0 mol 7 unq 0 iso 0 dist 6.22892 12.1855 9.87885 12.0214 10.2446 8.15894 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.22892 12.1855 9.87885 11.7931 12.3097 8.45544 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.47321 6.24734 5.8245 12.2499 3.98483 7.05919 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 5.87895 7.79018 7.27472 14.1746 10.0655 7.96195 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.87176 8.41932 7.39665 13.3877 15.0902 8.05514 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 7.45675 11.3486 6.17207 16.4631 9.32986 9.45329 numMergedOcc 0
6 mol 68 unq 2 iso 0 dist 5.57389 8.95801 7.39665 16.1186 15.0902 8.05514 numMergedOcc 0
7 mol 88 unq 0 iso 0 dist 9.25163 3.42334 7.51139 12.1153 9.14315 8.72458 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 9.40559 12.698 9.3948 18.4989 14.484 7.27506 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 8.35164 6.13615 9.02706 10.7806 10.1567 4.99604 numMergedOcc 0
10 mol 112 unq 1 iso 0 dist 9.43616 6.13615 8.47988 10.7806 8.56707 4.99604 numMergedOcc 0
11 mol 114 unq 0 iso 0 dist 5.97879 5.33859 5.7144 10.6323 5.6074 7.59156 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 7.44784 6.3642 6.04595 8.99731 5.61704 8.4965 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 5.30872 5.88056 5.37047 12.697 9.23795 8.612 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 7.5984 7.11802 5.40637 9.79469 10.8441 8.68663 numMergedOcc 0
15 mol 152 unq 0 iso 0 dist 6.98781 6.78963 6.41689 9.57151 5.81236 6.09987 numMergedOcc 0
16 mol 152 unq 1 iso 0 dist 6.98781 6.78963 6.41689 13.2839 9.22869 6.92726 numMergedOcc 0
17 mol 154 unq 0 iso 0 dist 9.04554 5.93188 8.33439 6.31314 6.55507 9.82982 numMergedOcc 0
18 mol 170 unq 0 iso 0 dist 7.15418 10.4801 9.08274 9.91057 5.95519 5.13268 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 7.27481 12.9462 6.74196 9.04499 6.42798 7.97027 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 7.27481 9.50604 8.36842 9.04499 6.42798 4.9876 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 9.67966 5.07724 5.64285 12.517 5.52595 9.08151 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.27989 3.28983 6.73665 10.2997 13.1624 8.88763 numMergedOcc 0
23 mol 239 unq 1 iso 0 dist 9.27989 3.28983 6.73665 8.83751 7.34872 6.43209 numMergedOcc 0
24 mol 239 unq 2 iso 0 dist 9.27989 3.28983 6.73665 8.77688 8.9361 8.48769 numMergedOcc 0
25 mol 264 unq 0 iso 0 dist 6.80096 8.11813 9.58916 10.2338 10.1591 7.14086 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 6.47376 4.91802 6.35028 7.5355 6.15987 5.81528 numMergedOcc 0
27 mol 279 unq 1 iso 0 dist 9.6147 9.35656 6.35028 7.88343 6.15987 5.81528 numMergedOcc 0
