0 mol 0 unq 0 iso 0 dist 6.3267 8.34244 6.0597 8.66548 4.22598 8.73015 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 8.11206 8.71752 4.73598 6.78936 10.1896 10.8132 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 8.11206 7.60283 7.47886 6.78936 10.1896 13.4461 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.48825 4.62858 7.14527 8.74576 5.57199 6.30042 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.55901 8.90835 4.46241 8.38156 10.4688 10.4006 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 8.55901 8.90835 4.46241 7.79336 10.3961 7.68459 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 8.55901 8.90835 4.46241 7.08559 7.52709 5.70782 numMergedOcc 0
7 mol 34 unq 3 iso 0 dist 9.03412 8.90835 7.91976 8.38156 5.60198 10.4006 numMergedOcc 0
8 mol 34 unq 4 iso 0 dist 9.03412 8.90835 7.91976 7.79336 9.85481 7.68459 numMergedOcc 0
9 mol 34 unq 5 iso 0 dist 9.03412 8.90835 7.91976 7.08559 10.3431 5.70782 numMergedOcc 0
10 mol 39 unq 0 iso 0 dist 8.43814 6.47855 10.3659 8.94353 3.82528 10.5824 numMergedOcc 0
11 mol 39 unq 1 iso 0 dist 8.43814 6.47855 10.3659 7.30265 10.9581 3.91611 numMergedOcc 0
12 mol 39 unq 2 iso 0 dist 8.16689 6.47855 5.7332 8.94353 6.18816 10.5824 numMergedOcc 0
13 mol 39 unq 3 iso 0 dist 8.16689 6.47855 5.7332 7.30265 6.18136 3.91611 numMergedOcc 0
14 mol 45 unq 0 iso 0 dist 8.59109 5.55096 8.70414 5.81001 11.9463 4.06745 numMergedOcc 0
15 mol 45 unq 1 iso 0 dist 8.13782 5.55096 6.39184 5.81001 4.51883 4.06745 numMergedOcc 0
16 mol 59 unq 0 iso 0 dist 6.90952 9.52272 8.01051 6.52887 8.83983 4.72639 numMergedOcc 0
17 mol 59 unq 1 iso 0 dist 6.90952 9.52272 8.01051 8.35444 6.61741 14.2005 numMergedOcc 0
18 mol 114 unq 0 iso 0 dist 8.39249 5.79343 6.76585 5.51885 4.81369 4.08391 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 7.99631 7.70313 11.4407 8.0168 6.04071 10.3264 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 6.40036 7.70313 5.67953 8.0168 5.65471 10.3264 numMergedOcc 0
21 mol 115 unq 2 iso 0 dist 6.40036 7.52142 9.65908 7.65255 5.78043 6.44969 numMergedOcc 0
22 mol 133 unq 0 iso 0 dist 6.98849 6.87262 6.15037 6.84165 3.95776 5.46083 numMergedOcc 0
23 mol 133 unq 1 iso 0 dist 9.94276 6.51868 6.00607 9.10003 7.789 10.0161 numMergedOcc 0
24 mol 133 unq 2 iso 0 dist 9.94276 7.34698 12.0514 9.10003 7.789 11.7838 numMergedOcc 0
25 mol 133 unq 3 iso 0 dist 9.05357 6.51868 10.2267 9.10003 6.11311 10.0161 numMergedOcc 0
26 mol 133 unq 4 iso 0 dist 9.05357 7.34698 14.5639 9.10003 6.11311 11.7838 numMergedOcc 0
27 mol 133 unq 5 iso 0 dist 5.99299 6.51868 5.59913 9.10003 5.74928 10.0161 numMergedOcc 0
28 mol 133 unq 6 iso 0 dist 5.99299 7.34698 6.27692 9.10003 5.74928 11.7838 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 6.4218 6.93279 12.2578 5.52149 11.3936 6.06606 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 6.4218 6.21403 7.99114 5.73203 5.58312 4.07076 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 6.4218 6.21403 7.99114 6.57379 9.61537 6.32315 numMergedOcc 0
32 mol 157 unq 0 iso 0 dist 7.23499 6.455 8.17657 6.4431 5.38303 3.89036 numMergedOcc 0
33 mol 173 unq 0 iso 0 dist 9.79554 8.41245 12.6533 8.62366 12.9142 16.0084 numMergedOcc 0
34 mol 173 unq 1 iso 0 dist 9.79554 8.41245 12.6533 9.44973 12.5859 13.8465 numMergedOcc 0
35 mol 173 unq 2 iso 0 dist 9.79554 8.41245 12.6533 6.52508 14.5434 11.2063 numMergedOcc 0
36 mol 173 unq 3 iso 0 dist 9.79554 6.64779 15.1434 8.62366 12.9142 11.3761 numMergedOcc 0
37 mol 173 unq 4 iso 0 dist 9.79554 6.64779 15.1434 9.44973 12.5859 9.90783 numMergedOcc 0
38 mol 173 unq 5 iso 0 dist 9.79554 6.64779 15.1434 6.52508 14.5434 4.60149 numMergedOcc 0
39 mol 204 unq 0 iso 0 dist 5.89018 9.55606 8.92711 8.66162 4.08137 9.96173 numMergedOcc 0
40 mol 204 unq 1 iso 0 dist 5.89018 7.10526 7.34293 5.3819 9.11693 6.65648 numMergedOcc 0
41 mol 222 unq 0 iso 0 dist 6.94853 9.92417 6.08084 6.15777 4.00626 7.99235 numMergedOcc 0
42 mol 225 unq 0 iso 0 dist 8.75834 9.47117 17.6349 5.93063 11.3004 10.1358 numMergedOcc 0
43 mol 225 unq 1 iso 0 dist 9.36396 9.47117 5.25065 5.93063 11.0634 10.1358 numMergedOcc 0
44 mol 227 unq 0 iso 0 dist 7.95168 7.57454 9.75331 7.79951 12.0749 12.8337 numMergedOcc 0
45 mol 234 unq 0 iso 0 dist 8.49841 7.43663 7.17691 8.27411 6.00588 11.1693 numMergedOcc 0
46 mol 234 unq 1 iso 0 dist 8.49841 7.43663 7.17691 6.96257 14.8966 10.7351 numMergedOcc 0
47 mol 234 unq 2 iso 0 dist 9.6101 7.43663 4.51304 8.27411 13.9373 11.1693 numMergedOcc 0
48 mol 234 unq 3 iso 0 dist 9.6101 7.43663 4.51304 6.96257 10.72 10.7351 numMergedOcc 0
49 mol 243 unq 0 iso 0 dist 9.1101 7.12785 4.78857 9.33476 10.106 10.1372 numMergedOcc 0
50 mol 270 unq 0 iso 0 dist 9.16073 7.89388 6.0625 9.85255 4.69954 4.11153 numMergedOcc 0
51 mol 270 unq 1 iso 0 dist 8.39167 7.89388 5.91256 9.85255 9.04454 4.11153 numMergedOcc 0
52 mol 274 unq 0 iso 0 dist 8.49866 9.20749 11.0599 6.66172 5.70568 5.39432 numMergedOcc 0
