0 mol 30 unq 0 iso 0 dist 5.16345 5.77009 5.19692 13.5935 10.0649 8.58568 numMergedOcc 0
1 mol 42 unq 0 iso 0 dist 7.81641 7.15313 8.04465 9.88198 5.06225 6.25866 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 9.53901 15.0516 8.6578 18.4166 11.6488 9.17518 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 9.53901 15.0516 8.6578 21.3575 15.1165 8.21833 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.94756 8.88698 5.01022 14.4515 8.89087 8.94097 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 8.06263 4.28426 8.8466 10.4791 7.25049 8.80104 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 9.74966 12.127 5.29515 17.56 8.95758 8.12589 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 9.87914 12.1375 5.16917 17.6826 8.91883 8.11592 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 8.98636 17.4843 8.60938 18.5591 10.6432 6.87906 numMergedOcc 0
9 mol 156 unq 1 iso 0 dist 8.98636 17.4843 8.60938 21.8719 14.2309 7.94975 numMergedOcc 0
10 mol 156 unq 2 iso 0 dist 8.98636 17.4843 8.60938 11.809 7.03382 9.39865 numMergedOcc 0
11 mol 156 unq 3 iso 0 dist 8.98636 17.4843 8.60938 19.5527 11.5497 8.49473 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 9.17063 7.90631 5.65801 13.9484 5.56282 7.79505 numMergedOcc 0
13 mol 173 unq 1 iso 0 dist 9.99332 7.90631 8.58733 13.9484 7.17381 7.79505 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 5.69866 10.735 9.13708 18.6273 18.6899 9.77862 numMergedOcc 0
15 mol 210 unq 0 iso 0 dist 9.26518 5.20757 8.53457 5.57537 12.7024 6.4829 numMergedOcc 0
16 mol 248 unq 0 iso 0 dist 7.83878 10.4208 7.21518 17.4352 11.2533 8.42446 numMergedOcc 0
17 mol 255 unq 0 iso 0 dist 9.51384 5.94053 6.86437 12.2712 7.21754 6.6475 numMergedOcc 0
