0 mol 21 unq 0 iso 0 dist 8.7443 9.09983 9.08579 9.9805 8.73484 5.40865 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.06843 12.0732 8.02162 5.85197 6.31089 6.49254 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 8.06843 12.0732 8.02162 7.47027 7.07502 9.65277 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 8.06843 12.0732 8.02162 5.11301 8.48468 10.9474 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 6.58179 7.01781 8.0388 5.85221 8.45058 5.41761 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 8.06894 10.2511 9.07614 5.60142 4.92457 5.44629 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 8.06894 10.2511 9.07614 8.84114 8.18666 9.11393 numMergedOcc 0
7 mol 63 unq 2 iso 0 dist 8.06894 8.58152 9.21258 8.84114 8.18666 10.57 numMergedOcc 0
8 mol 63 unq 3 iso 0 dist 8.06894 8.58152 9.21258 5.60142 4.92457 10.9414 numMergedOcc 0
9 mol 63 unq 4 iso 0 dist 5.89846 9.80559 9.07614 4.84866 4.92457 5.44629 numMergedOcc 0
10 mol 63 unq 5 iso 0 dist 5.89846 9.80559 9.07614 4.82167 8.18666 9.11393 numMergedOcc 0
11 mol 63 unq 6 iso 0 dist 5.89846 6.8609 9.21258 4.82167 8.18666 10.57 numMergedOcc 0
12 mol 63 unq 7 iso 0 dist 5.89846 6.8609 9.21258 4.84866 4.92457 10.9414 numMergedOcc 0
13 mol 111 unq 0 iso 0 dist 8.51084 5.25493 8.48433 8.169 4.72339 7.50613 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 8.14978 13.0903 9.80185 5.44816 8.88454 12.6656 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 8.14978 13.0903 9.80185 9.06521 9.48581 14.7644 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.78251 12.2153 7.005 17.0767 8.46395 8.99916 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.78251 12.2153 7.005 7.15761 6.08596 5.77691 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 4.42095 13.9253 9.60788 5.5201 5.78717 12.5181 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 4.63898 10.4232 9.60788 4.41506 5.78717 12.5181 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 9.53641 14.7844 9.60788 14.6908 5.78717 12.5181 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 7.12149 5.93615 9.35071 5.33482 5.63025 9.7405 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 5.2116 6.46939 6.71152 9.34602 8.38453 11.2901 numMergedOcc 0
23 mol 255 unq 0 iso 0 dist 8.66655 4.80227 8.32084 5.94208 7.73503 5.89841 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 9.15937 5.49483 7.89784 6.13368 8.42359 9.18401 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 9.15937 9.80915 7.83983 6.13368 8.42359 7.03162 numMergedOcc 0
