0 mol 0 unq 0 iso 0 dist 7.65806 9.19007 9.64573 6.91778 9.15528 14.0232 6.0225 9.72725 6.94943 12.8524 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 5.99972 12.0193 7.25346 12.8323 9.87885 8.15894 14.8356 numMergedOcc 0
2 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 5.99972 12.0193 10.0658 12.8323 9.87885 8.45544 14.8356 numMergedOcc 0
3 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 8.72114 13.8829 10.1959 7.12508 6.1206 8.15894 11.2901 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 9.78006 3.98483 9.62394 9.5997 7.28672 5.84314 5.8245 7.05919 10.9352 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.86116 6.72502 6.58998 8.60554 8.52463 6.99746 5.11636 7.95042 8.24948 5.80953 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.86116 6.72502 6.58998 8.44664 10.971 7.6844 5.11636 7.95042 8.24948 12.8213 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.86116 6.72502 6.58998 9.44691 13.4893 7.05541 5.11636 7.95042 8.24948 11.7489 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.38394 6.72502 6.59374 8.60554 12.3994 6.99746 5.11636 10.9819 8.24948 5.80953 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.38394 6.72502 6.59374 8.44664 5.30734 7.6844 5.11636 10.9819 8.24948 12.8213 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.38394 6.72502 6.59374 9.44691 12.505 7.05541 5.11636 10.9819 8.24948 11.7489 numMergedOcc 0
11 mol 59 unq 0 iso 0 dist 7.17396 8.64015 11.0904 8.08618 6.90592 5.9995 6.08003 12.4823 7.17026 9.87767 numMergedOcc 0
12 mol 59 unq 1 iso 0 dist 9.21998 8.64015 12.9211 8.08618 7.6021 5.9995 6.08003 13.2239 7.17026 9.87767 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 9.33898 6.61823 6.08245 8.91313 17.5889 14.4996 5.31547 10.9241 6.98037 12.273 numMergedOcc 0
14 mol 92 unq 1 iso 0 dist 9.33898 6.61823 6.08245 8.91313 17.5889 14.4996 4.3481 7.06939 6.9223 12.7637 numMergedOcc 0
15 mol 92 unq 2 iso 0 dist 9.33898 6.61823 6.08245 8.16392 10.8304 6.90324 5.31547 10.9241 6.98037 10.9647 numMergedOcc 0
16 mol 92 unq 3 iso 0 dist 9.33898 6.61823 6.08245 8.16392 10.8304 6.90324 4.3481 7.06939 6.9223 11.1106 numMergedOcc 0
17 mol 92 unq 4 iso 0 dist 9.33898 6.49956 6.86728 8.91313 17.5889 12.0757 4.3481 7.06939 7.0561 12.7637 numMergedOcc 0
18 mol 92 unq 5 iso 0 dist 9.33898 6.49956 6.86728 8.16392 10.8304 7.64508 4.3481 7.06939 7.0561 11.1106 numMergedOcc 0
19 mol 92 unq 6 iso 0 dist 9.64443 6.61823 7.24315 8.91313 13.3881 14.4996 5.31547 9.36001 6.98037 12.273 numMergedOcc 0
20 mol 92 unq 7 iso 0 dist 9.64443 6.61823 7.24315 8.91313 13.3881 14.4996 4.3481 12.4681 6.9223 12.7637 numMergedOcc 0
21 mol 92 unq 8 iso 0 dist 9.64443 6.61823 7.24315 8.16392 5.90097 6.90324 5.31547 9.36001 6.98037 10.9647 numMergedOcc 0
22 mol 92 unq 9 iso 0 dist 9.64443 6.61823 7.24315 8.16392 5.90097 6.90324 4.3481 12.4681 6.9223 11.1106 numMergedOcc 0
23 mol 92 unq 10 iso 0 dist 9.64443 6.49956 12.163 8.91313 13.3881 12.0757 4.3481 12.4681 7.0561 12.7637 numMergedOcc 0
24 mol 92 unq 11 iso 0 dist 9.64443 6.49956 12.163 8.16392 5.90097 7.64508 4.3481 12.4681 7.0561 11.1106 numMergedOcc 0
25 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 6.65501 4.4057 11.2092 3.9764 5.10496 8.75597 4.62494 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 6.48948 7.26086 13.4985 6.65501 7.42446 11.2092 3.9764 5.92242 8.75597 4.62494 numMergedOcc 0
27 mol 98 unq 2 iso 0 dist 6.10456 7.26086 6.934 6.65501 9.67482 11.2092 3.9764 5.2571 8.75597 4.62494 numMergedOcc 0
28 mol 131 unq 0 iso 0 dist 6.85062 9.29384 9.32969 8.70296 14.2045 10.8127 12.6005 14.4508 6.78801 12.7349 numMergedOcc 0
29 mol 131 unq 1 iso 0 dist 6.85062 9.29384 9.32969 9.25558 5.09131 11.2516 12.6005 14.4508 6.78801 17.5196 numMergedOcc 0
30 mol 143 unq 0 iso 0 dist 5.99315 7.25673 9.23795 7.78652 6.48978 6.60479 4.78563 5.37047 8.612 5.06564 numMergedOcc 0
31 mol 143 unq 1 iso 0 dist 5.99315 7.25673 9.23795 8.91301 5.20762 7.54337 4.78563 5.37047 8.612 7.5373 numMergedOcc 0
32 mol 170 unq 0 iso 0 dist 9.76807 8.15099 7.72147 6.35982 4.34698 7.29587 4.78249 9.51256 5.13268 6.47164 numMergedOcc 0
33 mol 170 unq 1 iso 0 dist 9.76807 8.15099 7.72147 7.51126 5.75144 8.73585 4.78249 9.51256 5.13268 9.65126 numMergedOcc 0
34 mol 224 unq 0 iso 0 dist 9.40098 8.37597 6.77927 9.51597 4.98993 10.1672 5.13732 11.2501 8.54702 10.7847 numMergedOcc 0
35 mol 224 unq 1 iso 0 dist 6.61986 8.37597 4.59567 9.51597 12.4692 10.1672 5.13732 8.08349 8.54702 10.7847 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 9.34734 8.03442 10.2525 7.43071 6.00424 12.8075 5.0317 10.7855 9.43618 9.18728 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 9.34734 8.03442 10.2525 5.41321 10.7656 4.59123 5.0317 10.7855 9.43618 8.91971 numMergedOcc 0
38 mol 227 unq 2 iso 0 dist 7.22101 8.03442 10.5813 7.43071 6.35849 12.8075 5.0317 5.23634 9.43618 9.18728 numMergedOcc 0
39 mol 227 unq 3 iso 0 dist 7.22101 8.03442 10.5813 5.41321 10.9607 4.59123 5.0317 5.23634 9.43618 8.91971 numMergedOcc 0
40 mol 227 unq 4 iso 0 dist 8.65997 8.03442 7.22396 7.43071 10.204 12.8075 5.0317 6.91318 9.43618 9.18728 numMergedOcc 0
41 mol 227 unq 5 iso 0 dist 8.65997 8.03442 7.22396 5.41321 9.72615 4.59123 5.0317 6.91318 9.43618 8.91971 numMergedOcc 0
42 mol 227 unq 6 iso 0 dist 7.56888 8.03442 6.10296 7.43071 9.76735 12.8075 5.0317 11.2661 9.43618 9.18728 numMergedOcc 0
43 mol 227 unq 7 iso 0 dist 7.56888 8.03442 6.10296 5.41321 5.10635 4.59123 5.0317 11.2661 9.43618 8.91971 numMergedOcc 0
44 mol 227 unq 8 iso 0 dist 7.55216 8.03442 9.69537 7.43071 9.32448 12.8075 5.0317 12.3663 9.43618 9.18728 numMergedOcc 0
45 mol 227 unq 9 iso 0 dist 7.55216 8.03442 9.69537 5.41321 6.48027 4.59123 5.0317 12.3663 9.43618 8.91971 numMergedOcc 0
