0 mol 11 unq 0 iso 0 dist 6.54358 9.68636 9.89425 4.61088 4.10106 6.84216 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.12845 11.5008 8.97754 10.2542 7.11305 7.98005 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 7.26639 10.028 7.00717 15.1366 10.622 7.68478 numMergedOcc 0
3 mol 38 unq 1 iso 0 dist 7.26639 10.028 7.00717 10.3882 6.10572 6.87122 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 9.9787 10.6814 5.4713 15.1847 12.3186 9.45756 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 9.97769 11.884 9.10675 20.044 13.5805 9.23438 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 9.97769 11.884 9.10675 17.3845 10.0669 7.17488 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 9.97769 11.884 9.10675 10.3988 4.00553 6.79356 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 9.32706 12.0104 9.10675 20.2808 13.5805 9.23438 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 9.32706 12.0104 9.10675 16.4471 10.0669 7.17488 numMergedOcc 0
10 mol 58 unq 5 iso 0 dist 9.32706 12.0104 9.10675 11.221 4.00553 6.79356 numMergedOcc 0
11 mol 58 unq 6 iso 0 dist 9.08221 5.87468 9.10675 13.497 13.5805 9.23438 numMergedOcc 0
12 mol 58 unq 7 iso 0 dist 9.08221 5.87468 9.10675 12.1902 10.0669 7.17488 numMergedOcc 0
13 mol 58 unq 8 iso 0 dist 9.08221 5.87468 9.10675 6.64012 4.00553 6.79356 numMergedOcc 0
14 mol 68 unq 0 iso 0 dist 6.17207 12.0839 9.63906 10.6668 5.74372 8.06267 numMergedOcc 0
15 mol 68 unq 1 iso 0 dist 6.17207 10.0156 7.71872 10.6668 5.74372 5.88334 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 8.27883 4.73066 4.3439 9.03572 4.99174 7.51733 numMergedOcc 0
17 mol 95 unq 1 iso 0 dist 8.27883 4.73066 4.3439 8.83255 8.67311 9.01607 numMergedOcc 0
18 mol 95 unq 2 iso 0 dist 5.75428 4.73066 6.05855 9.03572 4.46005 7.51733 numMergedOcc 0
19 mol 95 unq 3 iso 0 dist 5.75428 4.73066 6.05855 8.83255 3.94293 9.01607 numMergedOcc 0
20 mol 95 unq 4 iso 0 dist 7.7152 4.20834 4.3439 11.5113 4.99174 7.51733 numMergedOcc 0
21 mol 95 unq 5 iso 0 dist 7.7152 4.20834 4.3439 12.9844 8.67311 9.01607 numMergedOcc 0
22 mol 110 unq 0 iso 0 dist 8.49678 6.79448 9.25023 11.4939 8.4494 9.10911 numMergedOcc 0
23 mol 112 unq 0 iso 0 dist 9.02706 6.35793 5.92828 11.5121 6.95317 6.87434 numMergedOcc 0
24 mol 112 unq 1 iso 0 dist 8.47988 4.69658 5.92828 7.71338 6.95317 6.87434 numMergedOcc 0
25 mol 112 unq 2 iso 0 dist 9.39168 6.35793 9.1247 11.5121 7.57713 6.87434 numMergedOcc 0
26 mol 112 unq 3 iso 0 dist 8.0427 4.69658 9.1247 7.71338 7.57713 6.87434 numMergedOcc 0
27 mol 113 unq 0 iso 0 dist 8.80934 13.0914 4.30875 5.86073 5.70579 9.59585 numMergedOcc 0
28 mol 113 unq 1 iso 0 dist 8.80934 12.5818 8.65807 5.86073 5.70579 9.7073 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 9.10524 14.9489 6.76852 10.9916 5.76063 6.09063 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 5.35237 7.89899 4.94473 9.47394 4.63567 6.09063 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 9.00918 9.39407 6.76852 12.3971 5.76063 6.09063 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 7.99477 9.39407 4.94473 12.3971 4.63567 6.09063 numMergedOcc 0
33 mol 142 unq 0 iso 0 dist 7.81207 4.05822 5.42679 9.2313 4.67662 8.04118 numMergedOcc 0
34 mol 142 unq 1 iso 0 dist 7.81207 4.05822 5.42679 7.73169 5.81599 8.39035 numMergedOcc 0
35 mol 142 unq 2 iso 0 dist 6.14151 4.7832 5.42679 5.31024 4.67662 8.04118 numMergedOcc 0
36 mol 142 unq 3 iso 0 dist 6.14151 4.7832 5.42679 7.26382 5.81599 8.39035 numMergedOcc 0
37 mol 143 unq 0 iso 0 dist 5.40637 6.75249 6.60366 5.99315 7.39837 8.64905 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 6.59889 10.6994 8.60651 10.399 4.94983 6.79114 numMergedOcc 0
39 mol 152 unq 1 iso 0 dist 6.70693 4.68615 8.60651 5.87555 4.94983 6.79114 numMergedOcc 0
40 mol 168 unq 0 iso 0 dist 6.02086 12.7437 8.21227 18.8183 13.2594 7.48734 numMergedOcc 0
41 mol 168 unq 1 iso 0 dist 6.02086 12.7437 8.21227 14.6546 10.7557 5.6125 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 7.21137 9.8496 7.68686 10.0042 8.97813 9.31158 numMergedOcc 0
43 mol 205 unq 1 iso 0 dist 8.4844 4.69695 7.68686 13.4269 8.97813 9.31158 numMergedOcc 0
44 mol 222 unq 0 iso 0 dist 5.56538 8.89157 8.88902 7.21333 6.84862 5.1609 numMergedOcc 0
45 mol 252 unq 0 iso 0 dist 7.15764 9.93981 9.81261 12.6348 12.2555 8.55044 numMergedOcc 0
