0 mol 26 unq 0 iso 0 dist 6.73162 8.44506 8.13684 10.9837 12.2621 9.5053 7.11305 9.96121 6.38243 4.76998 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 6.46761 7.27383 9.17656 5.85698 9.11258 6.62229 4.00553 10.1478 6.87028 5.45005 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.58407 7.27383 10.8775 5.85698 12.7653 6.62229 4.00553 10.7327 6.87028 5.45005 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 9.63176 7.77116 8.96522 7.20179 11.8717 8.8562 6.9194 6.55202 9.6121 12.8661 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 9.63176 7.77116 8.96522 7.20179 11.8717 8.8562 9.68677 9.08536 9.57341 5.37917 numMergedOcc 0
5 mol 119 unq 2 iso 0 dist 9.63176 7.77116 8.96522 9.89358 15.8603 7.91683 6.9194 6.55202 9.6121 13.3563 numMergedOcc 0
6 mol 119 unq 3 iso 0 dist 9.63176 7.77116 8.96522 9.89358 15.8603 7.91683 9.68677 9.08536 9.57341 15.7711 numMergedOcc 0
7 mol 126 unq 0 iso 0 dist 7.75534 9.46588 5.83002 6.0268 7.36017 5.94233 10.7549 9.93613 8.66815 5.50104 numMergedOcc 0
8 mol 126 unq 1 iso 0 dist 7.75534 9.46588 5.83002 8.01268 5.14819 8.56219 10.7549 9.93613 8.66815 7.02562 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.6243 6.92648 6.01893 7.92788 10.7802 5.44303 8.57203 12.3382 6.78801 6.11089 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 8.6243 6.92648 6.01893 8.23791 11.4282 8.50562 8.57203 12.3382 6.78801 10.9311 numMergedOcc 0
11 mol 131 unq 2 iso 0 dist 6.91348 9.29384 6.01893 13.1439 10.7802 5.44303 12.6005 12.3382 6.78801 6.11089 numMergedOcc 0
12 mol 131 unq 3 iso 0 dist 6.91348 9.29384 6.01893 13.7237 11.4282 8.50562 12.6005 12.3382 6.78801 10.9311 numMergedOcc 0
13 mol 131 unq 4 iso 0 dist 9.51418 9.29384 15.1974 13.1439 18.4174 5.44303 12.6005 20.4658 6.78801 6.11089 numMergedOcc 0
14 mol 131 unq 5 iso 0 dist 9.51418 9.29384 15.1974 13.7237 16.3398 8.50562 12.6005 20.4658 6.78801 10.9311 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.79571 8.20836 9.65798 4.57832 8.73604 9.30061 16.4114 15.8119 8.48313 16.1483 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 8.79571 8.20836 9.65798 4.57832 8.73604 9.30061 12.8086 14.0978 6.99345 11.5269 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 8.79571 8.20836 9.65798 4.57832 8.73604 9.30061 7.41373 11.7151 5.11043 6.93712 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 6.93652 6.69515 8.00633 10.1386 9.40594 4.46777 13.2918 12.0433 6.77921 3.98068 numMergedOcc 0
19 mol 141 unq 1 iso 0 dist 6.93652 6.69515 8.00633 7.42649 5.26989 6.94988 13.2918 12.0433 6.77921 10.1551 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 6.47873 6.26839 6.8278 11.6598 11.4415 5.68348 10.0756 12.0979 5.53324 4.002 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 6.47873 6.26839 6.8278 11.6598 11.4415 5.68348 11.8031 10.6632 6.72182 7.41775 numMergedOcc 0
22 mol 194 unq 2 iso 0 dist 5.48258 8.83356 7.69247 7.11753 8.52969 5.68348 10.463 11.4718 5.53324 4.002 numMergedOcc 0
23 mol 194 unq 3 iso 0 dist 5.48258 8.83356 7.69247 7.11753 8.52969 5.68348 4.66791 7.10155 6.72182 7.41775 numMergedOcc 0
24 mol 194 unq 4 iso 0 dist 6.15769 8.83356 13.9521 7.11753 12.9874 5.68348 10.463 16.4919 5.53324 4.002 numMergedOcc 0
25 mol 194 unq 5 iso 0 dist 6.15769 8.83356 13.9521 7.11753 12.9874 5.68348 4.66791 9.48418 6.72182 7.41775 numMergedOcc 0
26 mol 194 unq 6 iso 0 dist 8.38695 8.2654 6.8278 12.8755 11.4415 5.68348 12.8494 12.0979 5.53324 4.002 numMergedOcc 0
27 mol 194 unq 7 iso 0 dist 8.38695 8.2654 6.8278 12.8755 11.4415 5.68348 7.73551 10.6632 6.72182 7.41775 numMergedOcc 0
28 mol 218 unq 0 iso 0 dist 8.53199 6.29511 10.1198 7.84019 12.6212 9.32945 6.0516 14.2825 8.04838 6.95765 numMergedOcc 0
29 mol 227 unq 0 iso 0 dist 8.83563 5.87815 4.3387 6.67321 9.28891 7.95359 5.73883 12.1795 9.71916 4.29073 numMergedOcc 0
