0 mol 6 unq 0 iso 0 dist 9.53484 11.6399 8.15992 6.50793 9.07564 14.4522 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 9.53484 9.98638 4.82562 6.50793 9.07564 7.33688 numMergedOcc 0
2 mol 6 unq 2 iso 0 dist 9.53484 11.2328 8.85796 6.50793 9.07564 13.7747 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 9.2795 5.05514 8.70331 4.36156 8.78511 4.87576 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 9.06004 6.53932 7.89306 9.8286 4.64187 6.23577 numMergedOcc 0
5 mol 33 unq 1 iso 0 dist 9.34266 6.53932 8.36697 9.8286 7.95437 6.23577 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 7.18148 9.69903 6.81735 14.1483 9.41463 5.17091 numMergedOcc 0
7 mol 83 unq 0 iso 0 dist 6.72584 13.468 7.69755 9.40112 5.35861 4.93836 numMergedOcc 0
8 mol 83 unq 1 iso 0 dist 6.72584 16.1682 9.64197 9.40112 5.35861 8.82563 numMergedOcc 0
9 mol 91 unq 0 iso 0 dist 8.66819 10.9008 8.91998 5.92311 7.71625 5.09341 numMergedOcc 0
10 mol 91 unq 1 iso 0 dist 8.47126 14.1047 8.91998 10.4112 7.71625 5.09341 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 7.87345 7.0497 9.64908 3.50778 5.92828 6.13615 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 7.87345 7.0497 9.64908 9.07396 9.1247 4.49971 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 7.99127 4.42628 9.99012 9.42107 6.60366 12.1494 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 7.99127 12.8171 5.33772 9.42107 6.60366 7.11802 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 9.06347 15.873 7.56217 13.4593 4.45769 5.39223 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 9.06347 15.873 7.56217 16.6224 8.99961 7.15294 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 7.00278 9.42629 8.77524 6.59905 7.33774 5.9943 numMergedOcc 0
18 mol 253 unq 0 iso 0 dist 9.2549 9.59381 9.80396 5.41773 9.454 12.9816 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.26365 8.54175 9.25289 10.2114 9.21469 14.8716 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 8.26365 15.8541 9.29687 10.2114 9.21469 14.3247 numMergedOcc 0
