0 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 6.90646 15.1231 8.66921 7.89535 15.9783 5.54343 6.36389 numMergedOcc 0
1 mol 64 unq 0 iso 1 dist 8.86433 9.10915 14.8927 7.89535 15.9783 5.54343 6.90646 15.1231 8.66921 6.36389 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 5.66803 5.54343 5.9853 7.89535 13.034 9.10915 6.36389 10.2564 8.66921 6.90646 numMergedOcc 0
3 mol 64 unq 1 iso 1 dist 5.66803 5.54343 5.9853 6.36389 10.2564 8.66921 7.89535 13.034 9.10915 6.90646 numMergedOcc 0
4 mol 87 unq 0 iso 0 dist 9.90256 5.26938 5.30415 5.38943 14.3873 9.1329 6.69898 7.57471 6.8014 11.9011 numMergedOcc 0
5 mol 87 unq 0 iso 1 dist 9.90256 5.26938 5.30415 6.69898 7.57471 6.8014 5.38943 14.3873 9.1329 11.9011 numMergedOcc 0
6 mol 87 unq 1 iso 0 dist 7.57471 6.8014 5.30415 11.9011 14.3873 9.1329 6.69898 9.90256 5.26938 5.38943 numMergedOcc 0
7 mol 87 unq 1 iso 1 dist 7.57471 6.8014 5.30415 6.69898 9.90256 5.26938 11.9011 14.3873 9.1329 5.38943 numMergedOcc 0
8 mol 87 unq 2 iso 0 dist 5.62336 9.1329 5.507 5.38943 5.63748 5.26938 11.9011 11.1249 6.8014 6.69898 numMergedOcc 0
9 mol 87 unq 2 iso 1 dist 5.62336 9.1329 5.507 11.9011 11.1249 6.8014 5.38943 5.63748 5.26938 6.69898 numMergedOcc 0
10 mol 87 unq 3 iso 0 dist 5.63748 5.26938 5.507 5.38943 5.62336 9.1329 6.69898 11.1249 6.8014 11.9011 numMergedOcc 0
11 mol 87 unq 3 iso 1 dist 5.63748 5.26938 5.507 6.69898 11.1249 6.8014 5.38943 5.62336 9.1329 11.9011 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 8.80824 6.09472 6.80053 9.38788 15.205 8.93552 5.54133 11.8022 6.20658 7.12394 numMergedOcc 0
13 mol 115 unq 0 iso 1 dist 8.80824 6.09472 6.80053 5.54133 11.8022 6.20658 9.38788 15.205 8.93552 7.12394 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 9.67606 6.09472 4.45342 9.38788 12.907 8.93552 5.54133 9.41083 6.20658 7.12394 numMergedOcc 0
15 mol 115 unq 1 iso 1 dist 9.67606 6.09472 4.45342 5.54133 9.41083 6.20658 9.38788 12.907 8.93552 7.12394 numMergedOcc 0
16 mol 115 unq 2 iso 0 dist 9.41083 6.20658 4.45342 5.54133 9.67606 6.09472 7.12394 12.907 8.93552 9.38788 numMergedOcc 0
17 mol 115 unq 2 iso 1 dist 9.41083 6.20658 4.45342 7.12394 12.907 8.93552 5.54133 9.67606 6.09472 9.38788 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 5.83719 8.62711 11.2447 6.87199 12.452 7.73139 12.663 16.1534 6.66607 8.63406 numMergedOcc 0
19 mol 127 unq 0 iso 1 dist 5.83719 8.62711 11.2447 12.663 16.1534 6.66607 6.87199 12.452 7.73139 8.63406 numMergedOcc 0
20 mol 174 unq 0 iso 0 dist 8.16228 7.03029 4.69892 9.84289 9.10995 4.93781 9.90172 13.805 9.32818 7.04909 numMergedOcc 0
21 mol 174 unq 0 iso 1 dist 8.16228 7.03029 4.69892 9.90172 13.805 9.32818 9.84289 9.10995 4.93781 7.04909 numMergedOcc 0
22 mol 174 unq 1 iso 0 dist 8.57467 7.03029 4.99043 9.84289 9.45435 4.93781 9.90172 12.3549 9.32818 7.04909 numMergedOcc 0
23 mol 174 unq 1 iso 1 dist 8.57467 7.03029 4.99043 9.90172 12.3549 9.32818 9.84289 9.45435 4.93781 7.04909 numMergedOcc 0
24 mol 258 unq 0 iso 0 dist 8.10903 9.12006 9.68064 16.5108 17.7492 9.47519 7.64421 11.866 5.79537 9.22956 numMergedOcc 0
25 mol 258 unq 0 iso 1 dist 8.10903 9.12006 9.68064 7.64421 11.866 5.79537 16.5108 17.7492 9.47519 9.22956 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 8.70193 5.79537 4.99997 9.22956 14.1931 9.47519 7.64421 7.25618 9.12006 16.5108 numMergedOcc 0
27 mol 258 unq 1 iso 1 dist 8.70193 5.79537 4.99997 7.64421 7.25618 9.12006 9.22956 14.1931 9.47519 16.5108 numMergedOcc 0
28 mol 258 unq 2 iso 0 dist 7.25618 9.12006 4.99997 16.5108 14.1931 9.47519 7.64421 8.70193 5.79537 9.22956 numMergedOcc 0
29 mol 258 unq 2 iso 1 dist 7.25618 9.12006 4.99997 7.64421 8.70193 5.79537 16.5108 14.1931 9.47519 9.22956 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 7.66585 7.32482 5.44847 8.53089 13.0301 9.41428 9.79667 10.6854 8.08993 13.5143 numMergedOcc 0
31 mol 284 unq 0 iso 1 dist 7.66585 7.32482 5.44847 9.79667 10.6854 8.08993 8.53089 13.0301 9.41428 13.5143 numMergedOcc 0
32 mol 284 unq 1 iso 0 dist 7.74965 8.08993 4.76222 13.5143 14.0825 9.41428 9.79667 10.7421 7.32482 8.53089 numMergedOcc 0
33 mol 284 unq 1 iso 1 dist 7.74965 8.08993 4.76222 9.79667 10.7421 7.32482 13.5143 14.0825 9.41428 8.53089 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 9.18785 8.98486 5.37435 5.69849 6.45597 7.13655 7.02409 11.4627 8.70152 6.44062 numMergedOcc 0
35 mol 287 unq 0 iso 1 dist 9.18785 8.98486 5.37435 7.02409 11.4627 8.70152 5.69849 6.45597 7.13655 6.44062 numMergedOcc 0
36 mol 287 unq 1 iso 0 dist 6.45597 7.13655 5.37435 5.69849 9.18785 8.98486 6.44062 11.4627 8.70152 7.02409 numMergedOcc 0
37 mol 287 unq 1 iso 1 dist 6.45597 7.13655 5.37435 6.44062 11.4627 8.70152 5.69849 9.18785 8.98486 7.02409 numMergedOcc 0
38 mol 288 unq 0 iso 0 dist 9.18785 8.98486 5.37435 5.69849 6.45597 7.13655 7.02409 11.4627 8.70152 6.44062 numMergedOcc 0
39 mol 288 unq 0 iso 1 dist 9.18785 8.98486 5.37435 7.02409 11.4627 8.70152 5.69849 6.45597 7.13655 6.44062 numMergedOcc 0
40 mol 288 unq 1 iso 0 dist 6.45597 7.13655 5.37435 5.69849 9.18785 8.98486 6.44062 11.4627 8.70152 7.02409 numMergedOcc 0
41 mol 288 unq 1 iso 1 dist 6.45597 7.13655 5.37435 6.44062 11.4627 8.70152 5.69849 9.18785 8.98486 7.02409 numMergedOcc 0
42 mol 289 unq 0 iso 0 dist 9.18785 8.98486 5.37435 5.69849 6.45597 7.13655 7.02409 11.4627 8.70152 6.44062 numMergedOcc 0
43 mol 289 unq 0 iso 1 dist 9.18785 8.98486 5.37435 7.02409 11.4627 8.70152 5.69849 6.45597 7.13655 6.44062 numMergedOcc 0
44 mol 289 unq 1 iso 0 dist 6.45597 7.13655 5.37435 5.69849 9.18785 8.98486 6.44062 11.4627 8.70152 7.02409 numMergedOcc 0
45 mol 289 unq 1 iso 1 dist 6.45597 7.13655 5.37435 6.44062 11.4627 8.70152 5.69849 9.18785 8.98486 7.02409 numMergedOcc 0
