0 mol 61 unq 0 iso 0 dist 7.96502 5.50504 6.32949 8.43775 9.72716 11.3084 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 9.16791 8.29727 8.77472 9.91575 8.44753 13.9981 numMergedOcc 0
2 mol 69 unq 1 iso 0 dist 6.57452 8.29727 5.16822 6.39837 7.33546 9.96114 numMergedOcc 0
3 mol 86 unq 0 iso 0 dist 8.45341 5.63037 9.69527 11.4158 7.18799 15.2572 numMergedOcc 0
4 mol 86 unq 1 iso 0 dist 8.45341 5.63037 9.69527 9.68657 8.4254 13.0376 numMergedOcc 0
5 mol 102 unq 0 iso 0 dist 6.7095 8.84131 7.49575 10.2573 6.37194 13.3856 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 6.15949 6.99793 7.65733 8.20626 5.66196 11.941 numMergedOcc 0
7 mol 114 unq 1 iso 0 dist 6.15949 6.71345 5.24877 8.20626 5.66196 5.87387 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 8.20904 8.3127 11.1747 8.39681 9.30597 14.3717 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 6.7402 4.68975 8.08748 4.94726 8.2872 9.54911 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 6.7402 8.84656 8.44345 4.94726 8.2872 11.6481 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 6.7402 4.9155 7.46245 4.94726 8.2872 6.99089 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 6.4413 7.95671 5.34721 8.90222 5.86949 8.62898 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 6.4413 7.95671 5.34721 11.3382 6.72591 11.7814 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 6.62609 8.12659 5.38822 8.93873 5.84971 8.6102 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 6.62609 8.12659 5.38822 11.5334 6.80192 11.9087 numMergedOcc 0
16 mol 187 unq 0 iso 0 dist 9.55621 9.38169 4.98423 5.27509 5.26804 7.68247 numMergedOcc 0
17 mol 189 unq 0 iso 0 dist 8.01521 8.59972 6.36139 10.5365 9.20296 9.58744 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 8.25412 9.66521 5.14019 14.3715 9.09371 13.9885 numMergedOcc 0
19 mol 252 unq 0 iso 0 dist 5.41885 7.91348 5.96471 6.85131 9.31855 11.3438 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 4.49395 6.44657 9.237 12.8183 8.73607 16.4866 numMergedOcc 0
