0 mol 0 unq 0 iso 0 dist 6.8892 5.55156 5.85361 6.82018 13.3928 9.5614 numMergedOcc 0
1 mol 4 unq 0 iso 0 dist 6.12485 6.66589 6.56189 6.21697 6.86951 9.80478 numMergedOcc 0
2 mol 4 unq 1 iso 0 dist 6.86951 9.80478 6.56189 6.21697 6.12485 6.66589 numMergedOcc 0
3 mol 4 unq 2 iso 0 dist 9.04027 6.66589 6.22773 6.21697 14.3341 9.80478 numMergedOcc 0
4 mol 22 unq 0 iso 0 dist 9.32616 8.0931 7.32832 4.46853 11.1416 9.109 numMergedOcc 0
5 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 6.90646 15.1231 8.66921 numMergedOcc 0
6 mol 64 unq 1 iso 0 dist 8.86433 9.10915 14.8927 7.89535 15.9783 5.54343 numMergedOcc 0
7 mol 64 unq 2 iso 0 dist 5.66803 5.54343 5.9853 7.89535 13.034 9.10915 numMergedOcc 0
8 mol 64 unq 3 iso 0 dist 5.66803 5.54343 5.9853 6.36389 10.2564 8.66921 numMergedOcc 0
9 mol 67 unq 0 iso 0 dist 8.27009 8.64208 13.0612 8.8254 15.268 6.99398 numMergedOcc 0
10 mol 67 unq 1 iso 0 dist 5.80736 8.64208 11.8891 8.8254 14.0839 6.99398 numMergedOcc 0
11 mol 73 unq 0 iso 0 dist 8.90896 5.79954 4.78435 8.4863 10.6837 7.01889 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 7.48127 4.83274 10.6009 10.5047 11.1162 7.89214 numMergedOcc 0
13 mol 87 unq 0 iso 0 dist 9.90256 5.26938 5.30415 5.38943 14.3873 9.1329 numMergedOcc 0
14 mol 87 unq 1 iso 0 dist 9.90256 5.26938 5.30415 6.69898 7.57471 6.8014 numMergedOcc 0
15 mol 87 unq 2 iso 0 dist 9.90256 8.91602 11.2095 5.38943 14.3873 9.03114 numMergedOcc 0
16 mol 87 unq 3 iso 0 dist 7.57471 6.8014 5.30415 11.9011 14.3873 9.1329 numMergedOcc 0
17 mol 87 unq 4 iso 0 dist 7.57471 6.8014 5.30415 6.69898 9.90256 5.26938 numMergedOcc 0
18 mol 87 unq 5 iso 0 dist 5.62336 9.1329 5.507 5.38943 5.63748 5.26938 numMergedOcc 0
19 mol 87 unq 6 iso 0 dist 5.62336 9.1329 5.507 11.9011 11.1249 6.8014 numMergedOcc 0
20 mol 87 unq 7 iso 0 dist 5.62336 9.03114 7.26523 5.38943 5.63748 8.91602 numMergedOcc 0
21 mol 87 unq 8 iso 0 dist 5.63748 5.26938 5.507 5.38943 5.62336 9.1329 numMergedOcc 0
22 mol 87 unq 9 iso 0 dist 5.63748 5.26938 5.507 6.69898 11.1249 6.8014 numMergedOcc 0
23 mol 87 unq 10 iso 0 dist 5.63748 8.91602 7.26523 5.38943 5.62336 9.03114 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 8.80824 6.09472 6.80053 9.38788 15.205 8.93552 numMergedOcc 0
25 mol 115 unq 1 iso 0 dist 8.80824 6.09472 6.80053 5.54133 11.8022 6.20658 numMergedOcc 0
26 mol 115 unq 2 iso 0 dist 9.67606 6.09472 4.45342 9.38788 12.907 8.93552 numMergedOcc 0
27 mol 115 unq 3 iso 0 dist 9.67606 6.09472 4.45342 5.54133 9.41083 6.20658 numMergedOcc 0
28 mol 115 unq 4 iso 0 dist 9.41083 6.20658 4.45342 5.54133 9.67606 6.09472 numMergedOcc 0
29 mol 115 unq 5 iso 0 dist 9.41083 6.20658 4.45342 7.12394 12.907 8.93552 numMergedOcc 0
30 mol 115 unq 6 iso 0 dist 9.41083 7.83568 11.8582 7.12394 12.907 8.35604 numMergedOcc 0
31 mol 127 unq 0 iso 0 dist 5.83719 8.62711 11.2447 6.87199 12.452 7.73139 numMergedOcc 0
32 mol 127 unq 1 iso 0 dist 5.83719 8.62711 11.2447 12.663 16.1534 6.66607 numMergedOcc 0
33 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 11.8902 10.9107 6.2403 numMergedOcc 0
34 mol 132 unq 1 iso 0 dist 6.94745 9.43748 4.50065 11.8902 10.9107 8.34869 numMergedOcc 0
35 mol 162 unq 0 iso 0 dist 7.30751 8.15223 7.87851 10.9385 11.9611 8.06091 numMergedOcc 0
36 mol 168 unq 0 iso 0 dist 9.11481 8.8573 5.06947 6.11195 7.41092 9.35182 numMergedOcc 0
37 mol 168 unq 1 iso 0 dist 7.41092 9.35182 5.06947 6.11195 9.11481 8.8573 numMergedOcc 0
38 mol 174 unq 0 iso 0 dist 8.16228 7.03029 4.69892 9.84289 9.10995 4.93781 numMergedOcc 0
39 mol 174 unq 1 iso 0 dist 8.16228 7.03029 4.69892 9.90172 13.805 9.32818 numMergedOcc 0
40 mol 174 unq 2 iso 0 dist 8.57467 7.03029 4.99043 9.84289 9.45435 4.93781 numMergedOcc 0
41 mol 174 unq 3 iso 0 dist 8.57467 7.03029 4.99043 9.90172 12.3549 9.32818 numMergedOcc 0
42 mol 214 unq 0 iso 0 dist 7.82201 9.40003 17.1162 17.6476 25.4006 8.68385 numMergedOcc 0
43 mol 220 unq 0 iso 0 dist 6.39087 7.30244 12.2765 6.99846 9.86144 9.58343 numMergedOcc 0
44 mol 220 unq 1 iso 0 dist 9.86144 9.58343 12.2765 6.99846 6.39087 7.30244 numMergedOcc 0
45 mol 230 unq 0 iso 0 dist 9.24729 8.33847 12.2372 5.96129 14.8863 9.12305 numMergedOcc 0
46 mol 240 unq 0 iso 0 dist 7.19218 6.83069 5.36005 12.4409 10.5367 6.01168 numMergedOcc 0
47 mol 240 unq 1 iso 0 dist 7.19218 9.30995 4.4564 12.4409 10.5367 7.72928 numMergedOcc 0
48 mol 258 unq 0 iso 0 dist 8.10903 8.81059 5.90131 7.64421 11.866 7.9357 numMergedOcc 0
49 mol 258 unq 1 iso 0 dist 8.10903 9.12006 9.68064 16.5108 17.7492 9.47519 numMergedOcc 0
50 mol 258 unq 2 iso 0 dist 8.10903 9.12006 9.68064 7.64421 11.866 5.79537 numMergedOcc 0
51 mol 258 unq 3 iso 0 dist 8.70193 7.9357 4.51422 7.64421 7.25618 8.81059 numMergedOcc 0
52 mol 258 unq 4 iso 0 dist 8.70193 5.79537 4.99997 9.22956 14.1931 9.47519 numMergedOcc 0
53 mol 258 unq 5 iso 0 dist 8.70193 5.79537 4.99997 7.64421 7.25618 9.12006 numMergedOcc 0
54 mol 258 unq 6 iso 0 dist 7.25618 8.81059 4.51422 7.64421 8.70193 7.9357 numMergedOcc 0
55 mol 258 unq 7 iso 0 dist 7.25618 9.12006 4.99997 16.5108 14.1931 9.47519 numMergedOcc 0
56 mol 258 unq 8 iso 0 dist 7.25618 9.12006 4.99997 7.64421 8.70193 5.79537 numMergedOcc 0
57 mol 261 unq 0 iso 0 dist 7.58385 8.50313 6.88989 4.70691 9.25991 7.6414 numMergedOcc 0
58 mol 261 unq 1 iso 0 dist 6.0437 8.50313 4.25662 4.70691 4.85199 7.6414 numMergedOcc 0
59 mol 261 unq 2 iso 0 dist 4.85199 7.6414 4.25662 4.70691 6.0437 8.50313 numMergedOcc 0
60 mol 261 unq 3 iso 0 dist 9.72159 7.6414 12.864 4.70691 13.9529 8.50313 numMergedOcc 0
61 mol 279 unq 0 iso 0 dist 8.03486 6.47376 4.51031 6.22487 12.7328 9.6147 numMergedOcc 0
62 mol 281 unq 0 iso 0 dist 6.58925 9.48968 9.49279 7.20467 10.1906 9.64422 numMergedOcc 0
63 mol 284 unq 0 iso 0 dist 7.66585 7.35866 7.26724 8.53089 13.0301 7.2795 numMergedOcc 0
64 mol 284 unq 1 iso 0 dist 7.66585 7.32482 5.44847 8.53089 13.0301 9.41428 numMergedOcc 0
65 mol 284 unq 2 iso 0 dist 7.66585 7.32482 5.44847 9.79667 10.6854 8.08993 numMergedOcc 0
66 mol 284 unq 3 iso 0 dist 7.74965 8.08993 4.76222 13.5143 14.0825 9.41428 numMergedOcc 0
67 mol 284 unq 4 iso 0 dist 7.74965 8.08993 4.76222 9.79667 10.7421 7.32482 numMergedOcc 0
68 mol 287 unq 0 iso 0 dist 9.18785 8.98486 5.37435 5.69849 6.45597 7.13655 numMergedOcc 0
69 mol 287 unq 1 iso 0 dist 9.18785 8.98486 5.37435 7.02409 11.4627 8.70152 numMergedOcc 0
70 mol 287 unq 2 iso 0 dist 6.45597 7.13655 5.37435 5.69849 9.18785 8.98486 numMergedOcc 0
71 mol 287 unq 3 iso 0 dist 6.45597 7.13655 5.37435 6.44062 11.4627 8.70152 numMergedOcc 0
72 mol 288 unq 0 iso 0 dist 9.18785 8.98486 5.37435 5.69849 6.45597 7.13655 numMergedOcc 0
73 mol 288 unq 1 iso 0 dist 9.18785 8.98486 5.37435 7.02409 11.4627 8.70152 numMergedOcc 0
74 mol 288 unq 2 iso 0 dist 6.45597 7.13655 5.37435 5.69849 9.18785 8.98486 numMergedOcc 0
75 mol 288 unq 3 iso 0 dist 6.45597 7.13655 5.37435 6.44062 11.4627 8.70152 numMergedOcc 0
76 mol 289 unq 0 iso 0 dist 9.18785 8.98486 5.37435 5.69849 6.45597 7.13655 numMergedOcc 0
77 mol 289 unq 1 iso 0 dist 9.18785 8.98486 5.37435 7.02409 11.4627 8.70152 numMergedOcc 0
78 mol 289 unq 2 iso 0 dist 6.45597 7.13655 5.37435 5.69849 9.18785 8.98486 numMergedOcc 0
79 mol 289 unq 3 iso 0 dist 6.45597 7.13655 5.37435 6.44062 11.4627 8.70152 numMergedOcc 0
