0 mol 44 unq 0 iso 0 dist 9.91882 8.12125 7.25707 13.4084 6.16231 7.52117 numMergedOcc 0
1 mol 60 unq 0 iso 0 dist 8.6492 6.30425 4.65127 15.9891 11.2415 9.96399 numMergedOcc 0
2 mol 60 unq 1 iso 0 dist 8.6492 6.30425 4.65127 12.9682 5.94827 7.55695 numMergedOcc 0
3 mol 60 unq 2 iso 0 dist 8.6492 6.30425 4.65127 12.2083 5.32257 8.82176 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 5.20528 11.5334 8.70863 13.2455 11.165 8.00777 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 5.20528 11.5334 8.70863 9.9795 9.29301 7.1589 numMergedOcc 0
6 mol 96 unq 0 iso 0 dist 5.19438 7.06723 7.3964 6.21351 5.04559 5.92032 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.21813 10.7165 8.43352 9.32725 7.06961 7.26086 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 7.89276 8.40294 8.43352 10.6719 7.06961 7.26086 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.51206 4.89837 6.76575 12.4099 7.20706 8.67766 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 8.51206 4.89837 6.76575 11.8462 5.35728 8.0831 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.86487 13.2927 9.77017 12.6327 5.39346 8.729 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.85849 17.112 9.30061 14.0056 7.1797 7.36779 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 7.85849 17.112 9.30061 10.9216 4.57832 8.20836 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 6.08299 9.75179 9.30061 9.14415 7.1797 7.36779 numMergedOcc 0
15 mol 134 unq 3 iso 0 dist 6.08299 9.75179 9.30061 9.79337 4.57832 8.20836 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 6.10556 4.86119 4.46777 10.9387 10.1386 6.69515 numMergedOcc 0
17 mol 141 unq 1 iso 0 dist 6.10556 4.86119 4.46777 12.3743 10.1432 7.86572 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 8.85675 6.03671 6.51014 7.34207 5.27847 7.72144 numMergedOcc 0
19 mol 156 unq 0 iso 0 dist 5.42285 7.66951 7.46845 9.55307 5.81563 5.38091 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 8.41708 8.7763 7.46987 16.5746 9.74148 9.56197 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 8.41708 8.7763 7.46987 11.8774 7.30024 7.24795 numMergedOcc 0
22 mol 186 unq 2 iso 0 dist 8.41708 8.7763 7.46987 15.049 11.6919 8.64409 numMergedOcc 0
23 mol 186 unq 3 iso 0 dist 8.41708 8.7763 7.46987 11.9787 5.3967 7.60202 numMergedOcc 0
24 mol 186 unq 4 iso 0 dist 6.0685 8.49599 7.02575 13.6375 14.4429 9.83476 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 6.67938 8.9748 5.91727 11.0143 5.86489 6.85441 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 9.42329 5.35986 6.78579 11.3254 7.67559 7.63018 numMergedOcc 0
27 mol 225 unq 0 iso 0 dist 8.05594 13.1808 8.20162 14.1724 7.17211 6.6561 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 9.45021 15.5048 7.95359 15.3272 6.67321 5.87815 numMergedOcc 0
29 mol 274 unq 0 iso 0 dist 6.74022 12.9095 8.2997 9.13226 5.29529 9.56685 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 6.71956 6.63088 7.85414 7.151 6.28695 6.57903 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 6.71956 6.63088 7.85414 10.4836 4.39413 9.65707 numMergedOcc 0
