0 mol 4 unq 0 iso 0 dist 8.15534 7.58769 6.21697 5.12159 6.12485 6.86951 10.7952 9.04027 14.3341 9.77707 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 8.15534 7.58769 6.21697 10.7952 9.04027 14.3341 5.12159 6.12485 6.86951 9.77707 numMergedOcc 0
2 mol 87 unq 0 iso 0 dist 6.62798 8.21588 5.38943 10.7803 9.90256 14.3873 5.34066 5.63748 5.62336 10.445 numMergedOcc 0
3 mol 87 unq 0 iso 1 dist 6.62798 8.21588 5.38943 5.34066 5.63748 5.62336 10.7803 9.90256 14.3873 10.445 numMergedOcc 0
4 mol 87 unq 1 iso 0 dist 9.94718 8.15104 5.38943 13.2349 9.90256 14.3873 5.22028 5.63748 5.62336 10.445 numMergedOcc 0
5 mol 87 unq 1 iso 1 dist 9.94718 8.15104 5.38943 5.22028 5.63748 5.62336 13.2349 9.90256 14.3873 10.445 numMergedOcc 0
6 mol 103 unq 0 iso 0 dist 5.8915 7.95136 6.73664 5.29804 8.078 7.66418 8.4824 6.56481 13.1619 11.6637 numMergedOcc 0
7 mol 103 unq 0 iso 1 dist 5.8915 7.95136 6.73664 8.4824 6.56481 13.1619 5.29804 8.078 7.66418 11.6637 numMergedOcc 0
8 mol 115 unq 0 iso 0 dist 9.18707 5.91786 5.54133 10.4327 8.80824 11.8022 5.31483 9.67606 9.41083 6.10898 numMergedOcc 0
9 mol 115 unq 0 iso 1 dist 9.18707 5.91786 5.54133 5.31483 9.67606 9.41083 10.4327 8.80824 11.8022 6.10898 numMergedOcc 0
10 mol 187 unq 0 iso 0 dist 9.55621 8.8048 12.8195 9.61673 5.58167 14.98 12.9459 8.0501 17.3296 11.6883 numMergedOcc 0
11 mol 187 unq 0 iso 1 dist 9.55621 8.8048 12.8195 12.9459 8.0501 17.3296 9.61673 5.58167 14.98 11.6883 numMergedOcc 0
12 mol 189 unq 0 iso 0 dist 9.36549 6.77351 10.6261 5.42089 6.77641 10.7595 9.94975 7.54658 12.7394 6.4062 numMergedOcc 0
13 mol 189 unq 0 iso 1 dist 9.36549 6.77351 10.6261 9.94975 7.54658 12.7394 5.42089 6.77641 10.7595 6.4062 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 8.82945 6.6011 6.07205 7.41218 7.36571 9.3964 16.7139 9.80122 13.7273 11.1205 numMergedOcc 0
15 mol 192 unq 0 iso 1 dist 8.82945 6.6011 6.07205 16.7139 9.80122 13.7273 7.41218 7.36571 9.3964 11.1205 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 8.82945 6.6011 6.07205 7.41218 7.36571 9.3964 14.6803 9.17137 14.7669 8.74203 numMergedOcc 0
17 mol 192 unq 1 iso 1 dist 8.82945 6.6011 6.07205 14.6803 9.17137 14.7669 7.41218 7.36571 9.3964 8.74203 numMergedOcc 0
18 mol 192 unq 1 iso 0 dist 8.82945 6.6011 6.07205 16.7139 9.80122 13.7273 14.6803 9.17137 14.7669 8.95038 numMergedOcc 0
19 mol 192 unq 1 iso 1 dist 8.82945 6.6011 6.07205 14.6803 9.17137 14.7669 16.7139 9.80122 13.7273 8.95038 numMergedOcc 0
20 mol 245 unq 0 iso 0 dist 8.03294 6.18575 6.87629 8.2332 9.96585 10.9892 9.39435 7.27022 11.5217 5.15551 numMergedOcc 0
21 mol 245 unq 0 iso 1 dist 8.03294 6.18575 6.87629 9.39435 7.27022 11.5217 8.2332 9.96585 10.9892 5.15551 numMergedOcc 0
22 mol 245 unq 1 iso 0 dist 8.03294 6.18575 6.87629 8.2332 9.96585 10.9892 15.5115 7.95061 14.4872 14.3262 numMergedOcc 0
23 mol 245 unq 1 iso 1 dist 8.03294 6.18575 6.87629 15.5115 7.95061 14.4872 8.2332 9.96585 10.9892 14.3262 numMergedOcc 0
24 mol 245 unq 1 iso 0 dist 8.03294 6.18575 6.87629 9.39435 7.27022 11.5217 15.5115 7.95061 14.4872 9.67137 numMergedOcc 0
25 mol 245 unq 1 iso 1 dist 8.03294 6.18575 6.87629 15.5115 7.95061 14.4872 9.39435 7.27022 11.5217 9.67137 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 6.93654 9.66298 4.70691 4.95392 7.58385 9.25991 6.94755 6.0437 4.85199 5.29945 numMergedOcc 0
27 mol 261 unq 0 iso 1 dist 6.93654 9.66298 4.70691 6.94755 6.0437 4.85199 4.95392 7.58385 9.25991 5.29945 numMergedOcc 0
28 mol 261 unq 1 iso 0 dist 9.66298 6.93654 4.70691 6.94755 4.85199 6.0437 17.3605 9.72159 13.9529 10.4196 numMergedOcc 0
29 mol 261 unq 1 iso 1 dist 9.66298 6.93654 4.70691 17.3605 9.72159 13.9529 6.94755 4.85199 6.0437 10.4196 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 7.72433 9.46926 6.70676 5.86368 6.57444 11.4453 4.95934 7.9555 8.8646 5.77131 numMergedOcc 0
31 mol 266 unq 0 iso 1 dist 7.72433 9.46926 6.70676 4.95934 7.9555 8.8646 5.86368 6.57444 11.4453 5.77131 numMergedOcc 0
