0 mol 45 unq 0 iso 0 dist 9.73896 5.84852 6.43774 6.96797 5.24762 7.2846 11.1814 6.06454 5.73693 9.44459 numMergedOcc 0
1 mol 45 unq 1 iso 0 dist 6.96797 5.84852 7.2846 9.73896 5.24762 6.43774 11.1814 9.44459 5.73693 6.06454 numMergedOcc 0
2 mol 100 unq 0 iso 0 dist 7.02792 6.20162 6.56369 9.16549 12.6515 7.47343 14.4217 20.2183 14.9392 9.00544 numMergedOcc 0
3 mol 100 unq 1 iso 0 dist 7.02792 6.20162 6.56369 9.16549 12.6515 7.47343 16.0753 18.4011 12.6602 7.12017 numMergedOcc 0
4 mol 131 unq 0 iso 0 dist 7.49404 7.91807 8.40312 10.6353 5.55373 7.12972 10.7835 8.86329 5.89022 8.71039 numMergedOcc 0
5 mol 131 unq 1 iso 0 dist 7.49404 7.91807 8.40312 10.6353 5.55373 7.12972 15.9139 11.4206 9.32969 6.92648 numMergedOcc 0
6 mol 131 unq 2 iso 0 dist 7.49404 7.91807 8.40312 11.6897 10.7062 6.85062 15.9139 11.4206 9.32969 9.29384 numMergedOcc 0
7 mol 131 unq 3 iso 0 dist 6.44766 7.69184 6.85062 14.5984 10.7062 8.40312 13.2288 11.6142 5.89022 8.86329 numMergedOcc 0
8 mol 131 unq 4 iso 0 dist 6.44766 7.69184 6.85062 12.0425 6.63273 7.12972 13.2288 11.6142 5.89022 8.71039 numMergedOcc 0
9 mol 131 unq 5 iso 0 dist 6.44766 7.69184 6.85062 12.0425 6.63273 7.12972 13.6401 9.29384 9.32969 6.92648 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.31743 10.2414 9.89303 8.5778 5.79898 6.54501 7.63514 10.0513 5.35679 5.53031 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.5778 13.5276 6.49416 14.8658 8.80819 8.94367 20.124 13.846 9.4027 8.20836 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 5.47189 5.48717 7.54065 10.1325 5.74635 8.87694 9.40342 7.20574 8.90184 6.85302 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 5.47189 5.48717 7.54065 10.1325 5.74635 8.87694 15.8167 13.6209 12.8303 9.98215 numMergedOcc 0
14 mol 186 unq 2 iso 0 dist 8.58465 5.22923 8.87694 13.2127 9.50685 9.09754 15.1643 15.9107 9.97575 8.64409 numMergedOcc 0
15 mol 229 unq 0 iso 0 dist 7.81415 5.6419 9.06952 9.68636 6.84129 7.03423 7.82856 9.45972 9.62106 8.92743 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 8.58958 14.7629 6.56247 7.17987 5.88703 9.45496 14.2602 8.24186 5.63086 7.5366 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 8.58958 13.5847 9.36357 7.17987 5.88703 6.7625 14.2602 8.24186 5.6819 7.5366 numMergedOcc 0
18 mol 234 unq 2 iso 0 dist 9.70004 14.3229 6.56247 13.9487 5.88703 9.45496 17.7658 8.24186 5.63086 7.5366 numMergedOcc 0
19 mol 234 unq 3 iso 0 dist 9.70004 17.5883 9.36357 13.9487 5.88703 6.7625 17.7658 8.24186 5.6819 7.5366 numMergedOcc 0
20 mol 234 unq 4 iso 0 dist 7.17987 14.7629 9.45496 8.58958 5.88703 6.56247 14.2602 7.5366 5.63086 8.24186 numMergedOcc 0
21 mol 234 unq 5 iso 0 dist 7.17987 13.5847 6.7625 8.58958 5.88703 9.36357 14.2602 7.5366 5.6819 8.24186 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 6.0087 11.2678 8.03456 12.1533 7.28249 9.81562 15.8552 11.9847 7.22918 8.50331 numMergedOcc 0
23 mol 236 unq 1 iso 0 dist 6.0087 12.338 6.84306 12.1533 7.28249 7.68742 15.8552 11.9847 9.05842 8.50331 numMergedOcc 0
24 mol 236 unq 2 iso 0 dist 6.0087 12.431 9.99038 12.1533 7.28249 6.27581 15.8552 11.9847 7.00028 8.50331 numMergedOcc 0
25 mol 258 unq 0 iso 0 dist 9.80417 10.759 6.60405 15.1916 7.26417 6.42289 9.31209 6.70815 7.42673 7.99477 numMergedOcc 0
26 mol 258 unq 1 iso 0 dist 9.80417 10.759 6.60405 15.1916 7.26417 6.42289 13.6224 11.184 6.44209 7.86627 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 8.70852 5.07898 7.84554 9.89728 7.64658 7.46176 9.80192 12.4037 5.60748 8.55558 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 6.42437 5.07898 9.18903 9.89728 10.5239 7.46176 9.80192 14.4498 5.60748 8.55558 numMergedOcc 0
