0 mol 33 unq 0 iso 0 dist 5.32407 8.16593 5.5138 9.67585 9.3686 12.4743 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 6.53102 8.16593 9.29927 9.67585 8.49894 12.4743 numMergedOcc 0
2 mol 33 unq 2 iso 0 dist 7.76575 8.16593 8.71323 9.67585 5.75951 12.4743 numMergedOcc 0
3 mol 33 unq 3 iso 0 dist 9.74394 8.16593 10.1727 9.67585 3.82391 12.4743 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 9.12062 4.97286 5.70643 5.39587 13.3334 9.9482 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 9.12062 4.97286 5.70643 6.47252 8.73415 3.92518 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 4.45006 7.55854 4.1947 7.49235 3.91263 4.85981 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 4.45006 7.55854 4.1947 7.19431 5.59024 4.03764 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 8.49649 8.11189 9.69206 7.96353 11.0328 6.98491 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 8.11268 8.77324 14.4961 9.70796 14.9735 6.49048 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 6.22466 5.82681 7.99002 8.9388 3.6848 11.3012 numMergedOcc 0
11 mol 229 unq 0 iso 0 dist 4.38586 7.06416 3.99138 5.96615 3.72432 5.66048 numMergedOcc 0
12 mol 233 unq 0 iso 0 dist 8.36772 9.85333 6.66728 9.00218 6.88396 11.4762 numMergedOcc 0
13 mol 233 unq 1 iso 0 dist 8.36772 9.85333 6.66728 6.0751 6.41724 7.87864 numMergedOcc 0
14 mol 233 unq 2 iso 0 dist 8.83541 9.85333 15.4234 9.00218 8.71119 11.4762 numMergedOcc 0
15 mol 233 unq 3 iso 0 dist 8.83541 9.85333 15.4234 6.0751 10.8172 7.87864 numMergedOcc 0
16 mol 233 unq 4 iso 0 dist 7.55878 9.85333 11.8011 9.00218 3.66075 11.4762 numMergedOcc 0
17 mol 233 unq 5 iso 0 dist 7.55878 9.85333 11.8011 6.0751 3.98113 7.87864 numMergedOcc 0
18 mol 233 unq 6 iso 0 dist 4.91191 8.08374 5.89828 7.69531 3.66075 8.24087 numMergedOcc 0
19 mol 233 unq 7 iso 0 dist 4.91191 8.2689 8.98176 7.69531 3.66075 8.43684 numMergedOcc 0
20 mol 234 unq 0 iso 0 dist 5.65943 6.99317 4.99837 8.56943 4.86668 9.82337 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 9.27632 5.27218 4.95839 6.95744 5.59638 4.08014 numMergedOcc 0
22 mol 240 unq 0 iso 0 dist 8.96064 5.84605 3.96088 7.78879 6.19079 5.34658 numMergedOcc 0
23 mol 260 unq 0 iso 0 dist 7.46 8.88803 9.87568 6.79386 9.22751 7.02274 numMergedOcc 0
24 mol 260 unq 1 iso 0 dist 7.46 8.88803 9.87568 6.19564 6.73886 4.58993 numMergedOcc 0
25 mol 260 unq 2 iso 0 dist 6.71406 8.88803 9.94594 6.79386 5.47193 7.02274 numMergedOcc 0
26 mol 260 unq 3 iso 0 dist 6.71406 8.88803 9.94594 6.19564 5.38205 4.58993 numMergedOcc 0
