0 mol 72 unq 0 iso 0 dist 5.48831 7.95972 7.17489 9.53289 11.5751 6.13507 numMergedOcc 0
1 mol 72 unq 1 iso 0 dist 9.39178 7.95972 12.6531 9.53289 17.267 6.13507 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 9.25901 6.88603 9.06747 4.78804 11.8197 9.43446 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 7.96299 6.88603 9.85676 4.78804 12.6828 9.43446 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 8.86938 6.85365 12.8768 11.2572 18.957 7.12413 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 7.42474 6.85365 6.35364 11.2572 9.67907 7.12413 numMergedOcc 0
6 mol 122 unq 0 iso 0 dist 8.47907 9.55337 5.41882 6.85647 8.33083 8.40483 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.95433 9.59094 4.68409 17.4266 11.5008 8.25207 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 6.44195 5.81632 5.83431 9.98753 10.7167 8.583 numMergedOcc 0
9 mol 154 unq 1 iso 0 dist 7.34207 5.81632 6.53652 9.98753 14.5291 8.583 numMergedOcc 0
10 mol 178 unq 0 iso 0 dist 8.04723 5.85439 5.25267 5.50567 12.1615 8.3134 numMergedOcc 0
11 mol 178 unq 1 iso 0 dist 8.04723 5.85439 5.25267 6.1397 8.0974 5.20764 numMergedOcc 0
12 mol 189 unq 0 iso 0 dist 8.59972 5.79707 5.59904 10.5628 14.3271 9.26506 numMergedOcc 0
13 mol 189 unq 1 iso 0 dist 8.59972 5.79707 5.59904 7.85886 10.9269 7.43025 numMergedOcc 0
14 mol 206 unq 0 iso 0 dist 5.82039 8.65687 4.8585 8.09615 9.72979 8.42763 numMergedOcc 0
15 mol 206 unq 1 iso 0 dist 6.22964 8.65687 5.94313 8.09615 6.97859 8.42763 numMergedOcc 0
16 mol 235 unq 0 iso 0 dist 6.45574 6.43838 10.6981 5.71985 11.5033 7.29546 numMergedOcc 0
17 mol 235 unq 1 iso 0 dist 6.45574 9.24964 9.66021 10.2941 9.94654 8.60471 numMergedOcc 0
18 mol 235 unq 2 iso 0 dist 8.14407 5.71896 9.66021 6.4138 9.94654 8.60471 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 9.07206 5.50677 14.073 13.6469 21.7257 9.67417 numMergedOcc 0
20 mol 274 unq 0 iso 0 dist 9.13226 8.38395 6.68358 14.9773 14.3278 8.33004 numMergedOcc 0
21 mol 274 unq 1 iso 0 dist 9.13226 8.38395 6.68358 13.0361 11.5132 5.42845 numMergedOcc 0
22 mol 274 unq 2 iso 0 dist 9.13226 8.38395 6.68358 9.7346 12.0331 5.62484 numMergedOcc 0
23 mol 294 unq 0 iso 0 dist 7.77765 7.86196 6.17102 14.3918 14.1357 9.20616 numMergedOcc 0
