0 mol 34 unq 0 iso 0 dist 8.71284 7.07773 9.10687 4.30086 11.1558 9.99939 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.74005 7.80117 5.29574 9.69698 13.3156 9.02471 numMergedOcc 0
2 mol 115 unq 0 iso 0 dist 5.9575 9.22398 8.16155 5.28643 6.97707 4.76974 numMergedOcc 0
3 mol 130 unq 0 iso 0 dist 6.87196 8.12319 3.88766 5.25879 8.78276 8.81797 numMergedOcc 0
4 mol 130 unq 1 iso 0 dist 6.87196 8.12319 3.88766 5.26656 7.88805 9.81269 numMergedOcc 0
5 mol 130 unq 2 iso 0 dist 6.87196 8.12319 3.88766 10.9365 7.96646 5.92733 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 5.43662 8.44004 5.92118 5.29825 8.70296 8.80895 numMergedOcc 0
7 mol 168 unq 0 iso 0 dist 8.30857 7.667 5.71136 7.26802 7.44629 8.92592 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 5.25309 7.39733 3.63671 7.07865 5.94469 8.29467 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 6.65725 7.72354 5.05856 7.25468 6.42735 9.84566 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 9.819 7.26295 3.7326 15.6354 8.65535 9.52922 numMergedOcc 0
11 mol 194 unq 1 iso 0 dist 9.819 7.31316 7.29209 14.1448 16.3832 9.38984 numMergedOcc 0
12 mol 194 unq 2 iso 0 dist 9.819 7.31316 7.29209 12.1716 16.8644 9.91118 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 9.25097 7.99963 12.3078 4.77446 11.5039 4.43499 numMergedOcc 0
14 mol 252 unq 0 iso 0 dist 9.1191 7.38867 3.99887 12.4004 10.3607 8.55044 numMergedOcc 0
15 mol 257 unq 0 iso 0 dist 6.8256 8.81508 8.63927 6.64096 12.5799 9.6834 numMergedOcc 0
16 mol 292 unq 0 iso 0 dist 6.68183 8.27039 5.06937 5.81799 7.07965 4.49592 numMergedOcc 0
