0 mol 21 unq 0 iso 0 dist 8.38921 6.86154 6.08338 10.5369 10.6971 6.93185 13.2401 14.0241 9.35562 3.76294 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 8.38921 6.86154 6.08338 10.5369 10.6971 6.93185 12.4398 4.20001 8.63857 12.9404 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.63534 6.55474 8.19682 9.2958 6.45686 7.03226 12.9361 15.4159 9.4866 10.1364 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 8.51543 8.36307 6.21982 11.2779 4.85247 7.03226 8.18572 5.31985 9.4866 10.1364 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.11612 5.39389 7.76729 12.9167 14.0688 7.70313 9.21978 6.63111 8.0168 10.3264 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.22628 5.26498 7.64585 9.19273 6.40494 7.52142 9.26505 6.95773 7.65255 6.44969 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.94909 11.1266 7.92688 12.3907 5.92062 6.51868 19.7175 14.8533 9.10003 10.0161 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 8.94909 11.1266 7.92688 14.2267 6.61891 7.34698 19.7175 14.8533 9.10003 11.7838 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 8.75736 9.88404 8.94837 15.5174 14.2198 6.93279 10.2034 11.5407 5.52149 6.06606 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 6.76166 6.15672 8.94837 12.8792 14.2198 6.93279 9.13631 11.5407 5.52149 6.06606 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 6.32178 9.88404 7.77454 15.5174 11.147 6.93279 10.2034 5.91192 5.52149 6.06606 numMergedOcc 0
11 mol 134 unq 3 iso 0 dist 7.2977 6.15672 7.77454 12.8792 11.147 6.93279 9.13631 5.91192 5.52149 6.06606 numMergedOcc 0
12 mol 173 unq 0 iso 0 dist 9.09857 9.00192 8.31897 13.1046 10.8609 8.41245 11.0639 8.63452 8.62366 16.0084 numMergedOcc 0
13 mol 173 unq 1 iso 0 dist 9.09857 9.00192 8.31897 13.1046 10.8609 8.41245 12.2224 4.83786 9.44973 13.8465 numMergedOcc 0
14 mol 173 unq 2 iso 0 dist 9.09857 9.00192 8.31897 13.1046 10.8609 8.41245 5.82174 3.74688 6.52508 11.2063 numMergedOcc 0
15 mol 173 unq 3 iso 0 dist 9.09857 9.00192 8.31897 6.07708 5.70743 6.64779 11.0639 8.63452 8.62366 11.3761 numMergedOcc 0
16 mol 173 unq 4 iso 0 dist 9.09857 9.00192 8.31897 6.07708 5.70743 6.64779 12.2224 4.83786 9.44973 9.90783 numMergedOcc 0
17 mol 173 unq 5 iso 0 dist 9.09857 9.00192 8.31897 6.07708 5.70743 6.64779 5.82174 3.74688 6.52508 4.60149 numMergedOcc 0
18 mol 181 unq 0 iso 0 dist 6.43406 4.56814 4.93785 9.0234 7.77758 7.05653 11.1968 6.8757 9.09234 4.98436 numMergedOcc 0
19 mol 181 unq 1 iso 0 dist 6.43406 4.56814 4.93785 9.0234 7.77758 7.05653 9.45579 5.71898 6.76746 11.9796 numMergedOcc 0
20 mol 181 unq 2 iso 0 dist 6.43406 4.56814 4.93785 9.0234 7.77758 7.05653 11.3781 5.83796 8.92098 12.3589 numMergedOcc 0
21 mol 234 unq 0 iso 0 dist 8.9413 6.40261 9.5707 12.7701 10.0059 7.43663 6.39499 3.95629 8.27411 11.1693 numMergedOcc 0
22 mol 234 unq 1 iso 0 dist 8.9413 6.40261 9.5707 12.7701 10.0059 7.43663 11.4547 15.9732 6.96257 10.7351 numMergedOcc 0
23 mol 234 unq 2 iso 0 dist 4.91961 12.2893 9.5707 9.33455 10.0059 7.43663 8.6243 3.95629 8.27411 11.1693 numMergedOcc 0
24 mol 234 unq 3 iso 0 dist 4.91961 12.2893 9.5707 9.33455 10.0059 7.43663 17.9127 15.9732 6.96257 10.7351 numMergedOcc 0
25 mol 235 unq 0 iso 0 dist 8.84872 13.4086 9.58736 20.4752 15.6327 7.31773 17.7298 13.7306 7.02029 5.4263 numMergedOcc 0
26 mol 235 unq 1 iso 0 dist 8.79626 12.9417 7.32211 14.0786 6.46722 7.31773 17.4504 10.7187 7.02029 5.4263 numMergedOcc 0
27 mol 238 unq 0 iso 0 dist 6.51823 6.04481 7.2766 6.62283 10.4017 8.09718 13.6578 10.0605 8.69525 15.3328 numMergedOcc 0
28 mol 238 unq 1 iso 0 dist 6.51823 6.04481 7.2766 8.60978 7.95232 6.73446 13.6578 10.0605 8.69525 10.3346 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 6.20344 12.9748 7.48005 10.7258 8.81835 8.71497 14.558 10.282 8.84648 7.57379 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 6.20344 12.9748 7.48005 10.7258 8.81835 8.71497 13.5375 10.067 6.23661 4.47425 numMergedOcc 0
31 mol 282 unq 0 iso 0 dist 7.12228 7.00729 7.32347 9.88071 6.6348 6.8972 10.9891 5.29852 7.52924 4.10152 numMergedOcc 0
