0 mol 12 unq 0 iso 0 dist 5.44478 9.41745 6.9065 7.4036 4.40652 10.9547 11.6972 10.6393 17.5245 6.96422 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 5.97418 8.60577 6.44323 5.39827 9.89377 9.23414 6.35361 9.46217 12.7769 7.46994 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 8.22984 10.0156 9.75737 12.1174 12.0659 14.448 7.09065 numMergedOcc 0
3 mol 189 unq 0 iso 0 dist 8.81184 9.58744 13.1061 7.45329 6.41248 10.1941 5.79318 7.65477 14.8522 9.33695 numMergedOcc 0
4 mol 189 unq 1 iso 0 dist 8.81184 9.58744 13.1061 7.45329 6.41248 10.1941 4.88868 8.2926 13.0754 6.31466 numMergedOcc 0
5 mol 189 unq 2 iso 0 dist 9.71306 9.58744 11.7613 7.45329 10.6364 10.1941 5.79318 13.8432 14.8522 9.33695 numMergedOcc 0
6 mol 189 unq 3 iso 0 dist 9.71306 9.58744 11.7613 7.45329 10.6364 10.1941 4.88868 9.69971 13.0754 6.31466 numMergedOcc 0
7 mol 189 unq 4 iso 0 dist 9.20296 9.58744 6.36139 7.45329 12.7664 10.1941 5.79318 14.9509 14.8522 9.33695 numMergedOcc 0
8 mol 189 unq 5 iso 0 dist 9.20296 9.58744 6.36139 7.45329 12.7664 10.1941 4.88868 12.8885 13.0754 6.31466 numMergedOcc 0
9 mol 227 unq 0 iso 0 dist 9.09371 9.93154 5.71921 9.84311 13.3228 10.7656 13.1968 16.9053 12.4085 7.57454 numMergedOcc 0
10 mol 227 unq 1 iso 0 dist 9.09371 9.93154 5.71921 8.85568 6.10844 10.3825 5.31715 11.7694 14.4583 9.28891 numMergedOcc 0
11 mol 227 unq 2 iso 0 dist 9.09371 9.18218 9.08864 9.84311 13.3228 5.10635 13.1968 16.9053 11.004 7.57454 numMergedOcc 0
12 mol 227 unq 3 iso 0 dist 9.09371 9.18218 9.08864 8.85568 6.10844 8.86483 5.31715 11.7694 12.9801 9.28891 numMergedOcc 0
13 mol 227 unq 4 iso 0 dist 9.09371 6.18486 8.98613 9.84311 13.3228 6.48027 13.1968 16.9053 12.8864 7.57454 numMergedOcc 0
14 mol 227 unq 5 iso 0 dist 9.09371 6.18486 8.98613 8.85568 6.10844 6.67321 5.31715 11.7694 8.83563 9.28891 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 8.27377 7.0247 12.8819 8.70383 10.9823 5.78064 3.494 11.3493 7.19465 9.58354 numMergedOcc 0
16 mol 282 unq 0 iso 0 dist 7.28238 7.70229 6.17747 5.94224 5.64774 8.2662 6.63358 11.4162 10.4802 6.8972 numMergedOcc 0
17 mol 282 unq 1 iso 0 dist 7.28238 7.90792 7.94567 5.94224 5.64774 6.6348 6.63358 11.4162 7.32347 6.8972 numMergedOcc 0
18 mol 282 unq 2 iso 0 dist 7.3389 7.70229 13.1327 5.94224 5.61995 8.2662 6.63358 7.10557 10.4802 6.8972 numMergedOcc 0
19 mol 282 unq 3 iso 0 dist 7.3389 7.90792 11.2762 5.94224 5.61995 6.6348 6.63358 7.10557 7.32347 6.8972 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 4.66252 9.22576 11.3048 9.52718 13.0167 4.9628 9.81184 14.3165 9.85934 5.59555 numMergedOcc 0
21 mol 288 unq 0 iso 0 dist 4.66252 9.22576 11.3048 9.52718 13.0167 4.9628 9.81184 14.3165 9.85934 5.59555 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 4.66252 9.22576 11.3048 9.52718 13.0167 4.9628 9.81184 14.3165 9.85934 5.59555 numMergedOcc 0
