0137 26.3971 49.5021 -0.00189959 -0.00071017 0.00147801 56
16704 94 C 25.7184 25.7236 82.8641 0.00122528 -0.00139786 -0.00115486 56
16705 95 C 25.768 25.6033 84.4103 -0.00012259 -0.00325451 -0.00177183 56
16706 96 C 24.3344 25.8722 84.9941 0.00378457 0.00360618 0.00477501 56
16707 97 C 24.4023 26.1104 86.509 -0.000130926 -0.00238457 0.00403287 56
16708 98 C 24.7181 24.8202 87.2671 -0.00172215 -0.00504514 0.00172155 56
16709 99 C 24.513 24.8659 88.8105 -0.000851159 -0.00184341 -0.0012174 56
16710 100 C 24.9182 26.1917 89.4449 -0.000353055 -0.00603202 -0.00226632 56
16711 101 C 25.462 26.1067 90.8621 -0.000756666 2.82777e-05 0.00127926 56
16712 102 C 24.4658 25.581 91.9003 -0.00426172 -0.000999416 0.000388712 56
16713 103 C 25.0853 25.5582 93.3083 -0.00101367 -0.000262387 -0.00183984 56
16714 104 C 24.0744 25.2899 94.3909 0.00270612 -0.000293743 -0.00254427 56
16715 105 C 24.7616 24.9191 95.7264 -0.0041119 -0.00675993 -0.00154038 56
16716 106 C 30.9104 28.9359 83.0753 0.00331549 0.000534878 -0.000945868 56
16717 107 C 32.3261 29.3829 83.368 0.00154125 0.00286291 -0.000532443 56
16718 108 C 32.3857 30.2775 84.6263 -0.00534687 0.00197273 0.00071794 56
16719 109 C 32.2889 29.4972 85.9506 -0.00488479 -0.00357516 0.00164609 56
16720 110 C 32.3625 30.4569 87.1346 0.00405432 0.00238482 -0.00724759 56
16721 111 C 32.2725 29.6931 88.4494 -0.00310936 0.00279886 0.0036587 56
16722 112 C 32.3522 30.5348 89.703 -0.00279408 0.00585759 0.000811959 56
16723 113 C 32.4493 29.6767 90.9624 -0.00454391 0.00224182 -0.000253632 56
16724 114 C 32.2737 30.4501 92.3173 -0.00248144 -0.00165744 0.00251954 56
16725 115 C 32.6207 29.5751 93.5368 0.00302583 0.00497709 -0.00462189 56
16726 116 C 32.382 30.2945 94.833 0.000376 0.00157062 0.000633916 56
16727 117 C 32.7824 29.4492 96.0472 -0.00346061 -0.000350154 0.000474474 56
16728 118 C 32.4055 22.3383 82.7367 -6.11534e-05 -0.00569216 -0.000877421 56
16729 119 C 32.3009 22.1716 84.2677 0.000390163 0.00118095 0.00303891 56
16730 120 C 32.8857 20.829 84.7069 0.00321541 0.00141636 0.00135406 56
16731 121 C 33.4393 20.6851 86.1361 0.00336928 -0.00329009 0.00192318 56
16732 122 C 32.6583 21.3902 87.2252 -0.0010928 -0.00317407 0.00317222 56
16733 123 C 33.2061 20.9872 88.6131 0.00524017 -0.00330287 -0.00226292 56
16734 124 C 32.7031 21.9195 89.7286 0.00181627 0.000169439 0.000401644 56
16735 125 C 33.2406 21.5617 91.1435 0.00492148 0.00289811 0.00402469 56
16736 126 C 32.4813 20.4042 91.8116 -0.00093421 -0.00476018 -0.000203065 56
16737 127 C 32.9929 20.1589 93.2698 0.00102693 0.00221965 0.000238879 56
16738 128 C 32.831 21.3287 94.2652 -0.00187149 -5.33312e-05 -0.00248244 56
16739 129 C 33.1667 20.9547 95.7023 0.00187274 -0.00358597 -0.000377551 56
16740 130 F 29.5852 26.9817 73.2595 -0.00145775 0.00354493 -0.00288441 56
16741 131 H 32.1183 29.6176 80.6282 0.0154452 -0.0108171 0.00595374 56
16742 132 H 32.2219 29.5097 78.254 0.007974 -0.000989184 0.00188428 56
16743 133 H 31.1668 27.7465 76.971 0.0150123 3.46735e-05 -7.03747e-05 56
16744 134 H 24.9807 25.6764 80.5716 -0.00113966 -0.00531428 -0.0057515 56
16745 135 H 25.0841 25.4414 78.0445 0.00676523 4.46935e-05 0.000235828 56
16746 136 H 27.2333 25.3831 76.9212 -0.000676321 0.00740425 -0.0055643 56
16747 137 H 32.4016 21.3187 80.4434 0.00147121 0.000758455 0.00484056 56
16748 138 H 32.3865 21.447 78.0126 0.00361523 0.00565765 0.00803561 56
16749 139 H 31.3259 23.3102 76.8518 0.00610495 0.00898902 0.00483639 56
16750 140 H 28.9616 21.7902 72.4885 0.0143229 -0.0049031 -0.00873451 56
16751 141 H 29.5619 22.6239 74.6762 -0.0252645 -0.00751554 -0.00639986 56
16752 142 H 25.428 18.798 68.1449 -0.00716178 -0.00535684 -0.00161554 56
16753 143 H 25.2555 18.5793 65.7192 -0.0106535 0.00481418 -0.000426204 56
16754 144 H 26.5634 20.797 69.2036 -0.00822396 0.000302536 -0.00202337 56
16755 145 H 32.787 23.0494 67.0711 -0.00267199 -0.000846796 -0.00370259 56
16756 146 H 32.4563 22.7688 64.608 0.00265943 -0.00932903 0.000641814 56
16757 147 H 30.7828 23.0813 68.5707 -0.00245244 0.00288828 0.00157094 56
16758 148 H 25.8022 26.9989 67.4842 0.0133856 0.00436758 0.00242403 56
16759 149 H 25.6056 26.8307 65.0505 0.0110811 -0.00456841 -0.00899832 56
16760 150 H 27.737 22.3914 64.013 0.00575541 -0.00259617 0.000978193 56
16761 151 H 26.961 25.2658 68.7543 -0.00787908 0.00510158 -0.00272627 56
16762 152 H 29.8082 25.3743 81.8751 -0.0149666 -0.0132853 0.000925127 56
16763 153 H 31.6096 22.3194 62.2617 -0.00274713 0.00643688 0.00703486 56
16764 154 H 30.544 20.9306 62.7464 -0.00910386 -0.00287727 -0.00455113 56
16765 155 H 29.3583 23.2262 61.2285 -0.0104163 -0.0073614 0.000974178 56
16766 156 H 28.7018 21.6395 61.4891 3.75996e-05 -0.00152198 0.00550547 56
16767 157 H 30.321 20.5523 59.9331 -0.0129344 -0.000617777 0.0231923 56
16768 158 H 31.2185 22.0318 59.7768 0.00895367 -0.00713851 -0.0011981 56
16769 159 H 29.1497 23.1387 58.7488 0.00210608 0.00384235 0.0106537 56
16770 160 H 28.3063 21.6326 59.0314 0.00621059 -0.0155188 -0.00108304 56
16771 161 H 30.0026 20.4904 57.5417 -0.0259967 -0.00420364 0.00839046 56
16772 162 H 30.7726 22.055 57.1657 0.0105893 -0.0205618 -8.5322e-05 56
16773 163 H 28.5547 22.868 56.3208 -0.00961557 -0.00152648 0.00549618 56
16774 164 H 27.8391 21.2555 56.5644 0.00393157 -0.00533707 -0.011557 56
16775 165 H 29.4579 20.3575 54.8849 0.0120853 0.00484492 0.00915514 56
16776 166 H 30.2737 21.942 54.7982 -0.00244599 0.00451345 -0.0187283 56
16777 167 H 27.6104 22.6311 54.0879 -0.00321156 -0.00123024 0.00475547 56
16778 168 H 27.5133 20.9297 53.7971 0.00222854 -0.00230505 0.0125597 56
16779 169 H 29.6934 21.2781 52.3536 -0.00579008 -0.00255876 0.00167239 56
16780 170 H 29.4073 23.0277 52.5092 -0.0234965 0.0103646 0.00913831 56
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16782 172 H 27.4924 21.0119 51.3955 -0.00116728 -0.0030396 0.00125186 56
16783 173 H 29.5087 21.4227 49.9887 -0.00277871 -0.00409521 -0.013671 56
16784 174 H 29.0921 23.1532 50.0092 -0.000662994 -0.00112758 0.00906428 56
16785 175 H 26.9478 22.8203 48.961 0.00388214 0.002519 0.00661929 56
16786 176 H 27.2008 21.0761 48.8151 0.000298562 -0.000700881 -0.0119977 56
16787 177 H 28.2379 22.2241 47.9152 -0.00354485 -0.000986166 -0.00242759 56
16788 178 H 25.1023 19.1338 62.753 -0.0102221 -0.00158947 0.000245358 56
16789 179 H 24.4052 20.3115 63.8644 0.0137463 0.00678701 0.0118681 56
16790 180 H 24.6147 21.8368 62.0116 -0.00492891 -0.00583099 0.00858379 56
16791 181 H 26.2865 21.8659 62.5128 0.000414956 -0.000824046 0.00142487 56
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16795 185 H 24.0153 20.2967 60.1075 -0.00499677 -0.00199472 0.00449235 56
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16799 189 H 25.7426 21.4404 57.8027 0.0174195 -0.012906 0.00768844 56
16800 190 H 25.8409 20.0361 55.9191 -0.00201605 -0.00606279 0.0109135 56
16801 191 H 24.2851 19.3503 56.1562 0.00625382 -0.00762425 -0.00180957 56
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16805 195 H 23.1623 21.7584 53.5729 0.000652506 -0.00758129 -0.00697988 56
16806 196 H 25.525 21.5355 52.9368 0.0177466 -0.0115133 0.00566672 56
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16809 199 H 25.3605 19.9054 51.0048 0.00784635 0.00242802 0.0195054 56
16810 200 H 22.6721 19.0726 52.0453 0.00903895 0.00964588 0.0121979 56
16811 201 H 23.5133 18.4301 50.6621 0.000811385 -0.00763206 0.00151839 56
16812 202 H 24.128 18.0787 52.2969 -0.00464618 -0.00222067 -0.000264039 56
16813 203 H 28.4386 24.4399 63.1428 0.000358863 -0.000999653 -0.00547393 56
16814 204 H 27.2519 23.7628 62.0223 -0.00101696 -0.00367432 0.00125371 56
16815 205 H 27.0322 26.6253 61.9408 0.0121634 0.00524721 0.0192183 56
16816 206 H 28.7095 26.1753 61.8525 -0.00168616 -0.00120507 0.0169212 56
16817 207 H 27.4079 24.403 60.041 0.0104723 0.00288148 -0.0132676 56
16818 208 H 26.6059 25.964 59.7917 0.0055205 -0.000292517 -0.0096347 56
16819 209 H 28.83 27.1373 59.5688 -0.000232065 0.000940925 0.00232338 56
16820 210 H 29.5912 25.5636 59.5191 -0.0039007 0.0013431 0.0127199 56
16821 211 H 27.9876 24.9969 57.4992 -0.0314656 0.0137145 -0.00230841 56
16822 212 H 27.4623 26.6397 57.6473 -0.00266408 0.0020877 -0.0130824 56
16823 213 H 29.9244 27.3791 57.1881 0.0138308 -0.00630695 -0.00561332 56
16824 214 H 30.2928 25.6399 56.9298 0.00104244 -0.000882937 -0.00968342 56
16825 215 H 28.2198 27.2021 55.3424 0.0125509 0.015033 0.00100871 56
16826 216 H 29.8436 27.0716 54.7837 0.00397965 -0.00505274 -0.00285708 56
16827 217 H 29.5123 24.5704 54.4179 0.000984201 -0.00168832 0.00330145 56
16828 218 H 27.8934 24.7896 55.1495 0.0103856 -0.0138576 0.00255532 56
16829 219 H 27.4576 24.7175 52.8792 0.00394494 0.00195055 0.00202868 56
16830 220 H 27.2577 26.3761 53.4111 -0.0030817 -0.00608221 0.0109903 56
16831 221 H 29.3791 27.0137 52.3246 -0.000951202 -0.000713291 0.00348919 56
16832 222 H 29.7452 25.3453 51.8777 0.00720026 0.00451695 -0.00521472 56
16833 223 H 27.6499 25.1454 50.5747 -0.00558296 0.00325676 -0.00794156 56
16834 224 H 27.3077 26.8454 50.7987 0.000562616 -0.00486034 0.00108586 56
16835 225 H 29.7706 25.6065 49.4277 0.00721351 0.00816616 -0.000186274 56
16836 226 H 28.4405 26.4813 48.5706 -0.00246735 -0.0206082 4.93809e-05 56
16837 227 H 29.5718 27.3331 49.6278 0.00179643 -0.00268237 -0.000215755 56
16838 228 H 25.1798 26.637 82.5828 0.00710154 -0.00282996 -0.0170158 56
16839 229 H 25.1497 24.8633 82.4902 0.00125633 0.00313991 -0.0116424 56
16840 230 H 26.1575 24.6232 84.7119 -0.000287916 -0.00218575 0.00191544 56
16841 231 H 26.491 26.3215 84.8163 -0.00356614 -0.00490142 0.00729862 56
16842 232 H 23.9798 26.7732 84.4785 -0.0183299 -0.00311205 0.00832554 56
16843 233 H 23.6148 25.0663 84.8042 0.00571507 0.00407055 -0.00443311 56
16844 234 H 25.0981 26.915 86.7769 -0.00307112 0.00484097 -0.0100739 56
16845 235 H 23.4137 26.4546 86.8371 -0.00552221 -0.0108653 -0.00332078 56
16846 236 H 24.186 23.952 86.8591 -0.00188838 -0.00564814 0.00321898 56
16847 237 H 25.7809 24.5626 87.18 -6.37035e-05 0.00304919 -0.00171878 56
16848 238 H 23.4575 24.737 89.0801 -0.0017258 0.00487906 -0.00140507 56
16849 239 H 25.035 24.009 89.2538 0.00465075 -0.000764613 -0.00562532 56
16850 240 H 25.751 26.6201 88.8736 0.0052072 -0.00325276 0.00790854 56
16851 241 H 24.0914 26.9096 89.3784 0.00405623 9.02748e-05 0.00896183 56
16852 242 H 26.3974 25.5352 90.9049 0.00238667 0.00516737 0.0014017 56
16853 243 H 25.7343 27.12 91.1823 0.00111694 -0.00166766 0.00506999 56
16854 244 H 23.6013 26.2523 91.8259 0.00398149 0.0089741 -0.00581169 56
16855 245 H 24.1603 24.5583 91.647 -0.00472754 -0.00226406 0.00604886 56
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16914 2 C 35.6588 21.9026 78.2021 -0.000325571 0.00181717 -0.00146356 57
16915 3 C 35.0776 20.7819 77.6072 0.00114098 0.000431481 0.00105679 57
16916 4 C 34.5193 19.795 78.4352 0.000392522 -0.00123122 -0.0015712 57
16917 5 C 34.5674 19.8635 79.8843 -0.00128729 0.00207941 0.00114043 57
16918 6 C 35.1787 21.0145 80.4727 -0.000201906 -0.0033583 0.00233351 57
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16920 8 C 29.9988 18.4724 78.5529 0.00218703 -0.00218048 0.000574712 57
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16924 12 C 31.1732 18.8761 80.6862 0.000989566 0.00541974 -0.0018034 57
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16939 27 C 32.3591 17.0307 71.3695 -0.00349121 -0.000938473 0.000344968 57
16940 28 C 33.5902 16.6263 71.928 -0.00295421 -0.00408055 0.00368917 57
16941 29 C 34.0021 17.0412 73.1899 -0.00877733 -0.00547925 0.00557852 57
16942 30 C 32.1323 16.6425 70.002 0.00348777 0.0033343 0.000398918 57
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16949 37 C 30.6188 13.8656 67.8003 -0.00343794 0.000419024 -0.000481896 57
16950 38 C 31.8461 16.1714 67.3741 0.00282208 -0.00293311 -0.00532863 57
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17005 93 C 26.5397 17.5758 49.1511 0.0015522 0.00422923 0.00159955 57
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17011 99 C 30.072 18.5125 88.1118 0.00247665 -0.00483189 0.00216223 57
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17015 103 C 28.0998 18.4442 92.8526 0.000637455 -0.000881141 -0.00467271 57
17016 104 C 28.2824 18.8887 94.3104 -0.000507767 -0.000382427 -0.00281001 57
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17022 110 C 36.1379 23.7552 86.814 -0.000707613 -0.000815903 2.51556e-05 57
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17038 126 C 36.887 14.1881 92.6645 0.000717989 -0.000669597 0.00082583 57
17039 127 C 37.4919 14.9341 93.8591 -0.000319081 -0.00568919 -0.00122229 57
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17518 2 C 43.5953 21.7141 78.3348 -0.00116762 -3.90235e-05 0.00138846 59
17519 3 C 42.9527 20.6418 77.7769 0.000982251 -0.000377091 0.00596641 59
17520 4 C 42.4125 19.695 78.6005 0.000417818 -0.00149138 -0.000875901 59
17521 5 C 42.3762 19.8308 80.0128 0.00230263 -0.00272892 -0.00404367 59
17522 6 C 43.0454 20.9366 80.5802 0.00373929 0.00196617 -0.00010114 59
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17524 8 C 37.831 18.4765 78.7086 0.00561529 0.00413833 0.000743156 59
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17528 12 C 39.0546 18.7598 80.8055 -0.00229461 -0.00396316 -0.00552859 59
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17530 14 C 43.5804 15.197 78.7256 -0.000973638 0.000564604 -0.00314343 59
17531 15 C 42.9929 16.232 78.0433 0.00576881 -0.0014972 -0.00155605 59
17532 16 C 42.3777 17.2865 78.7567 0.00254932 -1.29837e-05 0.000882257 59
17533 17 C 41.6632 18.4282 78.0847 -0.00631753 0.00130733 -0.00411472 59
17534 18 O 42.9652 16.1093 82.2739 0.0027561 -0.00133387 0.00136283 59
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17536 20 O 43.0326 21.1865 81.9409 -0.000502703 0.00171348 -0.00166887 59
17537 21 C 42.9365 16.2397 80.8846 -0.00375728 -0.00121233 0.00541931 59
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19353 25 C 17.5458 29.2597 73.8611 -0.00298812 -0.00347948 -0.00787869 65
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19355 27 C 16.9045 29.7917 71.6037 -0.00342223 -0.00345021 -0.000946084 65
19356 28 C 17.1431 31.1678 71.8272 0.000506912 0.000409806 0.00162702 65
19357 29 C 17.5867 31.6035 73.045 0.00470534 -0.00331132 0.000865843 65
19358 30 C 16.51 29.4784 70.2955 -0.000746243 0.001445 -0.00148003 65
19359 31 C 16.2736 29.3803 69.1139 0.000402504 -0.000947655 0.000237045 65
19360 32 C 14.2221 26.0461 67.1703 0.00141707 0.00256548 -0.000493364 65
19361 33 C 14.2873 25.9637 65.7627 0.00603042 -0.00142038 -0.00112533 65
19362 34 C 14.9046 26.9723 64.9932 -0.00314666 0.000493217 0.00086379 65
19363 35 C 15.5032 28.0322 65.6512 -0.00164225 -0.000992533 0.00163592 65
19364 36 C 15.4285 28.1422 67.0661 -0.00399971 -0.000251686 -0.00578321 65
19365 37 C 14.7948 27.123 67.8291 -0.000272507 0.000723987 -0.00238851 65
19366 38 C 16.1584 29.3443 67.637 0.00212156 -0.00104397 -0.00752171 65
19367 39 C 19.9288 29.2165 66.9163 0.00042249 -0.00151533 2.84846e-05 65
19368 40 C 19.8878 29.1919 65.5352 -0.00172035 -0.00181301 -0.00227957 65
19369 41 C 18.7018 29.2892 64.8052 -0.000323747 -9.34663e-05 -0.00379561 65
19370 42 C 17.4869 29.3266 65.5305 -0.00144389 7.55018e-05 -0.000840861 65
19371 43 C 17.5546 29.2986 66.9661 -0.00158989 -0.00424423 -0.00481036 65
19372 44 C 18.7417 29.2737 67.6514 0.00144815 0.00293493 -0.00109326 65
19373 45 C 14.3248 32.6522 66.9522 1.99848e-05 -0.00216771 0.00276818 65
19374 46 C 14.3258 32.5924 65.575 -0.00137042 0.00192128 0.00222537 65
19375 47 C 14.8566 31.5082 64.8761 -0.000374164 0.00563996 -0.00323733 65
19376 48 C 15.4159 30.4543 65.6034 -0.00276948 -0.00131435 -0.00304943 65
19377 49 C 16.0859 29.2401 64.9723 -0.00100502 -0.00347862 0.000123091 65
19378 50 C 15.423 30.5394 67.0119 -0.0033818 0.00178628 0.000336562 65
19379 51 C 14.9154 31.6239 67.6893 0.000537255 0.00522848 0.00359282 65
19380 52 O 18.7864 29.2125 63.4618 -0.0025392 0.000276938 -0.00386743 65
19381 53 O 14.9842 26.7874 63.646 -0.000122879 0.00156126 0.00148877 65
19382 54 O 14.6871 31.4403 63.52 -0.000357548 -0.00070835 0.000315047 65
19383 55 C 18.3339 32.2266 80.5066 0.00224275 -0.0017085 0.00338212 65
19384 56 C 19.0474 30.9095 80.1169 -0.000530365 -0.00583511 0.00319193 65
19385 57 C 18.3987 30.2613 62.5697 -0.00151587 -0.00175467 -0.00138704 65
19386 58 C 18.124 29.6087 61.171 -0.000109523 0.000203619 -0.000175824 65
19387 59 C 16.6638 29.0773 61.0919 -0.00266722 -0.00309782 0.000173004 65
19388 60 C 16.3777 28.2386 59.8231 0.0015945 0.00102655 0.00310297 65
19389 61 C 16.6913 29.007 58.546 0.000829531 -0.00158405 0.00095462 65
19390 62 C 16.4756 28.1668 57.2777 0.00269981 -0.00227437 0.00625461 65
19391 63 C 16.6356 29.0188 56.0051 -0.00215367 0.00546521 0.00301465 65
19392 64 C 16.1805 28.2165 54.7668 0.00382713 0.00131071 0.00540282 65
19393 65 C 16.2836 29.1102 53.5118 -0.00511913 -0.00129733 0.000661008 65
19394 66 C 15.8765 28.2914 52.2762 -0.00581617 -0.00184868 0.000258388 65
19395 67 C 16.0834 29.1216 50.9975 0.00351088 -0.00182875 0.00261959 65
19396 68 C 15.6622 28.3274 49.7948 -0.000724331 0.000625506 -0.000229961 65
19397 69 F 16.8324 27.5228 72.3438 -0.00178527 -0.000716703 0.00152949 65
19398 70 C 16.0095 25.8858 63.2167 -0.00284478 -0.000524956 -0.00493711 65
19399 71 C 15.6769 25.3364 61.805 0.000610424 -5.41125e-05 -0.00295281 65
19400 72 C 16.712 24.3173 61.3369 -0.00340935 -0.00110646 0.00129717 65
19401 73 C 16.3979 23.6896 59.9492 0.000998338 0.00261934 0.0014623 65
19402 74 C 16.2806 24.6239 58.7274 0.0034069 -0.00244007 0.00304135 65
19403 75 C 16.0442 23.8389 57.3967 0.0065784 0.000896973 -0.00123991 65
19404 76 C 16.2293 24.6961 56.0954 0.000733292 -0.00404053 0.000628121 65
19405 77 C 16.0025 23.8896 54.8032 0.0024564 0.000857418 0.00219046 65
19406 78 C 16.1059 24.7856 53.5631 0.0012915 -0.00341392 -0.000901645 65
19407 79 C 16.2848 23.9753 52.2805 -0.00263584 0.00106581 0.000841734 65
19408 80 C 16.3699 24.815 51.0074 -0.00371346 -0.00156335 -0.00168572 65
19409 81 C 16.7235 24.0043 49.7655 0.000239468 0.00470484 -0.00255521 65
19410 82 C 13.3508 31.275 63.0811 4.75814e-07 0.00251167 0.000889251 65
19411 83 C 13.3252 30.3163 61.8666 -0.00344914 -0.00226507 0.00682604 65
19412 84 C 13.3733 31.0693 60.5297 -0.000102816 0.000645272 0.00143814 65
19413 85 C 13.1266 30.1936 59.2993 -0.00246244 0.00429188 0.00172456 65
19414 86 C 12.7316 31.1021 58.1282 0.000347326 -0.00156489 0.000480052 65
19415 87 C 12.7443 30.2844 56.8532 -0.00136361 0.00246066 -0.00572108 65
19416 88 C 12.5389 31.141 55.5924 -5.26206e-06 -0.000776597 -0.0044613 65
19417 89 C 12.5683 30.331 54.2847 0.00305089 0.00187915 0.00342317 65
19418 90 C 12.4692 31.295 53.1117 0.00229512 0.00257757 0.000109375 65
19419 91 C 12.4118 30.5416 51.7604 0.00318841 -0.00458028 0.000431615 65
19420 92 C 12.4097 31.5146 50.5841 0.000948774 -0.00524314 -0.00358055 65
19421 93 C 12.5536 30.694 49.29 0.00290619 0.00224007 -0.00713883 65
19422 94 C 14.2646 32.8476 82.4697 -0.000819781 -0.000760052 -0.00382521 65
19423 95 C 14.2102 32.4485 83.9479 0.00590006 -0.00164665 -0.000302319 65
19424 96 C 12.7774 32.566 84.487 -0.00179026 0.00513953 0.00350156 65
19425 97 C 12.6885 32.1005 85.953 0.00440904 0.00116257 0.000539306 65
19426 98 C 13.6531 32.85 86.906 0.00105499 0.00374917 -0.000472537 65
19427 99 C 13.211 32.5295 88.3262 -0.00245542 -0.00190127 -0.00319644 65
19428 100 C 14.0187 33.2046 89.4553 0.00417022 -0.00204348 0.00310463 65
19429 101 C 13.4468 32.8431 90.8146 -0.00134073 0.00387768 -0.00209583 65
19430 102 C 14.3399 33.2978 91.9638 0.00541968 -0.00245115 0.00140675 65
19431 103 C 13.7736 32.7473 93.2705 0.000109782 0.00368933 -0.00336906 65
19432 104 C 14.4924 33.3342 94.4883 0.00265715 -0.000497737 0.00251588 65
19433 105 C 14.0092 32.6019 95.7435 0.00306555 -0.00347705 0.00247983 65
19434 106 C 20.368 35.9597 82.0262 0.00155949 -6.53149e-05 -0.000699471 65
19435 107 C 20.4749 36.0653 83.5534 -0.00387059 0.000789386 -0.00338769 65
19436 108 C 21.2119 37.3615 83.9591 -0.00119602 0.0059749 0.00128324 65
19437 109 C 20.9727 37.8197 85.4252 -0.00528434 0.00104327 0.00165484 65
19438 110 C 21.5862 36.952 86.5574 0.000313825 0.00279232 0.00400053 65
19439 111 C 21.144 37.5448 87.9105 0.00193724 0.000495566 0.0035238 65
19440 112 C 21.8252 36.9141 89.0953 -0.00125362 0.000809392 0.00166212 65
19441 113 C 21.4053 37.6152 90.3961 0.00285083 -7.91521e-05 0.000768929 65
19442 114 C 21.8078 36.9108 91.7087 -0.00246017 0.0010818 0.000686691 65
19443 115 C 21.1401 37.5374 92.9332 0.00345645 -0.00416399 0.00107478 65
19444 116 C 21.4744 36.7413 94.2215 0.000435058 4.185e-05 0.00419031 65
19445 117 C 20.7972 37.2904 95.49 0.00426012 0.00373863 0.000372572 65
19446 118 C 20.3031 28.9928 83.0866 0.00240723 0.00133747 -0.00231326 65
19447 119 C 20.377 29.2249 84.6285 -0.000915784 0.00095961 -0.000955948 65
19448 120 C 20.7612 27.9359 85.37 0.00552144 0.000704036 -0.000861555 65
19449 121 C 20.8768 27.8968 86.8976 0.00233018 0.00201889 -0.00116253 65
19450 122 C 19.6451 28.3989 87.6661 -0.000218856 -0.000682014 0.00304692 65
19451 123 C 19.5283 27.7406 89.0324 0.00104171 0.00240192 0.00151603 65
19452 124 C 20.4307 28.3256 90.1592 0.00087076 -3.93551e-05 0.000271658 65
19453 125 C 20.0338 27.6647 91.4785 -0.00335815 0.00153988 -0.00161818 65
19454 126 C 20.6691 28.31 92.7054 -0.00164175 -0.00264949 0.0023737 65
19455 127 C 20.1764 27.5816 94.0049 -0.00198028 -0.00152623 0.000944567 65
19456 128 C 20.9855 28.0967 95.2214 0.00165043 0.00115154 0.000161506 65
19457 129 C 20.8972 27.1278 96.4266 0.000335778 -0.00347653 -0.000823695 65
19458 130 F 17.7399 28.3967 74.8906 -0.00178157 0.00228649 0.000940707 65
19459 131 H 20.5005 36.4263 79.601 -0.0107506 0.00384537 0.00861796 65
19460 132 H 20.5327 35.9967 77.2737 -0.0010459 0.00271462 0.00246126 65
19461 133 H 19.6312 33.9591 76.3026 -0.00511531 -0.0127233 0.000595977 65
19462 134 H 13.5047 32.5529 80.0667 0.000747822 -0.00560134 0.00301089 65
19463 135 H 13.6257 31.8995 77.7249 0.000945685 0.00438236 -7.04502e-05 65
19464 136 H 15.7383 31.5888 76.669 0.00158133 -0.0035853 0.00120901 65
19465 137 H 20.6121 27.9844 80.9368 0.00157038 0.00465441 0.00883346 65
19466 138 H 20.4689 27.603 78.5129 0.00820022 0.00327084 -0.00298743 65
19467 139 H 19.5453 29.3408 77.0562 0.0122485 0.00580573 0.00182686 65
19468 140 H 16.9297 31.8745 71.0307 0.00421146 0.0138749 0.0126116 65
19469 141 H 17.8816 32.6402 73.1781 0.00787303 -0.00482919 0.00569753 65
19470 142 H 13.7252 25.2888 67.7695 0.000781988 0.00789349 0.00572436 65
19471 143 H 13.8275 25.1429 65.2203 -0.0131232 0.00673942 0.00275987 65
19472 144 H 14.772 27.2483 68.9076 -0.000448002 -0.00536552 -0.00170334 65
19473 145 H 20.8814 29.2298 67.4376 -0.00173568 0.00322288 0.00385843 65
19474 146 H 20.8266 29.1406 64.9917 0.0052555 0.00558273 0.00908193 65
19475 147 H 18.8628 29.2746 68.7307 -0.00174029 -0.00074891 -0.000741589 65
19476 148 H 13.9159 33.5078 67.4815 -0.0086473 0.00323186 -0.0126967 65
19477 149 H 13.7797 33.3668 65.0445 0.0249987 0.00793081 -0.0160752 65
19478 150 H 16.0269 29.1822 63.8784 -0.000150418 0.00558289 -0.000394327 65
19479 151 H 14.9256 31.6797 68.7738 0.00745538 0.00538398 0.00351555 65
19480 152 H 18.2809 32.4154 81.5859 0.00636942 -0.00126105 0.00349984 65
19481 153 H 17.5391 30.8079 62.9768 0.00382188 0.00706376 -0.00193999 65
19482 154 H 19.2228 30.9783 62.469 -0.0099475 0.00845088 0.00230881 65
19483 155 H 18.8605 28.8296 60.9388 0.00635245 0.00516512 0.00364207 65
19484 156 H 18.2474 30.367 60.3879 -0.00347076 -0.000871638 -0.00174997 65
19485 157 H 15.9979 29.9485 61.1236 0.000930238 -0.000411765 0.00188226 65
19486 158 H 16.4891 28.444 61.9704 0.00260725 0.00693018 0.00846112 65
19487 159 H 15.3207 27.9465 59.7922 0.000825119 0.00538066 -0.0120545 65
19488 160 H 16.9344 27.2934 59.8237 -0.00140693 -0.000772295 -0.0187641 65
19489 161 H 17.7418 29.3219 58.5726 -0.000452396 0.00403943 -0.0156929 65
19490 162 H 16.0097 29.8663 58.5271 -0.00303473 -0.00450963 0.0064339 65
19491 163 H 15.4563 27.7667 57.3443 0.00255603 -0.00277717 0.00093748 65
19492 164 H 17.164 27.3166 57.1955 0.00599031 0.00128468 -0.00317929 65
19493 165 H 17.6796 29.3304 55.8774 0.00108262 -0.00689873 -0.000798631 65
19494 166 H 15.9736 29.8888 56.0965 -0.00194866 0.00632572 -0.00372569 65
19495 167 H 15.1391 27.8876 54.8701 0.00141208 0.00993483 0.00856666 65
19496 168 H 16.8358 27.3373 54.7353 -0.000942999 -0.00170858 -0.00861419 65
19497 169 H 17.3159 29.462 53.3936 -0.0102667 0.010235 -0.00994698 65
19498 170 H 15.6292 29.9849 53.6126 0.00407574 0.00564283 4.45241e-05 65
19499 171 H 14.8368 27.9521 52.3614 -0.00355535 -0.00625872 0.010214 65
19500 172 H 16.5739 27.448 52.1997 0.00300671 0.00526036 0.00195333 65
19501 173 H 17.1137 29.482 50.888 0.0049108 -0.00648227 0.000542375 65
19502 174 H 15.4665 30.0271 51.0507 0.00255126 -0.00204232 -0.00495059 65
19503 175 H 15.7963 28.9394 48.8943 -3.36256e-05 0.0027729 0.00133301 65
19504 176 H 14.5931 28.0921 49.867 -0.000655117 -0.00353163 -0.0127546 65
19505 177 H 16.2283 27.397 49.6634 0.00449536 0.00282317 0.00676453 65
19506 178 H 16.9544 26.442 63.1806 -0.00546645 0.00426566 0.000195676 65
19507 179 H 16.0911 25.0116 63.8744 -0.00235013 -0.00224815 -0.00728164 65
19508 180 H 14.7577 24.739 61.8451 0.00452934 -0.00615143 -0.00364761 65
19509 181 H 15.5078 26.1768 61.1206 -0.00774459 1.55188e-05 -0.000823986 65
19510 182 H 17.6714 24.8492 61.3221 -0.0055767 0.00268811 -0.00232321 65
19511 183 H 16.9151 23.5354 62.079 0.00335442 0.0110287 0.012261 65
19512 184 H 17.1995 22.9878 59.6877 -0.00444747 0.00154555 -0.0124366 65
19513 185 H 15.4844 23.0915 60.0551 0.0064407 -0.00549758 0.00258092 65
19514 186 H 15.4684 25.361 58.7478 0.00976176 0.00492655 -0.00786726 65
19515 187 H 17.1814 25.2459 58.6562 0.0133679 -0.0173479 -0.000755619 65
19516 188 H 16.8189 23.067 57.3106 0.00021628 -0.00478029 -0.0074142 65
19517 189 H 15.0443 23.3882 57.4194 0.0045363 0.00502471 -0.00913204 65
19518 190 H 15.5949 25.5889 56.1584 -7.40294e-05 -0.00558628 0.0147402 65
19519 191 H 17.2846 24.995 56.0783 -0.000701852 0.000765581 -0.00325928 65
19520 192 H 16.7354 23.0737 54.7782 0.00935085 0.00667237 0.0138059 65
19521 193 H 14.9831 23.4851 54.7809 -0.00036324 0.00752503 0.0100698 65
19522 194 H 15.199 25.4 53.5047 -0.00322142 -0.0116924 -0.017605 65
19523 195 H 16.9203 25.5074 53.7018 -0.00553242 0.00166488 0.0129633 65
19524 196 H 17.1778 23.3619 52.4529 0.00125347 0.00357467 -0.0105372 65
19525 197 H 15.4086 23.32 52.2011 0.0120597 -0.0198802 0.0118144 65
19526 198 H 15.4263 25.3676 50.9205 -0.00564729 -0.00632498 -0.0107039 65
19527 199 H 17.1397 25.5892 51.1148 0.000117836 -0.00711479 0.0108505 65
19528 200 H 16.6841 24.6621 48.8885 0.00914778 0.012134 0.00261078 65
19529 201 H 17.7481 23.6198 49.842 -0.00831699 -0.0158166 0.00876689 65
19530 202 H 16.0472 23.1587 49.5897 -0.000535956 0.00383842 0.00462267 65
19531 203 H 12.7302 30.7865 63.8425 0.00257725 -0.00616917 -0.0025688 65
19532 204 H 12.8047 32.1988 62.8533 0.0183561 0.0137019 0.00253715 65
19533 205 H 14.1524 29.5965 61.8994 0.0016142 0.00347831 0.0055211 65
19534 206 H 12.411 29.7114 61.9071 0.00806923 -0.0205325 -0.00601716 65
19535 207 H 12.605 31.8523 60.5353 -0.00296901 -0.00209434 -0.0076122 65
19536 208 H 14.3706 31.5253 60.5 0.00319152 -0.00595472 0.00979452 65
19537 209 H 14.0103 29.605 59.0236 0.00500723 0.0130601 0.00700071 65
19538 210 H 12.3072 29.4924 59.5003 0.00490514 -0.00748412 -0.00931504 65
19539 211 H 11.7602 31.5923 58.2673 0.000593922 -0.00030224 -0.00222477 65
19540 212 H 13.429 31.948 58.0888 0.00103098 -0.00249557 -0.00710264 65
19541 213 H 13.6866 29.7453 56.696 -0.00682101 -0.00657817 -0.00749 65
19542 214 H 11.9399 29.543 56.9354 0.00261021 -0.0023612 -0.0103683 65
19543 215 H 11.5943 31.6968 55.6409 -0.000192103 -0.000583249 -0.0102216 65
19544 216 H 13.2988 31.932 55.6048 -0.000745593 -0.000110602 -0.00110558 65
19545 217 H 13.5368 29.8295 54.1672 0.000933259 -0.000880371 -0.00225754 65
19546 218 H 11.7423 29.6093 54.2713 0.00358023 0.00125847 0.00425615 65
19547 219 H 11.5687 31.9039 53.2597 0.00380221 0.00271559 0.00879456 65
19548 220 H 13.2538 32.0596 53.1675 0.000684738 0.00369411 0.0077829 65
19549 221 H 13.2641 29.8596 51.6514 0.00955166 0.00430893 -0.00555166 65
19550 222 H 11.4715 29.9803 51.6952 -0.00295932 0.00654149 -0.00712117 65
19551 223 H 11.4661 32.0739 50.5739 0.00553309 0.00224078 -0.0165511 65
19552 224 H 13.2679 32.1973 50.5554 0.00340282 -0.00846403 -0.00747286 65
19553 225 H 13.5322 30.2006 49.2427 -0.00305094 -0.0108938 0.00727992 65
19554 226 H 11.7303 29.9704 49.2456 0.00136348 0.00343955 0.00172755 65
19555 227 H 12.5165 31.325 48.3934 0.00882417 0.0112741 -0.00102206 65
19556 228 H 14.0868 33.9132 82.279 0.0117422 0.00335801 0.00765538 65
19557 229 H 13.4327 32.3385 81.9676 0.00866935 -0.0145517 -0.00553558 65
19558 230 H 14.5094 31.4001 84.0694 0.00478542 -0.00160056 0.0028864 65
19559 231 H 14.9055 32.9761 84.6124 0.00394188 -0.0115709 0.00970778 65
19560 232 H 12.4216 33.6006 84.4073 -0.0120967 0.00180019 0.00613195 65
19561 233 H 12.0566 32.0079 83.8768 -0.00647941 0.0113017 0.00339032 65
19562 234 H 11.6595 32.2663 86.2951 0.00351758 -0.00592581 0.00128012 65
19563 235 H 12.931 31.0311 85.9855 0.00370108 0.000804916 -0.00583109 65
19564 236 H 14.6928 32.5219 86.7846 -0.000922498 0.0014178 -0.0110422 65
19565 237 H 13.5376 33.9272 86.7337 -0.0163833 0.00216627 0.00115744 65
19566 238 H 12.1581 32.7817 88.503 -0.00308624 -0.00103709 -0.00824568 65
19567 239 H 13.2169 31.435 88.4004 0.0124798 -0.00189627 -0.00462412 65
19568 240 H 15.0538 32.8454 89.3993 0.00966674 0.0160003 -0.0106243 65
19569 241 H 13.9806 34.2866 89.2787 0.0112705 -0.00225981 0.000258202 65
19570 242 H 12.4859 33.3439 90.9855 0.000327116 0.00404231 0.00690559 65
19571 243 H 13.2535 31.7637 90.8448 0.000164084 0.00398295 0.0109037 65
19572 244 H 15.3876 32.9935 91.8494 0.00623371 0.0012863 -0.00110942 65
19573 245 H 14.3589 34.3934 92.0166 0.00795721 -0.00258052 0.00323473 65
19574 246 H 12.7071 32.966 93.4047 0.00123189 0.00432026 0.00463161 65
19575 247 H 13.8123 31.6515 93.2344 -0.000647754 0.00330257 0.00781007 65
19576 248 H 15.5741 33.1743 94.4003 0.00388624 0.0137557 -0.00804324 65
19577 249 H 14.2284 34.3989 94.4876 -0.0113018 -0.00394338 0.00477941 65
19578 250 H 14.4746 31.6108 95.6774 0.0142311 0.00201176 -0.00180856 65
19579 251 H 14.2614 33.0979 96.689 -0.00620402 0.00505763 0.000496958 65
19580 252 H 12.9129 32.5767 95.7151 0.00297069 0.0136157 -0.0105011 65
19581 253 H 21.365 35.8406 81.5843 -0.00493792 0.000379524 -0.0155005 65
19582 254 H 19.9101 36.9026 81.7027 -0.00978572 -0.00724598 -0.00554849 65
19583 255 H 19.4854 35.9827 84.0199 -0.00647015 -0.00465082 -0.009859 65
19584 256 H 21.0159 35.2169 83.9903 -0.00750547 -0.00586838 -0.0118204 65
19585 257 H 22.2807 37.1996 83.7721 1.4971e-05 0.00625955 0.0079684 65
19586 258 H 20.9504 38.1555 83.2488 -0.0205483 -0.000656073 0.000991108 65
19587 259 H 21.2912 38.862 85.5499 0.00239901 -0.00152591 0.00349613 65
19588 260 H 19.8825 37.7829 85.5408 -0.0035516 -0.00392508 0.0162581 65
19589 261 H 21.2336 35.9154 86.4904 0.0123249 -0.00161065 0.00891581 65
19590 262 H 22.6736 36.9453 86.4127 -0.00114278 -0.00555689 -0.00670859 65
19591 263 H 21.3802 38.615 87.9578 0.00354353 -0.000414932 0.0164057 65
19592 264 H 20.0642 37.4299 88.0662 8.17374e-05 0.0115683 -0.00124696 65
19593 265 H 21.5545 35.8519 89.1378 0.00453465 -0.000128359 0.0151282 65
19594 266 H 22.9133 37.0211 89.0061 -0.0015896 0.00344555 0.000712001 65
19595 267 H 21.7189 38.6663 90.4111 0.00625784 -0.00100651 -0.005847 65
19596 268 H 20.3162 37.7385 90.3501 0.00196105 -0.00450128 0.010387 65
19597 269 H 21.5539 35.8458 91.639 0.00343909 -0.000168025 -0.00169909 65
19598 270 H 22.8878 37.0275 91.8615 -0.00093987 -0.00506961 -0.00546841 65
19599 271 H 21.3872 38.6054 92.9762 0.00149904 -0.00462777 0.0229812 65
19600 272 H 20.0548 37.5319 92.7731 0.00187105 0.0161717 0.0109473 65
19601 273 H 21.17 35.6949 94.0957 0.00746833 -0.0019041 0.00331415 65
19602 274 H 22.5589 36.6634 94.3673 0.000665776 0.0207387 0.0133346 65
19603 275 H 21.2058 38.2827 95.7178 0.0210866 -0.00145807 -0.00715916 65
19604 276 H 19.7218 37.4271 95.322 0.00548008 -0.00406192 -0.0137909 65
19605 277 H 20.8951 36.616 96.3497 -0.00847248 0.0058286 0.00347958 65
19606 278 H 19.5999 28.1628 82.945 0.0118994 -0.00620145 -0.00523107 65
19607 279 H 21.2707 28.7199 82.6477 0.00242026 -0.0138564 0.00726298 65
19608 280 H 19.3838 29.5612 84.9511 -0.00112063 0.00673272 -0.00755281 65
19609 281 H 21.1288 30.0003 84.8206 0.00508257 -0.00481809 -0.00107239 65
19610 282 H 21.6558 27.4658 84.9433 0.00486064 -0.006956 0.00618551 65
19611 283 H 19.9645 27.2327 85.0976 -0.00466485 0.00756106 0.0112505 65
19612 284 H 21.7605 28.4693 87.2054 0.00864738 -0.0038252 -0.00839232 65
19613 285 H 21.045 26.8585 87.2093 0.004136 0.000602342 -0.00689248 65
19614 286 H 18.7247 28.2923 87.0787 -0.00421968 -0.00150358 0.00947038 65
19615 287 H 19.7037 29.4865 87.7967 0.0124121 -0.00022345 -0.0065038 65
19616 288 H 19.8156 26.6889 88.911 -0.00638966 0.00162838 -0.00930912 65
19617 289 H 18.464 27.842 89.2778 -0.0013311 0.00204955 -0.00854203 65
19618 290 H 20.3384 29.4159 90.2372 -0.00283291 -0.000981262 0.00903034 65
19619 291 H 21.4847 28.0989 89.9561 0.000386848 0.00534598 -0.00822538 65
19620 292 H 20.3587 26.6178 91.4363 -0.00241776 0.00154384 0.00546901 65
19621 293 H 18.943 27.6715 91.5943 -0.00380586 0.00412035 -0.00599957 65
19622 294 H 20.4762 29.3896 92.73 0.00620081 -0.00128307 0.0042161 65
19623 295 H 21.7554 28.2042 92.5958 -0.0038958 -0.00257847 -0.0201451 65
19624 296 H 20.3474 26.5013 93.9201 0.00585645 7.65309e-05 -0.00367921 65
19625 297 H 19.1009 27.7336 94.1584 -0.00161805 0.00747697 -0.00540062 65
19626 298 H 20.6265 29.099 95.486 0.00226508 -0.0055706 0.0264041 65
19627 299 H 22.0391 28.1794 94.9275 0.00313847 -0.00305888 0.00431187 65
19628 300 H 21.3253 26.1526 96.1634 -0.00994202 -0.00781347 -0.00145931 65
19629 301 H 19.8408 26.9795 96.6825 -0.0020147 0.0147374 3.41434e-05 65
19630 302 H 21.4793 27.4823 97.2861 0.00691975 0.00657604 -0.0094307 65
19631 1 C 24.0925 42.1797 79.1739 -0.000815489 -0.0031778 -1.56695e-05 66
19632 2 C 24.1437 42.0927 77.7782 -0.000552576 -0.000245312 0.00141163 66
19633 3 C 23.6918 40.931 77.1407 -0.00101375 0.00422534 0.00508717 66
19634 4 C 23.0789 39.9534 77.9467 0.00361926 -0.0039878 0.000305278 66
19635 5 C 22.9921 40.0739 79.3715 -0.00236621 -0.00275624 0.000510661 66
19636 6 C 23.4919 41.2275 79.9882 -0.000126228 -0.000746118 -0.00353267 66
19637 7 C 18.4599 38.9593 79.1387 -0.00213535 0.000117566 0.000769637 66
19638 8 C 18.5617 38.9241 77.7679 0.00370722 -0.00624531 -0.00276228 66
19639 9 C 19.7999 38.8384 77.1439 -0.00234093 -0.00193335 0.00194532 66
19640 10 C 20.9889 38.7926 77.9459 -0.00221849 -0.00332916 0.000634235 66
19641 11 C 20.8684 38.8859 79.337 0.00167703 0.00282371 -0.000197298 66
19642 12 C 19.5842 38.9739 79.9315 -0.00147483 0.00575609 0.000787606 66
19643 13 C 24.2489 35.5746 79.6993 0.000415931 0.00155626 -0.00313156 66
19644 14 C 24.2526 35.4483 78.3317 0.00270395 -0.00087451 -0.00343685 66
19645 15 C 23.709 36.4385 77.5477 -0.00301444 -0.0010107 0.00569855 66
19646 16 C 23.1043 37.5577 78.187 0.00101693 0.000562095 -0.00157616 66
19647 17 C 22.4076 38.7205 77.4318 0.00137384 -0.0019001 0.00130828 66
19648 18 O 23.6325 36.5234 81.8063 -0.00141778 -0.00104279 0.0021634 66
19649 19 O 19.478 39.1205 81.3044 0.0015608 -0.0013644 0.000501729 66
19650 20 O 23.4001 41.3406 81.3653 -0.00164129 0.00319424 -0.0021872 66
19651 21 C 23.6008 36.5956 80.3984 0.00293612 -0.00244682 -0.000660481 66
19652 22 C 22.4519 38.5606 76.0005 -0.00353912 0.00014052 -0.00016314 66
19653 23 C 22.241 38.3058 74.8241 -0.00133102 -0.00200123 0.00167853 66
19654 24 C 21.8126 37.8634 73.5266 0.00034924 0.00246131 0.00151446 66
19655 25 C 20.7431 38.5346 72.8786 0.00271715 0.000540732 0.00138006 66
19656 26 C 20.2663 37.9883 71.6816 0.0027541 0.00222023 -0.00178038 66
19657 27 C 20.8308 36.836 71.1689 0.000466276 0.00166896 -0.00138416 66
19658 28 C 21.8938 36.1905 71.7765 -0.00244247 -0.00140069 -0.00544706 66
19659 29 C 22.3788 36.6829 72.9906 -0.00185996 -0.000299164 0.00167849 66
19660 30 C 20.4488 36.4896 69.8744 0.00519025 0.00395886 0.00117974 66
19661 31 C 20.2486 36.3077 68.6944 -0.000252194 0.00353087 0.00485678 66
19662 32 C 18.2121 32.8061 66.9145 -0.0023208 -0.00260629 -0.00152512 66
19663 33 C 18.3015 32.6508 65.5029 -0.00352628 -0.00097743 -0.00200197 66
19664 34 C 18.8155 33.6658 64.6998 -0.000402304 -0.00384896 -0.000923808 66
19665 35 C 19.3174 34.833 65.3015 0.000340472 -0.00164187 -0.000267557 66
19666 36 C 19.3963 34.921 66.7285 0.00414641 0.00135164 -0.00223663 66
19667 37 C 18.7699 33.9325 67.5122 0.00442799 -0.00286204 0.00210237 66
19668 38 C 20.142 36.1581 67.2256 -0.00425187 0.000230545 -0.000753384 66
19669 39 C 23.9241 36.2668 66.2195 -0.000861634 0.00500365 3.41501e-05 66
19670 40 C 23.7999 36.1229 64.8247 0.00145575 -0.000813724 -0.00311045 66
19671 41 C 22.5504 36.0026 64.2854 0.00017631 0.00143556 -0.00396689 66
19672 42 C 21.3914 36.0369 65.0929 -0.00613788 -0.00192028 -0.00691942 66
19673 43 C 21.5116 36.1705 66.487 -0.00235149 0.000305808 -0.00231475 66
19674 44 C 22.7958 36.249 67.0672 -0.00287229 -0.00364311 0.00204664 66
19675 45 C 18.2264 39.4619 66.5948 0.00180641 -0.00298003 -0.00349323 66
19676 46 C 18.2337 39.4671 65.1769 0.00281747 -0.00061688 -0.00230354 66
19677 47 C 18.7717 38.3758 64.456 -0.00134928 0.000392692 -5.50237e-05 66
19678 48 C 19.3171 37.2657 65.1723 -0.00281752 -0.00117773 -0.00386246 66
19679 49 C 19.9556 36.0202 64.5798 0.00467086 0.00300652 -0.000180484 66
19680 50 C 19.4138 37.342 66.5694 -0.000656572 -0.00198155 -0.00152177 66
19681 51 C 18.8688 38.4273 67.2735 0.0033023 0.00314458 0.0044864 66
19682 52 O 22.3553 35.7143 62.9897 0.00402531 -0.000267449 0.000736641 66
19683 53 O 18.8853 33.478 63.3598 0.00302845 0.00313495 -0.00315457 66
19684 54 O 18.8298 38.4392 63.0306 0.000947372 -0.0012475 0.000790931 66
19685 55 C 22.2248 38.9002 80.088 -0.0044375 0.00450599 0.000637009 66
19686 56 C 22.9716 37.6212 79.6161 -0.00203248 -0.00200396 3.28628e-06 66
19687 57 C 22.177 34.3206 62.6427 0.00137655 -0.00129065 0.00141936 66
19688 58 C 21.5386 34.1469 61.2665 -9.57145e-05 -0.00247038 0.00205951 66
19689 59 C 21.3015 35.4152 60.4425 -0.00342065 0.00154294 -0.00270511 66
19690 60 C 21.0369 34.9961 58.9905 0.000764947 -0.00364304 -0.00358187 66
19691 61 C 20.5568 36.1483 58.1481 0.00236838 -0.00095245 -0.000232784 66
19692 62 C 20.128 35.7629 56.7442 0.00437177 -0.00137904 -0.00168573 66
19693 63 C 21.1326 34.7801 56.035 0.00374201 -0.00302799 -0.00294036 66
19694 64 C 20.8008 34.5573 54.5436 0.00100251 -0.00653113 0.000853871 66
19695 65 C 21.0837 35.81 53.7094 0.00189298 -0.00155651 0.002911 66
19696 66 C 21.1197 35.6461 52.2118 -0.000599191 0.00149205 -0.00147345 66
19697 67 C 19.7811 35.2688 51.626 0.000873155 -0.00144441 0.000744939 66
19698 68 C 19.7879 35.4251 50.1007 0.000450528 0.00276748 0.00590692 66
19699 69 F 19.2158 38.6094 71.0786 0.000712806 -0.000809853 -0.000757717 66
19700 70 C 17.7398 33.8638 62.5886 -0.000268986 -0.00110171 4.17687e-05 66
19701 71 C 17.8166 33.3175 61.1613 -0.00133014 0.00380599 0.00225046 66
19702 72 C 17.5616 34.4588 60.1345 0.00124497 0.000487195 -0.00284122 66
19703 73 C 17.4981 33.9823 58.6611 0.00196414 7.46538e-06 -0.00283521 66
19704 74 C 16.5348 32.8254 58.4599 -0.0038187 2.61363e-05 0.00405491 66
19705 75 C 15.9356 32.6986 57.0476 -0.00290786 0.00175013 0.00347693 66
19706 76 C 16.9536 32.6886 55.8906 -0.00354429 0.00209268 0.00321992 66
19707 77 C 16.1588 32.9109 54.5503 0.00225296 -0.000255275 0.00445167 66
19708 78 C 17.0261 32.7712 53.3019 0.00064129 -0.000822818 0.00294704 66
19709 79 C 16.0821 32.8022 52.0544 -0.0021237 -0.00536689 -0.000857183 66
19710 80 C 16.8198 32.8772 50.7132 -0.000535372 -0.00148953 0.00375929 66
19711 81 C 15.8357 32.8931 49.5237 0.00804233 -0.00452894 0.00381016 66
19712 82 C 20.0866 38.8248 62.4671 -0.000796004 -0.0002659 -0.000735152 66
19713 83 C 20.0703 38.6571 60.9104 0.00279083 -0.000827937 0.00281162 66
19714 84 C 20.1667 40.032 60.1509 -0.000807466 -0.00107301 0.00165779 66
19715 85 C 20.9375 39.9554 58.8006 -0.00132438 0.0015877 0.00092636 66
19716 86 C 20.073 39.7819 57.5054 -0.000839569 -0.00269693 -0.00219965 66
19717 87 C 20.9672 39.4812 56.2934 -0.00216476 0.00490898 0.000792429 66
19718 88 C 20.2892 39.0983 54.9747 -0.000230465 0.0029009 -0.000119159 66
19719 89 C 19.5891 40.151 54.1406 -0.00365236 -0.00330235 -0.000326675 66
19720 90 C 19.3461 39.8582 52.6793 -0.00155778 0.000607171 -0.00305601 66
19721 91 C 20.6104 39.6034 51.8629 -0.00118298 -0.000210832 -0.000433899 66
19722 92 C 20.2936 39.3966 50.369 0.000738273 -0.00393882 0.00520621 66
19723 93 C 21.5731 38.9517 49.605 0.000253511 -1.15064e-05 -0.00129636 66
19724 94 C 18.2419 39.4097 82.0126 0.00150237 -0.00276589 -0.00190277 66
19725 95 C 18.4279 38.9634 83.4504 0.0043857 -0.00158218 0.00024322 66
19726 96 C 17.1799 39.2805 84.3322 -0.00514486 -0.00214289 -0.000415322 66
19727 97 C 17.566 38.9733 85.806 0.00264671 0.00208194 -0.000586688 66
19728 98 C 16.5687 39.5898 86.797 0.00128091 -0.00474103 -0.000286603 66
19729 99 C 17.111 39.6207 88.2655 -0.00606169 -0.00396606 0.000387475 66
19730 100 C 16.1343 40.2008 89.3024 0.00101175 0.00125518 0.00178059 66
19731 101 C 16.5651 39.7829 90.7408 0.00697046 -0.00264251 0.00260933 66
19732 102 C 18.033 40.2354 91.1068 0.000642019 0.000991224 0.00386513 66
19733 103 C 18.4286 39.7994 92.5265 -0.000237372 0.0017019 -0.00421771 66
19734 104 C 17.6555 40.4799 93.6561 -0.000500674 -0.000488418 -0.00226985 66
19735 105 C 17.5288 39.5947 94.918 -0.000604318 0.000962547 -0.000228891 66
19736 106 C 23.5732 42.5819 82.0346 -0.0012921 0.00342284 -0.000328701 66
19737 107 C 23.7307 42.1609 83.4607 -0.00245336 -0.00154086 0.000823677 66
19738 108 C 24.1364 43.2716 84.3913 0.000589682 0.000535964 -0.000547404 66
19739 109 C 24.4376 42.7571 85.8001 0.000677697 -0.0014102 -0.00104369 66
19740 110 C 24.3016 43.8606 86.8641 0.000666267 -0.00125738 -0.00119509 66
19741 111 C 24.8251 43.3491 88.2136 -0.0017002 -0.00159025 0.000368166 66
19742 112 C 24.4924 44.2227 89.437 -0.000791043 0.00228408 -0.00244942 66
19743 113 C 25.2118 43.6413 90.6368 -0.000275788 -0.00196794 0.000777753 66
19744 114 C 24.8061 44.2982 91.994 -0.00171751 0.00185992 0.00178084 66
19745 115 C 25.51 43.6396 93.2222 0.00250808 0.00323064 0.00144015 66
19746 116 C 24.9963 44.268 94.5322 -0.00246324 0.00327763 -0.00267742 66
19747 117 C 25.6937 43.7224 95.8146 0.00470414 -0.00419472 -0.000299235 66
19748 118 C 24.2319 35.3905 82.5162 0.00343595 -0.00133516 0.000947698 66
19749 119 C 24.2893 35.3188 84.0906 -0.00207757 -5.58489e-05 0.0013937 66
19750 120 C 25.0416 34.0263 84.5487 -0.00286247 0.00402471 -0.00349498 66
19751 121 C 24.9328 33.5981 86.0471 0.000437264 -0.00406842 -0.00353084 66
19752 122 C 24.6312 34.6635 87.1164 0.000373993 -0.00126419 0.00213098 66
19753 123 C 24.9617 34.0064 88.4887 0.000249048 0.0010239 -0.00238339 66
19754 124 C 24.7201 34.8677 89.7501 -0.00180609 0.00358702 0.000126657 66
19755 125 C 25.1982 34.0919 91.0101 0.00365129 -0.00286388 0.000729122 66
19756 126 C 24.8083 34.8425 92.3245 0.00180362 -0.000885004 -0.00166829 66
19757 127 C 25.287 33.982 93.5108 -0.00223331 0.00623724 -0.00222676 66
19758 128 C 24.5427 34.3419 94.7942 -0.00338506 0.00752009 -0.00253554 66
19759 129 C 25.0279 35.6439 95.4754 -0.00189584 0.00237687 0.000820544 66
19760 130 F 20.1145 39.6131 73.3923 -0.00234339 0.00178139 -0.0042229 66
19761 131 H 24.5757 43.0415 79.6248 -0.0134207 0.00236367 0.00286269 66
19762 132 H 24.5629 42.9229 77.2173 -0.000935713 0.00325311 0.00629431 66
19763 133 H 23.7169 40.8468 76.0583 -0.0172873 -0.00641933 0.00552598 66
19764 134 H 17.4777 38.9927 79.6007 -0.00955071 -0.00866556 -0.0144071 66
19765 135 H 17.6372 38.8983 77.1986 0.00164953 -0.000811971 0.00032901 66
19766 136 H 19.9024 38.7831 76.0641 -0.00690844 0.000872092 0.0013843 66
19767 137 H 24.7438 34.7781 80.2471 0.00404398 0.010747 0.00696742 66
19768 138 H 24.7908 34.6159 77.8881 -0.00706319 -0.00389158 -0.00958059 66
19769 139 H 23.7375 36.3583 76.465 0.0167513 -0.000996037 0.00623608 66
19770 140 H 22.353 35.3326 71.2942 0.00578648 -0.00924123 0.0163527 66
19771 141 H 23.2048 36.1561 73.4592 -0.00688186 -0.000571278 0.0101944 66
19772 142 H 17.8033 32.042 67.5691 0.0207348 -0.020812 -0.00838497 66
19773 143 H 17.8907 31.7545 65.0476 0.00168589 0.00110648 -0.0107794 66
19774 144 H 18.7853 33.9531 68.5979 -3.3419e-05 0.0111377 0.00187798 66
19775 145 H 24.9014 36.3332 66.6885 0.00519972 0.00755086 -0.0129794 66
19776 146 H 24.715 36.1318 64.2401 -0.00452618 0.0114604 -0.0122523 66
19777 147 H 22.8771 36.2943 68.1492 -0.00741394 0.00542579 0.00201253 66
19778 148 H 17.6983 40.2376 67.1414 -0.0120594 0.00390867 -0.026585 66
19779 149 H 17.8133 40.3711 64.7463 -0.000717724 -0.0069242 -0.0120184 66
19780 150 H 19.8685 36.0074 63.4863 -0.0130599 -0.00379504 0.00132247 66
19781 151 H 19.0036 38.4761 68.35 -0.00344367 -0.0192908 0.00635625 66
19782 152 H 22.0957 39.0083 81.172 -0.0130497 -0.00737881 0.000801113 66
19783 153 H 23.1491 33.8194 62.7278 0.00559259 0.00695668 0.00197983 66
19784 154 H 21.4926 33.8293 63.3453 0.00676136 0.017363 0.019698 66
19785 155 H 20.5996 33.6043 61.4312 0.00417591 -0.0113312 -0.00267385 66
19786 156 H 22.0968 33.4247 60.658 0.00231656 0.00175745 -0.000739317 66
19787 157 H 22.196 36.0499 60.4614 0.00878392 -0.0159583 0.00893861 66
19788 158 H 20.4279 35.8976 60.898 -0.00772375 -0.0132584 0.00480347 66
19789 159 H 20.3263 34.1604 58.9969 0.0109329 -0.0122258 0.00940701 66
19790 160 H 21.9759 34.573 58.6127 0.00912 0.00665249 0.00562822 66
19791 161 H 21.3639 36.8835 58.041 0.0041519 -0.00181021 0.00742135 66
19792 162 H 19.7263 36.7043 58.6005 0.000666917 -0.00400458 0.000381686 66
19793 163 H 20.0784 36.6703 56.1298 -0.0140739 -0.00692663 -0.00838228 66
19794 164 H 19.1251 35.3223 56.8027 0.0080788 -0.0093367 0.00203603 66
19795 165 H 21.145 33.8026 56.5328 -0.00506365 0.00371286 0.0105154 66
19796 166 H 22.1193 35.2542 56.1062 0.00781239 -0.0111779 -0.005346 66
19797 167 H 19.7577 34.2609 54.378 -0.000932361 0.00614774 -0.00977348 66
19798 168 H 21.4355 33.7448 54.1688 0.0150206 0.00509223 -0.000601746 66
19799 169 H 22.0226 36.2952 54.0033 0.0077965 -0.00401461 -0.0118865 66
19800 170 H 20.3102 36.5525 53.9412 0.00323614 0.00117118 -0.00134804 66
19801 171 H 21.8739 34.8994 51.9343 -0.0117875 -0.00377589 -0.0176529 66
19802 172 H 21.5025 36.5805 51.7831 0.00755039 -0.00352472 -0.00516109 66
19803 173 H 18.953 35.8473 52.054 -0.006617 -0.002443 -0.0123304 66
19804 174 H 19.4692 34.2546 51.9045 0.012475 -0.00159783 0.0131023 66
19805 175 H 18.795 35.1898 49.6978 0.00230286 0.00553443 -0.000270722 66
19806 176 H 20.4653 34.7022 49.6296 -0.00384825 -0.00955657 0.0186031 66
19807 177 H 20.0569 36.4596 49.8542 -0.013506 0.00155343 -0.0142748 66
19808 178 H 16.8268 33.4464 63.0307 -0.00477363 0.00571244 -0.00278284 66
19809 179 H 17.5508 34.9443 62.6001 0.00546037 -9.7721e-05 -0.00184688 66
19810 180 H 18.7777 32.8296 60.9568 0.00101083 0.0085793 0.00181996 66
19811 181 H 17.0053 32.5792 61.1542 -0.00106937 0.00347654 0.00560302 66
19812 182 H 16.6099 34.9026 60.4517 0.0117958 0.021387 -0.000456163 66
19813 183 H 18.2987 35.2576 60.2833 -0.00603047 0.00544309 0.00673415 66
19814 184 H 17.3239 34.7825 57.9311 -0.0054921 0.00567235 0.0051891 66
19815 185 H 18.4542 33.5118 58.4006 0.00940873 0.00485732 0.0157547 66
19816 186 H 17.0218 31.8961 58.7801 0.00647978 0.00064233 -0.00986375 66
19817 187 H 15.6416 32.9203 59.0896 -0.00553787 0.0102318 7.48898e-05 66
19818 188 H 15.3433 31.7753 57.064 -0.0103555 0.00630028 -0.0120149 66
19819 189 H 15.2954 33.5756 56.8918 0.00290413 0.00474068 -0.0036656 66
19820 190 H 17.7258 33.4625 55.9811 0.00306031 -0.00402798 -0.000700475 66
19821 191 H 17.4784 31.7257 55.861 0.00135833 0.00435371 0.0168965 66
19822 192 H 15.2938 32.2388 54.492 0.00673379 -0.00541817 -0.00228524 66
19823 193 H 15.7026 33.907 54.6046 0.00478932 0.00162089 -0.00911916 66
19824 194 H 17.7014 33.6357 53.2898 0.000369796 -0.000701262 -0.00329016 66
19825 195 H 17.5938 31.8339 53.3532 0.00407593 0.000931309 -0.00314574 66
19826 196 H 15.4298 31.9207 52.0848 0.00397324 -0.0096065 0.00702663 66
19827 197 H 15.3732 33.6354 52.1345 -0.00498561 -0.00818681 0.00323013 66
19828 198 H 17.4465 33.7753 50.6503 -0.0104427 0.00527766 0.00144369 66
19829 199 H 17.415 31.9703 50.55 -0.0091411 -0.00633513 -0.00086898 66
19830 200 H 16.3733 33.1076 48.5918 0.00897741 0.0133119 0.00843527 66
19831 201 H 15.2947 31.9434 49.4294 0.000199868 8.03655e-05 0.00230284 66
19832 202 H 15.0826 33.6859 49.6121 0.0055094 -0.00531425 -0.0105599 66
19833 203 H 20.3235 39.8527 62.7682 -0.00910906 0.00225161 -0.0027485 66
19834 204 H 20.8575 38.133 62.8285 0.00379597 0.0100361 0.00916372 66
19835 205 H 20.9814 38.0904 60.6818 0.00818473 0.00367206 0.0130757 66
19836 206 H 19.1954 38.1206 60.5229 -0.00217522 0.0198992 -0.01487 66
19837 207 H 19.1624 40.4173 59.9359 0.000474885 0.000463751 -0.00158707 66
19838 208 H 20.683 40.7674 60.7802 0.000323357 0.00398171 -0.00517666 66
19839 209 H 21.6526 40.7789 58.6827 -0.00632222 0.00722116 0.0101304 66
19840 210 H 21.6241 39.1047 58.8915 -0.0069004 -0.00241964 0.00545683 66
19841 211 H 19.302 39.0082 57.6078 -0.0118311 0.00680864 -0.0129427 66
19842 212 H 19.5504 40.7253 57.3047 -0.0104482 -0.00844168 -0.00417172 66
19843 213 H 21.7014 40.2877 56.1752 0.00885195 -0.00619271 -0.00648173 66
19844 214 H 21.5462 38.5648 56.4618 -0.00247767 0.00396457 -0.00319866 66
19845 215 H 21.0707 38.6322 54.362 0.00156293 0.00723863 -0.00112473 66
19846 216 H 19.5401 38.307 55.1015 0.000362393 0.00333456 0.00602031 66
19847 217 H 18.6678 40.4249 54.6694 0.000579131 -0.00495071 0.00793232 66
19848 218 H 20.2099 41.0531 54.2061 -0.00508736 -0.00220038 -0.00192296 66
19849 219 H 18.6633 39.0027 52.6053 0.00555656 -0.00566744 0.00421363 66
19850 220 H 18.7203 40.6286 52.2121 0.0112937 0.0101382 -0.00447933 66
19851 221 H 21.2295 40.506 51.9367 0.00790147 -0.00644146 -0.000650918 66
19852 222 H 21.1462 38.7443 52.2852 0.00661383 0.00430897 -0.00115021 66
19853 223 H 19.5025 38.646 50.2494 0.00274587 -0.00416672 -0.0066115 66
19854 224 H 19.9506 40.3505 49.9499 -0.00236157 -0.00658006 0.00174465 66
19855 225 H 21.3073 38.921 48.5412 -0.00135875 -0.00988095 -0.000616356 66
19856 226 H 22.4316 39.6208 49.7415 0.00191318 -0.00144171 -0.00471635 66
19857 227 H 21.8053 37.916 49.8825 0.00633001 0.00484886 0.0116963 66
19858 228 H 18.0449 40.4845 81.9165 -0.00474016 -0.00342607 0.00366519 66
19859 229 H 17.4291 38.8067 81.5892 -0.00757884 0.00702989 0.00163079 66
19860 230 H 18.5447 37.8729 83.43 -0.00283988 -0.00210044 -0.0146812 66
19861 231 H 19.3091 39.479 83.8516 -0.000471286 0.0065342 0.000517961 66
19862 232 H 16.9829 40.3552 84.235 -0.00681098 0.000246682 0.029248 66
19863 233 H 16.2476 38.7695 84.0619 -0.00176512 -0.0113099 0.00524819 66
19864 234 H 17.6092 37.8933 85.9934 0.00689778 0.00529891 0.0170043 66
19865 235 H 18.5808 39.353 85.9776 0.00199976 0.00359662 -0.000122835 66
19866 236 H 16.3171 40.6386 86.597 -0.00320261 -0.00616282 -0.00206203 66
19867 237 H 15.6745 38.9586 86.7242 -0.000249875 -0.00276919 0.00151314 66
19868 238 H 17.423 38.6283 88.6137 -0.0115149 -0.0047209 0.00313993 66
19869 239 H 18.0052 40.2555 88.2373 -0.00214446 -0.00943707 0.0016637 66
19870 240 H 16.1239 41.2943 89.2153 0.00973778 0.00103248 -0.00215691 66
19871 241 H 15.1277 39.8015 89.1268 0.0060446 -0.00399731 -0.0151326 66
19872 242 H 15.8052 40.1869 91.4211 -0.00318276 0.0141014 -0.0185884 66
19873 243 H 16.5073 38.6875 90.7581 0.0038942 -0.00256468 -0.00227906 66
19874 244 H 18.7691 39.775 90.4363 0.000618061 0.00418038 0.00165441 66
19875 245 H 18.1436 41.3249 91.0414 0.00968984 -0.000408835 -0.00404127 66
19876 246 H 18.3089 38.7127 92.6168 -0.00546172 0.00107315 -0.0188239 66
19877 247 H 19.49 40.0401 92.6644 0.00295773 -0.0121823 -0.00466962 66
19878 248 H 18.2047 41.407 93.8618 -0.00120843 -0.000308358 -0.00119983 66
19879 249 H 16.6672 40.8233 93.3265 0.0047467 0.00937703 -0.00778517 66
19880 250 H 18.4958 39.3609 95.3801 0.00233134 -9.91032e-05 -0.00693145 66
19881 251 H 16.9791 40.1348 95.6988 0.00373003 -0.00135197 0.00443243 66
19882 252 H 17.0935 38.6159 94.6816 -0.00496022 0.00158207 0.00527118 66
19883 253 H 24.4876 43.1115 81.7401 -0.00015891 -0.00411963 -0.0103395 66
19884 254 H 22.6852 43.209 81.8881 0.000805856 0.00722872 0.00328156 66
19885 255 H 22.8749 41.5853 83.8347 -0.00494232 0.00294245 0.00199378 66
19886 256 H 24.5557 41.4396 83.5105 -0.00222172 -0.000996273 0.0049568 66
19887 257 H 24.9659 43.8653 83.9878 0.00262355 -0.00331148 -0.00201686 66
19888 258 H 23.319 43.9974 84.4832 -0.00268442 -0.00363779 0.00323528 66
19889 259 H 23.6649 42.0294 86.0772 0.00350771 0.0025037 0.0172138 66
19890 260 H 25.4259 42.285 85.8623 -0.00358679 -0.00920762 0.00734496 66
19891 261 H 24.8433 44.7512 86.5224 0.0213995 -0.0107324 0.00702549 66
19892 262 H 23.2446 44.1366 86.9645 0.00361277 0.00682765 0.00757089 66
19893 263 H 24.3515 42.3622 88.2862 0.000319145 -0.00198111 0.00782671 66
19894 264 H 25.9066 43.1918 88.119 -0.00559171 -0.0165921 -0.0194698 66
19895 265 H 24.7322 45.2722 89.2262 0.0109254 0.00336816 0.0164502 66
19896 266 H 23.4047 44.168 89.5679 -0.000453665 0.00408262 0.00105647 66
19897 267 H 24.9542 42.579 90.7304 -0.0113418 0.00155804 0.0106208 66
19898 268 H 26.3028 43.7528 90.6107 -0.00188304 0.0138229 0.000460298 66
19899 269 H 25.0362 45.3707 91.986 -0.00361571 0.00237968 0.0158387 66
19900 270 H 23.7145 44.2588 92.0957 -0.00371051 0.0162909 -0.0138735 66
19901 271 H 25.4574 42.5443 93.191 -0.006455 0.00347813 0.00859935 66
19902 272 H 26.5687 43.9174 93.1474 0.000614033 0.0104337 0.00122203 66
19903 273 H 25.2018 45.3455 94.5419 0.00617366 0.00156601 0.00788045 66
19904 274 H 23.9208 44.0917 94.6571 -0.00156112 0.000566339 0.00132577 66
19905 275 H 25.1269 44.074 96.6856 -0.00222678 0.00179692 -0.00721145 66
19906 276 H 25.6681 42.6264 95.8537 -0.00741363 -0.00398979 -0.00247682 66
19907 277 H 26.7407 44.0491 95.8339 0.00573798 -0.0086557 0.017681 66
19908 278 H 23.7199 34.4693 82.2119 -0.00096233 -0.00459169 0.0180758 66
19909 279 H 25.2705 35.3929 82.1631 0.00398514 0.012915 0.00259316 66
19910 280 H 23.294 35.3631 84.5498 0.000397209 -0.0160996 0.0083703 66
19911 281 H 24.8915 36.1638 84.4465 -0.00628637 0.00546458 -0.00460789 66
19912 282 H 26.1059 34.1011 84.2936 0.00131334 0.0096752 0.0155835 66
19913 283 H 24.719 33.1922 83.9133 -0.000217794 -0.00269923 0.00401768 66
19914 284 H 25.8864 33.1156 86.2947 -0.00354597 -0.00373188 0.0124461 66
19915 285 H 24.1815 32.807 86.162 -0.00347563 0.00187764 0.0119229 66
19916 286 H 23.5672 34.9254 87.0639 0.0014184 0.00222293 -0.0016167 66
19917 287 H 25.2295 35.5739 86.9874 -0.00907823 0.0064439 0.0126368 66
19918 288 H 26.0037 33.6641 88.5145 0.00162766 0.00551153 0.00142105 66
19919 289 H 24.3868 33.0811 88.6184 0.000574599 0.000574635 -0.00415901 66
19920 290 H 23.6381 35.0151 89.8553 -0.00221301 0.00252727 -0.00256935 66
19921 291 H 25.2075 35.8481 89.6825 0.00239308 0.0014885 -1.4118e-05 66
19922 292 H 26.2887 33.9725 91.0139 0.00399234 0.000230433 0.00190944 66
19923 293 H 24.6905 33.1218 91.0774 -0.0022534 -0.000586256 -0.0111243 66
19924 294 H 23.72 34.9524 92.4072 0.00213569 0.00371002 -0.00338685 66
19925 295 H 25.1822 35.8706 92.4071 0.0245226 -0.00954876 0.00290116 66
19926 296 H 26.3638 34.1322 93.6568 -0.00170071 -0.00580328 0.00619101 66
19927 297 H 25.1336 32.9158 93.3029 -0.00397949 0.00667224 -0.00316471 66
19928 298 H 24.7538 33.5197 95.489 0.00348582 0.00529538 -0.00723865 66
19929 299 H 23.464 34.3577 94.5954 -0.00478166 0.0141624 0.00562234 66
19930 300 H 24.3282 35.8418 96.2968 -0.00923372 0.0113421 -0.00759897 66
19931 301 H 25.0532 36.4969 94.7861 -0.0174567 -0.00200968 -0.0051696 66
19932 302 H 26.039 35.5091 95.8791 -0.00677588 -0.000323695 0.0121102 66
19933 1 C 28.1942 35.4552 80.21 -0.00444698 -0.000899173 2.82736e-05 67
19934 2 C 28.1672 35.3018 78.8242 -0.00162653 0.00462465 0.00449983 67
19935 3 C 27.5083 34.2235 78.2706 -0.00267014 0.00447707 -0.00147219 67
19936 4 C 26.8544 33.3152 79.1037 -0.0027499 0.000274364 -0.000554691 67
19937 5 C 26.8466 33.4437 80.5335 0.000953849 0.00179987 0.00155106 67
19938 6 C 27.5407 34.5761 81.1112 -0.00217684 -0.00748344 0.000802939 67
19939 7 C 22.2103 32.2421 80.3063 -0.000317535 -0.004563 0.00105512 67
19940 8 C 22.303 32.1649 78.916 0.000293751 0.00366031 -0.000780951 67
19941 9 C 23.5495 32.0909 78.3359 -0.000590251 0.000405195 -0.00306983 67
19942 10 C 24.697 32.1927 79.1231 -0.000647171 -0.00248121 0.0043536 67
19943 11 C 24.6217 32.2854 80.5309 0.00206093 -0.000460146 -0.00137263 67
19944 12 C 23.3466 32.2969 81.1544 -0.00236886 -0.000221018 -0.000812975 67
19945 13 C 27.7347 28.814 80.7398 0.00217413 8.67819e-05 0.0032842 67
19946 14 C 27.6006 28.7226 79.3549 -0.00335795 -0.00132335 0.00288635 67
19947 15 C 27.1282 29.7781 78.5909 0.000389642 0.000456224 0.00391088 67
19948 16 C 26.6384 30.9077 79.2569 -0.0020224 0.00154143 0.00175714 67
19949 17 C 26.1228 32.1275 78.5228 0.00144914 -0.00629017 -0.000217462 67
19950 18 O 27.4462 30.0612 82.7565 -0.000850074 0.000463443 0.00159545 67
19951 19 O 23.1533 32.285 82.5426 0.00110713 0.00359878 0.00180296 67
19952 20 O 27.4662 34.8925 82.4646 0.00310969 -0.00307043 -0.00179436 67
19953 21 C 27.2952 29.9585 81.4052 -0.00228713 0.000202602 -0.000842462 67
19954 22 C 26.1035 31.9334 77.0513 0.00157419 0.00198252 0.00535891 67
19955 23 C 25.9336 31.6363 75.8833 -0.00150994 -0.00186754 0.00224111 67
19956 24 C 25.4744 31.1852 74.5908 -0.00052421 -0.00351726 -0.000788047 67
19957 25 C 24.46 31.8834 73.9587 -0.0005766 0.0047206 0.00161586 67
19958 26 C 23.945 31.471 72.7497 -0.00321717 -0.00278568 0.00325814 67
19959 27 C 24.46 30.2983 72.1466 -0.00155758 0.00389522 -0.00237915 67
19960 28 C 25.4814 29.545 72.8092 0.00355855 -0.0027456 0.00251711 67
19961 29 C 25.9798 29.9633 74.0696 -0.00183577 -0.000283271 -0.00103258 67
19962 30 C 24.1552 29.9484 70.8102 0.00172473 0.00204492 0.00257244 67
19963 31 C 24.0114 29.7159 69.6312 -0.00115817 -0.00456201 0.00132192 67
19964 32 C 22.1367 26.0477 67.7974 -0.00152222 0.000474437 0.00116743 67
19965 33 C 22.1815 25.9592 66.3817 -0.00387485 0.00255465 0.00170424 67
19966 34 C 22.7569 26.9794 65.6259 -0.00416092 -0.00207884 0.00203409 67
19967 35 C 23.2666 28.102 66.2986 -9.12161e-05 -0.00358752 -0.000295735 67
19968 36 C 23.2432 28.2122 67.7098 -0.000304116 0.00190479 0.00264485 67
19969 37 C 22.6766 27.1769 68.4679 -0.00733527 -0.00161782 0.00232477 67
19970 38 C 23.9601 29.4895 68.2158 -0.00370035 -0.00203288 -0.00446185 67
19971 39 C 27.8119 29.4262 67.6923 -0.00115336 -0.00243682 -0.00474205 67
19972 40 C 27.7948 29.4451 66.3003 0.000680946 -0.00316826 -0.00471394 67
19973 41 C 26.5807 29.4692 65.5472 -0.0008988 0.00193865 0.00219105 67
19974 42 C 25.3603 29.4303 66.2059 -0.00309048 -0.00175238 -0.0023052 67
19975 43 C 25.3485 29.4912 67.5984 0.000661369 -0.00482144 0.0120915 67
19976 44 C 26.5749 29.4731 68.3375 -9.13175e-05 -0.00293967 0.000648671 67
19977 45 C 21.9734 32.6561 67.2912 0.000248126 -0.00239751 0.00423128 67
19978 46 C 21.9209 32.5154 65.8778 -0.00256452 -2.07799e-05 6.90229e-05 67
19979 47 C 22.572 31.4519 65.261 -0.000132856 -0.00511958 0.002079 67
19980 48 C 23.1572 30.481 66.0821 -0.000581355 -0.000273628 0.00164802 67
19981 49 C 23.9701 29.3047 65.6054 -0.00412767 0.000547503 1.92208e-05 67
19982 50 C 23.1938 30.6117 67.4767 0.00155788 -0.00287411 0.0021621 67
19983 51 C 22.5773 31.7024 68.0761 0.00377885 0.00205334 -0.00234661 67
19984 52 O 26.6171 29.804 64.2176 0.00278144 0.00106456 -0.00143993 67
19985 53 O 22.8439 26.9125 64.2483 0.00369158 -0.00073856 0.00173978 67
19986 54 O 22.6741 31.4046 63.884 -0.00290876 0.00132223 0.00159542 67
19987 55 C 26.0324 32.2879 81.2198 0.0019669 0.00410791 0.00318412 67
19988 56 C 26.683 31.0069 80.6824 -0.0013561 -0.000111279 -4.01457e-05 67
19989 57 C 26.4561 28.8888 63.1479 -0.000487295 -0.00125669 -0.000356007 67
19990 58 C 26.1073 29.7336 61.8873 -0.00204992 0.00212157 -0.000640785 67
19991 59 C 25.9227 28.8892 60.6287 0.000192365 0.0014892 -0.000164487 67
19992 60 C 25.7115 29.7282 59.3803 0.000666645 -0.00211285 0.0026099 67
19993 61 C 25.2453 28.8876 58.1713 0.00132114 0.0029957 -0.00333126 67
19994 62 C 24.9911 29.6574 56.8842 -0.00240887 -0.00163106 -0.00526737 67
19995 63 C 24.9558 28.7594 55.6111 9.1009e-05 0.00368898 0.00328783 67
19996 64 C 24.7103 29.6242 54.3765 -0.00313259 -0.00163562 -0.000394964 67
19997 65 C 25.0998 29.0544 52.9875 -0.00188824 -0.00207211 0.00105997 67
19998 66 C 23.9313 28.3562 52.2599 0.00187379 -0.0035491 0.00110843 67
19999 67 C 24.1781 28.0378 50.7599 -0.00135784 0.00602985 -0.00324758 67
20000 68 C 24.0474 29.2785 49.8504 0.000552512 -0.00731065 0.00215927 67
20001 69 F 22.9317 32.1667 72.1235 -0.00223328 -0.000879839 -0.000264812 67
20002 70 C 23.1674 25.7443 63.5136 -0.00340677 0.00248702 -0.00835103 67
20003 71 C 23.7391 26.2081 62.1764 0.00353868 -0.00213208 -0.00332958 67
20004 72 C 24.2043 25.0623 61.2196 -0.00519062 -0.00038255 -0.000902288 67
20005 73 C 23.8652 25.4174 59.7545 0.00171959 -0.000145509 0.000264141 67
20006 74 C 24.3851 24.2811 58.8268 -0.00220165 -0.0020382 0.000286724 67
20007 75 C 25.0082 24.8041 57.5307 0.00275366 -0.00117562 -0.00152639 67
20008 76 C 24.0035 24.9092 56.3952 0.000766232 -0.000914602 -0.00321867 67
20009 77 C 24.6771 25.0265 54.9951 0.000145726 -0.00202972 0.00285559 67
20010 78 C 23.7291 24.8185 53.7707 0.00410185 -0.00285472 0.00272152 67
20011 79 C 24.5617 24.6264 52.4978 -0.00333578 -0.00354966 0.00211489 67
20012 80 C 23.7678 24.4139 51.1932 -0.00419652 0.00188038 0.00026427 67
20013 81 C 24.7124 23.9814 50.0649 -0.00143135 0.000762583 -0.00421368 67
20014 82 C 22.0216 30.3864 63.0971 0.0059867 0.000379621 0.00174319 67
20015 83 C 22.1773 30.7889 61.5923 -0.000193166 0.000992385 -0.00339853 67
20016 84 C 21.9266 29.6289 60.5747 0.00200512 0.0058568 -0.0009913 67
20017 85 C 21.9272 30.0654 59.0884 -0.00395615 -0.00101551 -0.00350894 67
20018 86 C 20.8524 31.1248 58.7525 -0.00404962 0.00281026 -0.00481346 67
20019 87 C 20.115 30.9086 57.4037 -0.00185091 -0.00138907 0.000522253 67
20020 88 C 21.0422 30.7458 56.2016 -0.00124642 -0.00187493 0.000418007 67
20021 89 C 20.2964 30.9519 54.8694 0.00359314 0.00106283 -0.000698403 67
20022 90 C 21.2491 31.0315 53.708 0.00126905 -0.000502563 -0.00336854 67
20023 91 C 20.6478 31.4332 52.3291 -0.00281206 0.00415836 0.00216354 67
20024 92 C 19.9067 30.3565 51.5923 -0.00151578 -0.00016715 0.000658347 67
20025 93 C 19.8205 30.7062 50.0683 0.00102877 -1.04201e-05 -0.0011136 67
20026 94 C 21.8543 32.7534 83.0706 0.000624511 0.00290688 0.000484846 67
20027 95 C 21.853 32.7661 84.6133 -0.00299837 0.00369986 0.00137612 67
20028 96 C 20.457 32.7771 85.2635 -0.000362752 0.00870099 0.00443567 67
20029 97 C 20.3632 32.3181 86.6994 0.00111489 -0.00178177 0.00161873 67
20030 98 C 21.3333 32.8216 87.7314 0.000169998 -0.00496495 -0.00161932 67
20031 99 C 20.9106 32.2822 89.0954 0.000402301 -0.00273734 0.000580275 67
20032 100 C 21.7023 32.7741 90.3207 -0.000771729 0.00444474 -0.000474796 67
20033 101 C 21.0742 32.1807 91.5967 2.05915e-06 0.00171228 -0.00328826 67
20034 102 C 21.6601 32.7324 92.9287 0.000627765 0.00256993 0.00275723 67
20035 103 C 20.6501 32.3619 94.0293 0.00120195 -0.000137878 0.00330928 67
20036 104 C 21.0801 32.8102 95.4179 -0.0010199 0.00370547 -0.00134927 67
20037 105 C 22.1495 31.9707 96.0893 0.000680941 0.00070807 0.000683426 67
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20539 3 C 34.9842 34.1882 77.8998 -0.00247316 -0.00122224 0.00336287 69
20540 4 C 34.41 33.2554 78.7768 0.000120451 0.000961214 0.000668078 69
20541 5 C 34.4445 33.391 80.1811 0.00140295 -0.00401264 0.00458713 69
20542 6 C 35.14 34.5016 80.6955 0.00262266 -0.00264032 -0.000461483 69
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20548 12 C 31.1482 32.1927 81.1788 -0.000556346 -0.00651963 -0.000404813 69
20549 13 C 35.7729 28.8843 80.4276 0.00257296 0.00267898 0.00157451 69
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20551 15 C 35.1243 29.8409 78.3029 -0.00140651 -0.00218256 0.00214487 69
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20574 38 C 31.8771 29.7135 67.6732 0.000969105 0.00271599 0.0016478 69
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20585 49 C 31.9247 29.3966 65.0185 -0.00326766 -0.000324545 0.00331878 69
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20587 51 C 30.4293 31.8891 67.459 7.45138e-05 5.06695e-05 -0.00275979 69
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20593 57 C 34.4282 30.7889 63.0684 -0.00190319 0.00128728 -0.00334793 69
20594 58 C 34.4771 30.7435 61.5397 0.00225174 0.00541976 0.00105225 69
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20597 61 C 33.0014 29.5622 58.3728 -0.00249959 -2.12257e-05 0.000578821 69
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20600 64 C 32.7545 29.3131 54.443 9.70297e-05 -0.00609311 -0.00143354 69
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20602 66 C 32.4463 28.8696 52.0104 0.0004231 0.00265518 0.0013808 69
20603 67 C 32.2319 27.785 50.953 0.0012547 0.00144921 0.00223284 69
20604 68 C 32.0826 28.4362 49.5572 0.00122426 0.00109779 0.00121431 69
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20607 71 C 31.6629 26.1423 61.6443 0.000599407 0.00505464 0.00288836 69
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20609 73 C 32.4127 25.4236 59.2842 0.00442757 0.00255556 0.00203383 69
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20613 77 C 32.8085 24.4311 54.3425 -0.00113778 0.000955821 0.000997528 69
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20620 84 C 29.7459 31.6097 60.6042 -0.000728546 0.000774962 -0.00223528 69
20621 85 C 29.1153 31.728 59.2148 -0.000188852 0.00221404 -0.00422036 69
20622 86 C 29.3016 30.5421 58.2602 -0.00122964 0.00493609 0.00281873 69
20623 87 C 28.9031 30.9726 56.8724 0.00149875 0.00260083 -0.00455004 69
20624 88 C 28.8388 29.7746 55.9155 0.00174487 8.6575e-05 -0.000324587 69
20625 89 C 28.2294 30.143 54.5315 0.00281931 0.000724792 -0.000110059 69
20626 90 C 29.2037 30.8124 53.5236 0.000102161 0.000731428 -0.00229534 69
20627 91 C 28.5004 31.0615 52.1339 -0.00279055 0.00169144 0.00440089 69
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20630 94 C 29.79 32.4017 83.2629 -0.00237326 0.00305754 0.00126966 69
20631 95 C 29.7457 33.0326 84.6437 -0.00123064 0.000421856 0.00107277 69
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20633 97 C 28.4809 32.1601 86.6744 -0.0070139 0.00217553 0.000804204 69
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20635 99 C 28.6832 32.1728 89.1677 -0.00144518 0.00174083 0.00252949 69
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20638 102 C 28.8564 32.6849 93.1151 0.00127694 -0.00155702 -0.00471078 69
20639 103 C 28.182 31.9414 94.2503 0.00282096 -0.00399506 0.00284879 69
20640 104 C 28.5405 32.4 95.6866 0.00285249 0.00289415 0.000326404 69
20641 105 C 27.8942 31.4395 96.6825 -0.000929075 -0.00362841 -0.00255022 69
20642 106 C 35.831 35.8995 82.5888 0.00212824 -0.00451497 0.0007575 69
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20644 108 C 36.6692 37.3126 84.5758 -0.000480406 0.00234588 0.000462769 69
20645 109 C 36.4322 37.5632 86.0867 0.000837032 -0.000911892 -0.00189139 69
20646 110 C 37.2948 36.6777 86.9843 0.000730213 -0.000857598 0.00483842 69
20647 111 C 37.4372 37.2461 88.4251 -0.000744144 0.00320417 0.00254169 69
20648 112 C 36.4317 36.5958 89.4345 0.00191305 -0.00234534 0.000956877 69
20649 113 C 36.6661 37.1802 90.845 -0.00246736 0.00609376 0.00317105 69
20650 114 C 35.9944 36.4179 91.9787 -0.00290608 0.00272548 -0.00523216 69
20651 115 C 36.5107 36.775 93.3438 -0.00169694 -0.00595044 -0.00186344 69
20652 116 C 35.7477 36.0692 94.4753 0.00333331 0.00110413 -0.00251772 69
20653 117 C 36.4015 36.4095 95.8283 0.000188274 -0.00167301 -0.00357296 69
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20655 119 C 35.8922 28.9208 84.7976 0.000436062 -0.0017042 -0.00214604 69
20656 120 C 36.297 27.6209 85.4902 0.000833116 0.0010811 0.00158782 69
20657 121 C 37.0093 27.8226 86.8218 -0.00280641 0.000191269 -0.00169968 69
20658 122 C 36.0903 27.5751 88.0459 -0.00229858 -0.00235932 -0.00172679 69
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20660 124 C 36.1202 27.3839 90.6694 -0.000666867 0.00127106 0.000465821 69
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20662 126 C 36.2996 27.3958 93.2421 0.000381155 -0.00043672 -0.00154312 69
20663 127 C 37.2408 27.1292 94.4125 0.000767327 0.00081628 0.000337841 69
20664 128 C 36.522 27.348 95.7573 0.00082161 0.00317814 -0.00127116 69
20665 129 C 37.5044 27.1693 96.8943 -0.00422724 0.00438382 -0.00256459 69
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21142 2 C 43.8165 35.3229 78.568 -0.00108102 -0.00440228 0.002 71
21143 3 C 43.1506 34.3239 77.8597 6.12258e-05 0.00174866 0.00167221 71
21144 4 C 42.5096 33.3291 78.5939 -0.00235952 0.00389856 0.00058301 71
21145 5 C 42.4815 33.3334 80.0322 -0.00147338 0.00243536 -0.000306238 71
21146 6 C 43.1684 34.344 80.743 0.000925848 -0.0046965 0.00382861 71
21147 7 C 37.887 32.2186 79.7155 -0.00164415 0.00111446 0.000688706 71
21148 8 C 37.9857 32.2439 78.3384 -0.00416717 -0.0018701 -0.000207059 71
21149 9 C 39.2335 32.2104 77.7403 0.00481225 0.0010522 -0.00209144 71
21150 10 C 40.3945 32.1652 78.5488 -0.00166332 0.00289997 -0.00234964 71
21151 11 C 40.2987 32.1979 79.9624 -0.000617467 0.00213147 -0.00303992 71
21152 12 C 39.0248 32.2683 80.5481 -0.00032757 -8.28877e-05 0.00443433 71
21153 13 C 43.6225 28.7696 80.0294 0.00304174 0.000510042 0.00136135 71
21154 14 C 43.5823 28.7155 78.6685 0.00298265 0.0011967 0.00047355 71
21155 15 C 43.0159 29.773 77.9709 -0.00112771 -0.00469721 0.00332585 71
21156 16 C 42.4676 30.8944 78.6701 -0.00475916 0.00570059 0.00447269 71
21157 17 C 41.8226 32.0953 77.993 -7.15679e-05 -0.0018264 0.000596303 71
21158 18 O 43.4125 29.8509 82.1817 -0.00215948 0.000167569 -3.91963e-05 71
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21160 20 O 43.2917 34.3865 82.1087 -0.00040599 -0.00135029 0.000278818 71
21161 21 C 43.1233 29.864 80.8057 0.001085 -0.00273454 -0.00116565 71
21162 22 C 41.7743 32.006 76.5407 0.00186525 0.00233595 0.00269779 71
21163 23 C 41.6235 31.7853 75.3403 -0.00390751 -0.000357417 0.00042098 71
21164 24 C 41.2304 31.4324 74.0175 0.00213922 -0.00142442 -0.000300667 71
21165 25 C 40.3074 32.2057 73.3048 0.00407106 -0.00354242 -0.00384534 71
21166 26 C 39.8783 31.8137 72.0312 0.000680553 -0.00172641 0.00269131 71
21167 27 C 40.3508 30.6158 71.452 0.00120623 0.00127236 -0.00171179 71
21168 28 C 41.3494 29.8564 72.1585 0.00245627 -0.00667344 0.00186825 71
21169 29 C 41.7573 30.262 73.4671 0.00237907 -0.000381307 0.000314249 71
21170 30 C 39.9848 30.1777 70.1395 0.00447817 0.0020119 -0.00500628 71
21171 31 C 39.8241 29.8233 69.0038 0.0020128 -0.00161593 -0.00258639 71
21172 32 C 37.8046 26.1948 67.2557 0.000483248 0.00207235 0.00264059 71
21173 33 C 37.7791 26.1042 65.8496 -1.77154e-05 0.00270964 -0.0010563 71
21174 34 C 38.3789 27.075 65.0614 0.00262131 0.000402863 0.000606006 71
21175 35 C 38.9435 28.2085 65.6588 -0.00152063 0.00117872 0.00103972 71
21176 36 C 38.9715 28.2729 67.0935 -0.00039097 -0.00271764 -0.00633213 71
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