0 mol 12 unq 0 iso 0 dist 8.42244 7.12948 8.98903 10.2763 7.3538 12.4593 numMergedOcc 0
1 mol 18 unq 0 iso 0 dist 9.92632 5.97199 9.8759 8.65495 9.94034 11.645 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 9.49371 5.667 10.7901 11.3498 9.26231 15.5957 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 7.40481 7.00373 10.5767 11.3093 6.62952 16.1506 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 7.40481 7.00373 10.5767 6.41542 4.3521 12.1696 numMergedOcc 0
5 mol 99 unq 0 iso 0 dist 7.55765 9.43616 9.88225 5.91888 4.82346 10.5518 numMergedOcc 0
6 mol 99 unq 1 iso 0 dist 7.55765 9.43616 9.88225 10.0064 8.07233 11.5134 numMergedOcc 0
7 mol 99 unq 2 iso 0 dist 7.55765 8.43048 11.6395 5.91888 4.82346 12.4658 numMergedOcc 0
8 mol 99 unq 3 iso 0 dist 7.55765 8.43048 11.6395 10.0064 8.07233 15.1791 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 8.70947 8.18846 9.9444 8.24111 9.60223 13.9862 numMergedOcc 0
10 mol 101 unq 1 iso 0 dist 8.70947 8.18846 9.9444 5.23253 7.11476 12.0679 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 5.30577 6.60484 4.27067 10.6016 9.96269 6.13301 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 9.0655 7.81733 4.47584 4.42019 8.8894 8.67028 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 6.22734 9.47487 10.8745 4.77702 7.69352 13.6125 numMergedOcc 0
14 mol 225 unq 0 iso 0 dist 8.621 9.16822 5.21366 13.2093 7.0412 12.1136 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 8.87704 9.73021 4.81796 4.828 7.80073 9.10967 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 9.11375 8.47364 4.81796 16.0386 7.80073 9.10967 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 6.77411 9.8043 15.4195 6.0421 7.2154 14.5934 numMergedOcc 0
18 mol 272 unq 0 iso 0 dist 8.38819 6.76991 4.60751 8.75845 5.34803 6.87981 numMergedOcc 0
