0 mol 41 unq 0 iso 0 dist 4.29713 10.858 7.20701 7.22338 7.31718 13.9044 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 4.29713 10.858 7.20701 5.36021 5.47447 9.92524 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 6.09085 8.30448 5.16445 11.023 5.64092 7.90609 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 6.09085 8.30448 5.16445 8.24064 8.71074 5.19109 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 9.73435 6.9491 9.09488 15.4242 8.39955 14.4142 numMergedOcc 0
5 mol 113 unq 0 iso 0 dist 5.32773 8.87635 9.73134 3.71942 4.30875 11.6507 numMergedOcc 0
6 mol 113 unq 1 iso 0 dist 5.32773 8.87635 9.73134 9.01611 8.65807 12.9172 numMergedOcc 0
7 mol 154 unq 0 iso 0 dist 8.59532 11.6914 6.3943 11.1637 7.47401 5.96779 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 5.30818 8.96567 9.87619 3.61063 4.11374 11.5877 numMergedOcc 0
9 mol 169 unq 1 iso 0 dist 5.30818 8.96567 9.87619 8.83987 8.37602 12.8345 numMergedOcc 0
10 mol 169 unq 2 iso 0 dist 8.89822 10.7687 9.87619 12.9917 4.11374 11.5877 numMergedOcc 0
11 mol 169 unq 3 iso 0 dist 8.89822 10.7687 9.87619 12.2955 8.37602 12.8345 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 8.95209 15.0955 8.42099 4.59453 9.4366 12.8518 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 6.0751 7.48546 7.29008 5.31235 8.4338 5.83819 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 8.34673 11.0926 7.54341 5.92823 7.72861 11.3236 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 8.34673 11.0926 7.54341 13.0591 8.20376 15.6368 numMergedOcc 0
16 mol 277 unq 0 iso 0 dist 9.22453 13.9612 8.7538 9.7252 5.13533 12.3675 numMergedOcc 0
