0 mol 33 unq 0 iso 0 dist 5.65377 7.15141 6.08005 7.77567 5.63669 4.13966 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 5.85008 8.05598 6.26111 7.38433 7.28636 6.97061 numMergedOcc 0
2 mol 36 unq 1 iso 0 dist 9.54644 7.34019 6.26111 9.0321 15.003 10.1196 numMergedOcc 0
3 mol 36 unq 2 iso 0 dist 9.54644 7.34019 6.26111 8.88147 7.28636 6.97061 numMergedOcc 0
4 mol 36 unq 3 iso 0 dist 9.54644 8.43828 14.9059 9.0321 15.003 5.81516 numMergedOcc 0
5 mol 36 unq 4 iso 0 dist 9.54644 8.43828 14.9059 8.88147 7.28636 12.6598 numMergedOcc 0
6 mol 44 unq 0 iso 0 dist 7.89712 8.59022 10.857 7.89468 14.4731 7.07345 numMergedOcc 0
7 mol 44 unq 1 iso 0 dist 7.89712 8.59022 10.857 8.13585 6.7264 7.57101 numMergedOcc 0
8 mol 44 unq 2 iso 0 dist 7.89712 8.59022 10.857 8.44721 3.52732 11.6099 numMergedOcc 0
9 mol 44 unq 3 iso 0 dist 6.96052 8.54284 10.857 9.84064 6.7264 7.57101 numMergedOcc 0
10 mol 44 unq 4 iso 0 dist 6.96052 8.54284 10.857 5.31062 3.52732 11.6099 numMergedOcc 0
11 mol 69 unq 0 iso 0 dist 8.61203 6.27528 6.77896 7.91401 12.7497 6.14227 numMergedOcc 0
12 mol 69 unq 1 iso 0 dist 8.61203 6.27528 6.77896 8.68643 14.4691 9.0801 numMergedOcc 0
13 mol 78 unq 0 iso 0 dist 9.32172 7.80757 9.0996 6.88471 3.84261 5.40759 numMergedOcc 0
14 mol 78 unq 1 iso 0 dist 9.32172 5.5849 6.50212 6.88471 3.84261 5.08718 numMergedOcc 0
15 mol 78 unq 2 iso 0 dist 8.93486 8.75605 6.50212 8.19547 3.84261 5.08718 numMergedOcc 0
16 mol 91 unq 0 iso 0 dist 9.23907 7.28711 5.27581 5.21227 6.21391 6.76794 numMergedOcc 0
17 mol 100 unq 0 iso 0 dist 9.90038 9.91446 11.7157 9.74416 9.05059 3.94305 numMergedOcc 0
18 mol 100 unq 1 iso 0 dist 9.90038 9.26343 5.06206 9.74416 9.05059 12.3721 numMergedOcc 0
19 mol 192 unq 0 iso 0 dist 9.44978 9.05666 4.94984 6.08455 7.9666 10.375 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 9.66622 6.64506 9.06228 6.64996 3.39871 7.02499 numMergedOcc 0
21 mol 196 unq 1 iso 0 dist 7.21836 6.60651 12.7415 8.94535 9.74325 10.8619 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 6.4889 9.78185 9.42665 6.35781 3.63907 6.56535 numMergedOcc 0
23 mol 252 unq 1 iso 0 dist 6.4889 9.78185 9.42665 8.06117 5.6592 4.51829 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 9.24924 7.92491 7.62155 5.34771 8.40497 6.79513 numMergedOcc 0
25 mol 283 unq 1 iso 0 dist 9.24924 7.92491 7.62155 9.2825 8.03948 11.9095 numMergedOcc 0
