0 mol 4 unq 0 iso 0 dist 8.15534 7.58769 6.21697 5.12159 6.12485 6.86951 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 8.15534 7.58769 6.21697 10.7952 9.04027 14.3341 numMergedOcc 0
2 mol 4 unq 2 iso 0 dist 7.58769 8.15534 6.21697 5.12159 6.86951 6.12485 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 9.34433 7.19567 12.662 5.9674 7.32913 11.2209 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 8.71324 9.5663 7.89535 10.7791 8.86433 15.9783 numMergedOcc 0
5 mol 64 unq 1 iso 0 dist 9.5663 8.71324 7.89535 12.0987 5.66803 13.034 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 8.21588 6.62798 5.38943 5.34066 5.62336 5.63748 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 6.62798 8.21588 5.38943 10.7803 9.90256 14.3873 numMergedOcc 0
8 mol 87 unq 2 iso 0 dist 6.62798 8.21588 5.38943 5.34066 5.63748 5.62336 numMergedOcc 0
9 mol 87 unq 3 iso 0 dist 8.15104 9.94718 5.38943 5.22028 5.62336 5.63748 numMergedOcc 0
10 mol 87 unq 4 iso 0 dist 9.94718 8.15104 5.38943 13.2349 9.90256 14.3873 numMergedOcc 0
11 mol 87 unq 5 iso 0 dist 9.94718 8.15104 5.38943 5.22028 5.63748 5.62336 numMergedOcc 0
12 mol 102 unq 0 iso 0 dist 7.90927 6.7095 12.2274 11.8843 8.03869 17.5964 numMergedOcc 0
13 mol 103 unq 0 iso 0 dist 7.95136 5.8915 6.73664 5.29804 7.66418 8.078 numMergedOcc 0
14 mol 103 unq 1 iso 0 dist 5.8915 7.95136 6.73664 5.29804 8.078 7.66418 numMergedOcc 0
15 mol 103 unq 2 iso 0 dist 5.8915 7.95136 6.73664 8.4824 6.56481 13.1619 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 9.18707 5.91786 5.54133 10.4327 8.80824 11.8022 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 9.18707 5.91786 5.54133 5.31483 9.67606 9.41083 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 5.91786 9.18707 5.54133 5.31483 9.41083 9.67606 numMergedOcc 0
19 mol 165 unq 0 iso 0 dist 7.22838 9.76113 11.3372 5.97663 6.85551 14.8935 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 8.21538 5.63632 9.71185 6.04551 8.85111 6.38335 numMergedOcc 0
21 mol 182 unq 1 iso 0 dist 5.63632 8.21538 9.71185 6.04551 6.38335 8.85111 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 9.35708 8.40313 5.95728 12.3139 9.2254 14.4113 numMergedOcc 0
23 mol 187 unq 0 iso 0 dist 9.55621 8.8048 12.8195 9.61673 5.58167 14.98 numMergedOcc 0
24 mol 187 unq 1 iso 0 dist 9.55621 8.8048 12.8195 12.9459 8.0501 17.3296 numMergedOcc 0
25 mol 189 unq 0 iso 0 dist 9.36549 6.77351 10.6261 5.42089 6.77641 10.7595 numMergedOcc 0
26 mol 189 unq 1 iso 0 dist 9.36549 6.77351 10.6261 9.94975 7.54658 12.7394 numMergedOcc 0
27 mol 192 unq 0 iso 0 dist 8.82945 6.6011 6.07205 7.41218 7.36571 9.3964 numMergedOcc 0
28 mol 192 unq 1 iso 0 dist 8.82945 6.6011 6.07205 16.7139 9.80122 13.7273 numMergedOcc 0
29 mol 192 unq 2 iso 0 dist 8.82945 6.6011 6.07205 14.6803 9.17137 14.7669 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 9.54443 9.37257 12.4294 12.5471 5.86839 17.889 numMergedOcc 0
31 mol 236 unq 0 iso 0 dist 8.80671 9.81411 9.43276 14.8289 7.74348 16.1333 numMergedOcc 0
32 mol 245 unq 0 iso 0 dist 8.03294 6.18575 6.87629 8.2332 9.96585 10.9892 numMergedOcc 0
33 mol 245 unq 1 iso 0 dist 8.03294 6.18575 6.87629 9.39435 7.27022 11.5217 numMergedOcc 0
34 mol 245 unq 2 iso 0 dist 8.03294 6.18575 6.87629 15.5115 7.95061 14.4872 numMergedOcc 0
35 mol 261 unq 0 iso 0 dist 6.93654 9.66298 4.70691 4.95392 7.58385 9.25991 numMergedOcc 0
36 mol 261 unq 1 iso 0 dist 6.93654 9.66298 4.70691 6.94755 6.0437 4.85199 numMergedOcc 0
37 mol 261 unq 2 iso 0 dist 9.66298 6.93654 4.70691 6.94755 4.85199 6.0437 numMergedOcc 0
38 mol 261 unq 3 iso 0 dist 9.66298 6.93654 4.70691 17.3605 9.72159 13.9529 numMergedOcc 0
39 mol 266 unq 0 iso 0 dist 7.72433 9.46926 6.70676 5.86368 6.57444 11.4453 numMergedOcc 0
40 mol 266 unq 1 iso 0 dist 7.72433 9.46926 6.70676 4.95934 7.9555 8.8646 numMergedOcc 0
41 mol 266 unq 2 iso 0 dist 9.46926 7.72433 6.70676 4.95934 8.8646 7.9555 numMergedOcc 0
