0 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 7.02352 6.15294 9.21892 6.90646 15.1231 8.66921 12.192 numMergedOcc 0
1 mol 64 unq 1 iso 0 dist 8.86433 9.10915 14.8927 7.02352 6.15294 9.21892 7.89535 15.9783 5.54343 11.6449 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.27009 8.64208 13.0612 7.9572 10.6864 7.99329 8.8254 15.268 6.99398 13.0148 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 5.80736 8.64208 11.8891 7.9572 6.3173 7.99329 8.8254 14.0839 6.99398 13.0148 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 9.90256 5.26938 5.30415 8.91602 11.2095 7.40574 5.38943 14.3873 9.1329 9.03114 numMergedOcc 0
5 mol 87 unq 1 iso 0 dist 9.90256 5.26938 5.30415 8.91602 11.2095 7.40574 6.69898 7.57471 6.8014 11.835 numMergedOcc 0
6 mol 87 unq 2 iso 0 dist 9.90256 8.91602 11.2095 5.26938 5.30415 7.40574 5.38943 14.3873 9.03114 9.1329 numMergedOcc 0
7 mol 87 unq 3 iso 0 dist 5.62336 9.1329 5.507 9.33217 5.76272 10.5639 5.38943 5.63748 5.26938 11.099 numMergedOcc 0
8 mol 87 unq 4 iso 0 dist 5.62336 9.1329 5.507 9.33217 5.76272 10.5639 11.9011 11.1249 6.8014 16.6393 numMergedOcc 0
9 mol 87 unq 5 iso 0 dist 5.62336 9.1329 5.507 9.03114 7.26523 7.40574 5.38943 5.63748 5.26938 8.91602 numMergedOcc 0
10 mol 87 unq 6 iso 0 dist 5.62336 9.1329 5.507 9.03114 7.26523 7.40574 11.9011 11.1249 6.8014 11.835 numMergedOcc 0
11 mol 87 unq 7 iso 0 dist 5.62336 9.03114 7.26523 9.1329 5.507 7.40574 5.38943 5.63748 8.91602 5.26938 numMergedOcc 0
12 mol 87 unq 8 iso 0 dist 5.62336 9.03114 7.26523 9.33217 5.76272 11.1798 5.38943 5.63748 8.91602 11.099 numMergedOcc 0
13 mol 87 unq 9 iso 0 dist 5.63748 5.26938 5.507 8.91602 7.26523 7.40574 5.38943 5.62336 9.1329 9.03114 numMergedOcc 0
14 mol 87 unq 10 iso 0 dist 5.63748 5.26938 5.507 8.91602 7.26523 7.40574 6.69898 11.1249 6.8014 11.835 numMergedOcc 0
15 mol 87 unq 11 iso 0 dist 5.63748 8.91602 7.26523 5.26938 5.507 7.40574 5.38943 5.62336 9.03114 9.1329 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 9.41083 6.20658 4.45342 7.83568 11.8582 10.2788 5.54133 9.67606 6.09472 12.9952 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 9.41083 6.20658 4.45342 7.83568 11.8582 10.2788 7.12394 12.907 8.93552 8.35604 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 9.41083 7.83568 11.8582 6.20658 4.45342 10.2788 7.12394 12.907 8.35604 8.93552 numMergedOcc 0
19 mol 127 unq 0 iso 0 dist 5.83719 8.62711 11.2447 6.65963 4.98711 7.30196 6.87199 12.452 7.73139 11.1225 numMergedOcc 0
20 mol 127 unq 1 iso 0 dist 5.83719 8.62711 11.2447 6.65963 4.98711 7.30196 12.663 16.1534 6.66607 12.2522 numMergedOcc 0
21 mol 132 unq 0 iso 0 dist 6.94745 6.495 5.28089 9.43748 4.50065 4.35917 11.8902 10.9107 6.2403 8.34869 numMergedOcc 0
22 mol 132 unq 1 iso 0 dist 6.94745 9.43748 4.50065 6.495 5.28089 4.35917 11.8902 10.9107 8.34869 6.2403 numMergedOcc 0
23 mol 220 unq 0 iso 0 dist 6.39087 7.30244 12.2765 7.29796 13.2427 6.89336 6.99846 9.86144 9.58343 12.0159 numMergedOcc 0
24 mol 240 unq 0 iso 0 dist 7.19218 6.83069 5.36005 9.30995 4.4564 4.28414 12.4409 10.5367 6.01168 7.72928 numMergedOcc 0
25 mol 240 unq 1 iso 0 dist 7.19218 9.30995 4.4564 6.83069 5.36005 4.28414 12.4409 10.5367 7.72928 6.01168 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 8.10903 8.81059 5.90131 9.67877 13.3533 17.2075 7.64421 11.866 7.9357 17.1491 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 8.10903 8.81059 5.90131 9.12006 9.68064 5.30627 7.64421 11.866 7.9357 5.79537 numMergedOcc 0
28 mol 258 unq 2 iso 0 dist 8.10903 9.12006 9.68064 9.67877 13.3533 18.4031 16.5108 17.7492 9.47519 26.1702 numMergedOcc 0
29 mol 258 unq 3 iso 0 dist 8.10903 9.12006 9.68064 9.67877 13.3533 18.4031 7.64421 11.866 5.79537 17.1491 numMergedOcc 0
30 mol 258 unq 4 iso 0 dist 8.10903 9.12006 9.68064 8.81059 5.90131 5.30627 16.5108 17.7492 9.47519 11.9494 numMergedOcc 0
31 mol 258 unq 5 iso 0 dist 8.10903 9.12006 9.68064 8.81059 5.90131 5.30627 7.64421 11.866 5.79537 7.9357 numMergedOcc 0
32 mol 258 unq 6 iso 0 dist 8.70193 7.9357 4.51422 5.79537 4.99997 5.30627 7.64421 7.25618 8.81059 9.12006 numMergedOcc 0
33 mol 258 unq 7 iso 0 dist 8.70193 5.79537 4.99997 7.9357 4.51422 5.30627 9.22956 14.1931 9.47519 11.9494 numMergedOcc 0
34 mol 258 unq 8 iso 0 dist 8.70193 5.79537 4.99997 7.9357 4.51422 5.30627 7.64421 7.25618 9.12006 8.81059 numMergedOcc 0
35 mol 258 unq 9 iso 0 dist 7.25618 8.81059 4.51422 9.67877 15.0574 17.2075 7.64421 8.70193 7.9357 17.1491 numMergedOcc 0
36 mol 258 unq 10 iso 0 dist 7.25618 8.81059 4.51422 9.12006 4.99997 5.30627 7.64421 8.70193 7.9357 5.79537 numMergedOcc 0
37 mol 258 unq 11 iso 0 dist 7.25618 9.12006 4.99997 9.67877 15.0574 18.4031 16.5108 14.1931 9.47519 26.1702 numMergedOcc 0
38 mol 258 unq 12 iso 0 dist 7.25618 9.12006 4.99997 9.67877 15.0574 18.4031 7.64421 8.70193 5.79537 17.1491 numMergedOcc 0
39 mol 258 unq 13 iso 0 dist 7.25618 9.12006 4.99997 8.81059 4.51422 5.30627 16.5108 14.1931 9.47519 11.9494 numMergedOcc 0
40 mol 258 unq 14 iso 0 dist 7.25618 9.12006 4.99997 8.81059 4.51422 5.30627 7.64421 8.70193 5.79537 7.9357 numMergedOcc 0
41 mol 284 unq 0 iso 0 dist 7.66585 7.35866 7.26724 7.32482 5.44847 5.87439 8.53089 13.0301 7.2795 9.41428 numMergedOcc 0
42 mol 284 unq 1 iso 0 dist 7.66585 7.32482 5.44847 7.35866 7.26724 5.87439 8.53089 13.0301 9.41428 7.2795 numMergedOcc 0
43 mol 284 unq 2 iso 0 dist 7.66585 7.32482 5.44847 7.35866 7.26724 5.87439 9.79667 10.6854 8.08993 13.262 numMergedOcc 0
44 mol 284 unq 3 iso 0 dist 7.74965 8.08993 4.76222 7.34344 13.4636 13.5089 13.5143 14.0825 9.41428 17.1801 numMergedOcc 0
45 mol 284 unq 4 iso 0 dist 7.74965 8.08993 4.76222 7.34344 13.4636 13.5089 9.79667 10.7421 7.32482 10.9927 numMergedOcc 0
