0 mol 26 unq 0 iso 0 dist 7.46207 9.56639 5.56139 7.35595 8.82012 5.84066 15.3546 13.2136 8.25132 9.16962 numMergedOcc 0
1 mol 72 unq 0 iso 0 dist 6.68311 9.26417 4.03844 13.1473 6.77912 6.53824 10.1695 5.36766 6.19288 8.624 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.62246 8.8326 5.31985 9.82998 6.21982 9.4866 12.885 10.2879 15.4159 8.19682 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 5.70279 5.30117 5.47563 11.8754 7.75343 12.1809 11.3277 5.88134 10.8282 6.58204 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.84523 7.22752 6.35679 5.38332 5.87358 8.38791 9.45397 4.98336 4.94189 9.20981 numMergedOcc 0
5 mol 109 unq 1 iso 0 dist 9.45397 7.22752 4.94189 5.38332 9.20981 8.38791 8.84523 4.98336 6.35679 5.87358 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 8.88255 6.88175 6.9194 10.06 9.63176 6.55202 12.7943 11.6667 6.30721 7.39889 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 8.88255 6.88175 6.9194 10.06 9.63176 6.55202 16.6272 12.4603 12.4621 7.44174 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 8.88255 9.98931 13.3292 10.06 9.63176 18.463 12.7943 11.6667 17.6954 7.39889 numMergedOcc 0
9 mol 119 unq 3 iso 0 dist 8.88255 9.98931 13.3292 10.06 9.63176 18.463 16.6272 12.4603 24.3473 7.44174 numMergedOcc 0
10 mol 119 unq 4 iso 0 dist 8.88255 8.47642 10.1294 10.06 9.63176 16.8984 12.7943 11.6667 17.9084 7.39889 numMergedOcc 0
11 mol 119 unq 5 iso 0 dist 8.88255 8.47642 10.1294 10.06 9.63176 16.8984 16.6272 12.4603 21.9935 7.44174 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 6.54987 6.41759 5.91192 6.63186 7.77454 5.52149 10.9185 7.93571 11.5407 8.94837 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 5.68636 8.14405 4.91785 6.79302 7.36102 5.36254 13.3396 10.7616 7.10286 7.39644 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 7.61478 9.40158 5.79187 5.92575 8.96531 6.85253 11.6421 12.9854 10.4966 7.02475 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 4.87108 5.41453 6.82305 5.61491 7.49471 7.24334 7.64276 5.34096 5.71717 7.19008 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 7.64276 5.41453 5.71717 13.9044 6.55759 12.0545 11.4704 5.42006 10.1427 5.38637 numMergedOcc 0
17 mol 238 unq 3 iso 0 dist 7.64276 5.41453 5.71717 13.3748 7.02475 10.3438 15.4736 12.9854 14.4352 8.96531 numMergedOcc 0
18 mol 238 unq 4 iso 0 dist 7.64276 5.41453 5.71717 5.61491 7.19008 7.24334 4.87108 5.34096 6.82305 7.49471 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 8.57619 9.2885 4.04513 5.4536 8.37865 8.84648 10.367 12.5353 10.282 7.48005 numMergedOcc 0
