0 mol 37 unq 0 iso 0 dist 6.64605 8.26833 9.6756 5.04485 11.3767 8.51021 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 9.14996 5.76869 7.35107 5.91159 7.57749 6.03151 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 9.47718 5.76869 8.85515 5.91159 8.55202 6.03151 numMergedOcc 0
3 mol 46 unq 2 iso 0 dist 8.9459 5.76869 10.1002 5.91159 13.6147 6.03151 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 9.49487 7.36255 4.58417 7.3395 10.1246 5.62688 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 7.74131 6.96066 12.7438 3.80156 8.59739 6.63733 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.84249 9.28645 4.59061 3.78964 4.77996 7.77418 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 9.50603 9.32658 17.1224 3.72135 12.1847 8.0852 numMergedOcc 0
8 mol 162 unq 1 iso 0 dist 9.50603 9.32658 17.1224 7.66483 16.7517 8.83222 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 9.80584 9.9224 14.5078 3.81315 10.8599 9.62225 numMergedOcc 0
10 mol 192 unq 1 iso 0 dist 7.95713 9.9224 10.161 3.81315 8.8637 9.62225 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 8.97651 4.86882 6.4405 6.61517 11.6628 5.66071 numMergedOcc 0
12 mol 238 unq 0 iso 0 dist 7.82564 5.83646 5.12308 3.72761 6.96382 5.41453 numMergedOcc 0
13 mol 238 unq 1 iso 0 dist 9.91136 5.83646 4.29839 3.72761 8.6732 5.41453 numMergedOcc 0
14 mol 247 unq 0 iso 0 dist 9.65548 7.85081 12.2609 7.1875 15.1366 5.52484 numMergedOcc 0
15 mol 247 unq 1 iso 0 dist 8.05213 7.85081 5.57603 7.1875 10.1198 5.52484 numMergedOcc 0
16 mol 247 unq 2 iso 0 dist 8.67304 7.85081 8.53302 7.1875 9.01651 5.52484 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 9.05363 5.16838 11.3649 9.54522 13.9131 6.95658 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 9.27493 6.8693 4.77555 11.0896 10.4459 9.00595 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 9.27493 6.8693 4.77555 15.4174 10.6579 9.40401 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 8.36393 5.96202 7.50871 3.77125 8.4275 8.39635 numMergedOcc 0
