0 mol 43 unq 0 iso 0 dist 8.60396 8.99509 14.9742 4.44406 6.90686 8.42544 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.60396 8.47617 12.7554 4.44406 6.90686 6.09486 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.60396 5.73331 9.56289 4.44406 6.90686 4.40385 numMergedOcc 0
3 mol 43 unq 3 iso 0 dist 8.60396 8.48694 6.44102 4.44406 6.90686 6.2847 numMergedOcc 0
4 mol 108 unq 0 iso 0 dist 8.69068 5.45787 4.93762 8.07863 8.4314 6.98264 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 8.94096 7.84864 6.68335 8.96089 8.89288 9.48616 numMergedOcc 0
6 mol 132 unq 1 iso 0 dist 7.64207 7.84864 9.11596 8.96089 7.77683 9.48616 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 8.30966 9.37459 14.6591 4.58432 6.73318 8.18329 numMergedOcc 0
8 mol 152 unq 1 iso 0 dist 8.30966 9.0847 12.2051 4.58432 6.73318 5.97115 numMergedOcc 0
9 mol 152 unq 2 iso 0 dist 8.30966 6.00061 9.67332 4.58432 6.73318 4.36394 numMergedOcc 0
10 mol 152 unq 3 iso 0 dist 8.30966 8.33302 6.18791 4.58432 6.73318 5.96803 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 7.76856 9.09857 10.6484 5.89342 11.7926 6.06124 numMergedOcc 0
12 mol 196 unq 0 iso 0 dist 5.76319 7.84536 4.57882 8.76389 5.10114 9.04037 numMergedOcc 0
13 mol 196 unq 1 iso 0 dist 5.30132 7.07723 4.57882 6.78722 5.10114 9.04037 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 8.61953 9.14737 10.5326 8.56661 5.52807 14.465 numMergedOcc 0
15 mol 197 unq 1 iso 0 dist 8.61953 9.14737 10.5326 6.20676 4.20442 10.8461 numMergedOcc 0
16 mol 197 unq 2 iso 0 dist 8.61953 9.14737 10.5326 7.36576 6.84976 4.91336 numMergedOcc 0
17 mol 197 unq 3 iso 0 dist 7.91999 9.14737 5.29309 8.56661 10.0758 14.465 numMergedOcc 0
18 mol 197 unq 4 iso 0 dist 7.91999 9.14737 5.29309 6.20676 6.9944 10.8461 numMergedOcc 0
19 mol 197 unq 5 iso 0 dist 7.91999 9.14737 5.29309 7.36576 3.44524 4.91336 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.93002 5.29682 6.64729 8.42773 6.95971 4.51538 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 8.93002 6.20344 9.79538 8.42773 6.95971 9.08426 numMergedOcc 0
22 mol 265 unq 0 iso 0 dist 9.83854 7.45719 5.58514 9.59851 3.56519 6.09499 numMergedOcc 0
23 mol 270 unq 0 iso 0 dist 6.55866 7.05331 5.00269 9.6554 6.1174 6.83628 numMergedOcc 0
