0 mol 26 unq 0 iso 0 dist 9.74242 7.89464 6.15893 13.1508 5.29055 9.06516 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.74242 7.89464 6.15893 13.4644 6.64374 6.79475 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 9.61335 12.5648 7.60283 19.2415 13.4461 6.78936 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 9.39717 7.33601 7.9067 10.142 9.25868 7.08841 numMergedOcc 0
4 mol 32 unq 0 iso 0 dist 7.98862 6.13477 4.62858 10.192 6.30042 8.74576 numMergedOcc 0
5 mol 32 unq 1 iso 0 dist 5.78878 4.99112 4.62858 10.4586 6.30042 8.74576 numMergedOcc 0
6 mol 32 unq 2 iso 0 dist 7.98414 6.44894 4.62858 9.33105 6.30042 8.74576 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 6.02731 7.29999 6.04903 5.6359 4.09232 9.1062 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 5.86118 8.6915 9.0008 5.35145 5.26394 8.96498 numMergedOcc 0
9 mol 67 unq 1 iso 0 dist 5.86118 8.6915 9.0008 15.7691 14.1568 7.5228 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 6.75179 10.6528 7.70313 16.2593 10.3264 8.0168 numMergedOcc 0
11 mol 128 unq 0 iso 0 dist 9.38149 6.31583 7.75012 9.02144 10.5938 6.47811 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 8.21272 13.0233 6.87262 11.7878 5.46083 6.84165 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 8.80059 8.27116 7.60254 11.2284 4.02702 7.06851 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 7.3879 6.76195 8.41245 15.211 16.0084 8.62366 numMergedOcc 0
15 mol 173 unq 1 iso 0 dist 7.3879 6.76195 8.41245 15.9353 13.8465 9.44973 numMergedOcc 0
16 mol 173 unq 2 iso 0 dist 7.3879 6.76195 8.41245 12.0939 11.2063 6.52508 numMergedOcc 0
17 mol 173 unq 3 iso 0 dist 9.70728 6.76195 6.64779 15.211 11.3761 8.62366 numMergedOcc 0
18 mol 173 unq 4 iso 0 dist 9.70728 6.76195 6.64779 15.9353 9.90783 9.44973 numMergedOcc 0
19 mol 173 unq 5 iso 0 dist 9.70728 6.76195 6.64779 12.0939 4.60149 6.52508 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.91457 9.29611 7.05653 14.7049 4.98436 9.09234 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 9.91457 9.29611 7.05653 15.7603 11.9796 6.76746 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 9.91457 9.29611 7.05653 18.1044 12.3589 8.92098 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 6.27438 6.4725 9.47117 10.2112 10.1358 5.93063 numMergedOcc 0
24 mol 234 unq 0 iso 0 dist 9.45787 5.04225 7.43663 4.37501 11.1693 8.27411 numMergedOcc 0
25 mol 234 unq 1 iso 0 dist 9.45787 5.04225 7.43663 11.866 10.7351 6.96257 numMergedOcc 0
26 mol 243 unq 0 iso 0 dist 7.24253 5.32118 7.12785 5.91328 10.1372 9.33476 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 9.98231 11.4659 8.71497 16.5308 7.57379 8.84648 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 9.98231 11.4659 8.71497 9.93282 4.47425 6.23661 numMergedOcc 0
