0 mol 12 unq 0 iso 0 dist 8.8993 5.44478 8.27891 9.41745 6.7002 6.9065 7.4036 10.5333 4.40652 10.9547 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 9.54644 4.10339 13.1554 7.34019 6.26111 9.45335 7.11464 10.4791 6.94144 6.11846 numMergedOcc 0
2 mol 36 unq 1 iso 0 dist 9.54644 4.10339 13.1554 8.43828 14.9059 5.98566 7.11464 10.4791 6.94144 7.3917 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 8.22841 5.97418 9.39417 8.60577 6.59479 6.44323 5.39827 5.3464 9.89377 9.23414 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 5.74014 5.97418 5.30715 8.60577 4.91166 6.44323 5.39827 6.19026 9.89377 9.23414 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 7.3098 9.52282 7.87498 5.09688 5.06206 6.89762 8.22984 6.8344 10.0156 9.75737 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 9.66944 5.72494 4.37349 5.94478 9.57454 6.07628 9.61913 4.01954 6.12629 9.91049 numMergedOcc 0
7 mol 103 unq 1 iso 0 dist 9.66944 8.70106 9.29681 5.94478 9.57454 10.2138 9.61913 4.01954 12.2951 9.91049 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 9.06392 4.81596 11.9038 8.38646 16.5045 6.06241 8.6317 11.2575 6.22139 9.20086 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 9.44978 9.67207 12.9784 9.05666 4.94984 15.8138 7.27051 13.0014 13.2917 12.717 numMergedOcc 0
10 mol 192 unq 1 iso 0 dist 9.44978 9.67207 12.9784 9.05666 4.94984 15.8138 7.35424 14.1703 10.3343 14.8459 numMergedOcc 0
11 mol 261 unq 0 iso 0 dist 8.40312 9.0643 8.71174 7.26647 12.6092 6.80146 5.83338 6.73868 6.78245 7.86966 numMergedOcc 0
12 mol 261 unq 1 iso 0 dist 8.40312 9.0643 8.71174 7.7309 13.0522 9.00992 5.83338 6.73868 6.78245 6.65675 numMergedOcc 0
13 mol 261 unq 2 iso 0 dist 8.40312 7.4202 5.96556 7.26647 12.6092 12.9384 5.83338 6.73868 5.85813 7.86966 numMergedOcc 0
14 mol 261 unq 3 iso 0 dist 8.40312 7.4202 5.96556 7.7309 13.0522 11.479 5.83338 6.73868 5.85813 6.65675 numMergedOcc 0
15 mol 282 unq 0 iso 0 dist 8.07221 7.28238 7.88907 7.70229 12.878 6.17747 5.94224 6.55115 5.64774 8.2662 numMergedOcc 0
16 mol 282 unq 1 iso 0 dist 8.07221 7.28238 7.88907 7.90792 12.8251 7.94567 5.94224 6.55115 5.64774 6.6348 numMergedOcc 0
17 mol 282 unq 2 iso 0 dist 8.07221 7.3389 5.6541 7.70229 12.878 13.1327 5.94224 6.55115 5.61995 8.2662 numMergedOcc 0
18 mol 282 unq 3 iso 0 dist 8.07221 7.3389 5.6541 7.90792 12.8251 11.2762 5.94224 6.55115 5.61995 6.6348 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 6.81636 4.66252 4.76371 9.22576 9.91979 11.3048 9.52718 13.0927 13.0167 4.9628 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 6.81636 4.66252 4.76371 9.22576 9.91979 11.3048 9.52718 13.0927 13.0167 4.9628 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 6.81636 4.66252 4.76371 9.22576 9.91979 11.3048 9.52718 13.0927 13.0167 4.9628 numMergedOcc 0
