0 mol 28 unq 0 iso 0 dist 8.42022 9.48095 6.13308 6.46236 6.59687 8.71168 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.47584 9.48095 4.03498 6.46236 9.70195 8.71168 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.60121 7.61643 4.03498 12.0744 9.70195 8.71168 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 5.64624 8.85208 4.03498 9.86606 9.70195 8.71168 numMergedOcc 0
4 mol 44 unq 0 iso 0 dist 9.55067 8.60575 4.66466 5.01912 9.12845 6.11574 numMergedOcc 0
5 mol 96 unq 0 iso 0 dist 8.09839 9.48287 11.9027 5.98346 12.4581 7.64192 numMergedOcc 0
6 mol 99 unq 0 iso 0 dist 4.69052 7.55765 6.06914 5.91888 7.55911 4.82346 numMergedOcc 0
7 mol 99 unq 1 iso 0 dist 4.69052 7.55765 6.06914 10.0064 11.3426 8.07233 numMergedOcc 0
8 mol 104 unq 0 iso 0 dist 8.46326 5.74478 5.30572 6.02556 7.00359 7.32917 numMergedOcc 0
9 mol 104 unq 1 iso 0 dist 8.46326 5.74478 5.30572 4.09273 9.41597 8.84844 numMergedOcc 0
10 mol 171 unq 0 iso 0 dist 6.22076 7.38306 9.89345 4.74273 10.8108 7.85183 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 5.77564 8.39237 7.19462 15.2663 16.1967 9.60838 numMergedOcc 0
12 mol 192 unq 0 iso 0 dist 8.64985 5.91901 4.64973 5.88368 10.3436 5.83093 numMergedOcc 0
13 mol 197 unq 0 iso 0 dist 8.60931 6.22734 6.23832 4.77702 11.1978 7.69352 numMergedOcc 0
14 mol 198 unq 0 iso 0 dist 8.80787 5.42463 9.58202 5.71019 10.8011 7.89026 numMergedOcc 0
15 mol 198 unq 1 iso 0 dist 7.07752 5.42463 5.14264 5.71019 10.8261 7.89026 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 8.04498 9.92924 13.46 12.4493 15.7072 9.23669 numMergedOcc 0
17 mol 272 unq 0 iso 0 dist 6.63595 8.38819 10.894 8.75845 11.3971 5.34803 numMergedOcc 0
