0 mol 15 unq 0 iso 0 dist 4.27439 4.89563 5.63041 7.38118 5.68079 8.4014 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 9.83301 9.82536 14.514 9.67906 7.53194 17.0702 numMergedOcc 0
2 mol 42 unq 1 iso 0 dist 9.83301 8.77998 11.4032 9.67906 7.53194 15.8228 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.68303 9.74289 13.0823 3.97203 5.26566 13.5465 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 5.68303 9.74289 13.0823 3.90966 6.27118 11.8668 numMergedOcc 0
5 mol 90 unq 0 iso 0 dist 8.60438 8.14057 9.18603 4.3421 8.63446 11.3564 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 9.83241 9.54663 4.80675 9.45041 4.4077 7.97548 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 9.83241 9.54663 4.80675 5.50122 8.4874 9.64164 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 7.88346 9.03233 14.8495 6.03327 5.33772 14.0526 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.17789 5.47189 12.5982 16.123 8.99777 21.5354 numMergedOcc 0
10 mol 258 unq 0 iso 0 dist 9.27225 8.14812 4.6881 6.55101 5.94328 8.03012 numMergedOcc 0
11 mol 266 unq 0 iso 0 dist 5.59641 8.82941 5.98169 8.51059 7.36137 12.0003 numMergedOcc 0
12 mol 266 unq 1 iso 0 dist 5.59641 8.82941 5.98169 7.79913 4.95415 9.29666 numMergedOcc 0
13 mol 277 unq 0 iso 0 dist 6.92271 6.86014 5.77904 9.69757 4.1545 4.9764 numMergedOcc 0
14 mol 277 unq 1 iso 0 dist 6.92271 6.86014 5.77904 10.2113 4.25172 6.36559 numMergedOcc 0
15 mol 277 unq 2 iso 0 dist 8.62666 5.97073 5.77904 7.55695 4.1545 4.9764 numMergedOcc 0
16 mol 277 unq 3 iso 0 dist 8.62666 5.97073 5.77904 6.26644 4.25172 6.36559 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 8.92737 6.45955 6.99988 8.3297 7.94656 8.88595 numMergedOcc 0
18 mol 294 unq 1 iso 0 dist 8.92737 8.86937 11.8346 8.3297 7.94656 12.2136 numMergedOcc 0
19 mol 294 unq 2 iso 0 dist 7.15278 5.71661 6.99988 4.63586 7.94656 8.88595 numMergedOcc 0
20 mol 294 unq 3 iso 0 dist 7.15278 8.98536 11.8346 4.63586 7.94656 12.2136 numMergedOcc 0
