0 mol 0 unq 0 iso 0 dist 5.98788 7.49611 6.91778 11.0244 9.15528 7.65806 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 9.02286 14.1047 6.44736 19.2577 12.2869 9.60499 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.00738 11.2749 8.6653 12.8488 5.64303 7.31767 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 8.00738 11.2749 8.6653 10.5677 5.82503 6.03987 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 8.00738 4.96681 7.92503 9.22151 6.11127 7.57578 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 8.00738 4.96681 7.92503 6.22122 5.30154 7.17969 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 9.86224 16.5113 6.85556 14.6002 5.68392 6.03987 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 9.20373 15.0205 6.14538 10.042 4.29856 6.83299 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 8.60653 5.65405 7.21717 14.4402 15.293 9.5589 numMergedOcc 0
9 mol 54 unq 2 iso 0 dist 8.60653 5.65405 7.21717 10.5929 13.86 6.83299 numMergedOcc 0
10 mol 54 unq 3 iso 0 dist 8.60653 5.65405 7.21717 6.54183 5.99981 8.10861 numMergedOcc 0
11 mol 61 unq 0 iso 0 dist 5.67362 5.46309 9.25641 9.70415 13.5488 6.65721 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 8.48678 13.9683 6.7117 15.44 7.06961 5.08437 numMergedOcc 0
13 mol 98 unq 1 iso 0 dist 8.48678 11.0642 4.47349 15.44 7.06961 6.10456 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 7.1754 7.77542 7.80975 13.6846 7.97897 8.87449 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 7.1754 11.0907 7.10378 14.768 10.6848 7.17106 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 5.9575 6.23018 6.92026 9.47822 6.77806 5.11551 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 5.9575 5.14332 5.88249 9.47822 6.77806 7.11972 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 5.9575 5.14332 5.88249 8.46684 5.31484 6.90986 numMergedOcc 0
19 mol 115 unq 3 iso 0 dist 5.9575 5.28643 6.97707 8.46684 5.31484 5.39945 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 9.21645 11.6494 8.00003 16.8793 10.4376 6.18601 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 9.57532 12.1367 9.23858 13.63 9.89358 8.73993 numMergedOcc 0
22 mol 119 unq 2 iso 0 dist 8.61574 10.5726 9.23858 8.88255 9.89358 8.73993 numMergedOcc 0
23 mol 130 unq 0 iso 0 dist 6.87196 10.9365 7.96646 13.2314 6.73735 9.28393 numMergedOcc 0
24 mol 131 unq 0 iso 0 dist 5.43662 5.29825 8.70296 12.0117 14.2045 6.85062 numMergedOcc 0
25 mol 133 unq 0 iso 0 dist 9.93309 10.4303 9.22232 15.5187 16.0138 7.11802 numMergedOcc 0
26 mol 156 unq 0 iso 0 dist 6.10069 9.92385 9.47433 15.4121 11.9952 7.44554 numMergedOcc 0
27 mol 156 unq 1 iso 0 dist 6.40435 11.0374 9.44367 10.2339 5.4555 7.44554 numMergedOcc 0
28 mol 156 unq 2 iso 0 dist 6.40435 9.75709 7.90267 9.68507 6.03934 7.66148 numMergedOcc 0
29 mol 156 unq 3 iso 0 dist 6.40435 9.75709 7.90267 10.2339 5.4555 8.94056 numMergedOcc 0
30 mol 180 unq 0 iso 0 dist 9.59587 6.93557 5.85827 16.3276 8.78204 9.62337 numMergedOcc 0
31 mol 181 unq 0 iso 0 dist 9.99409 5.114 8.90963 8.90247 8.91338 9.1374 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 9.99409 5.114 8.90963 10.3907 9.81073 5.98885 numMergedOcc 0
33 mol 181 unq 2 iso 0 dist 9.99409 5.114 8.90963 13.7299 9.34211 9.15386 numMergedOcc 0
34 mol 181 unq 3 iso 0 dist 8.50938 5.32859 6.46704 11.0615 4.43096 8.03334 numMergedOcc 0
35 mol 181 unq 4 iso 0 dist 5.25309 7.07865 5.94469 9.79901 7.77758 7.81386 numMergedOcc 0
36 mol 181 unq 5 iso 0 dist 5.25309 7.07865 5.94469 13.7928 12.5387 7.63312 numMergedOcc 0
37 mol 186 unq 0 iso 0 dist 5.77158 5.87924 7.66165 5.16813 5.4141 9.70748 numMergedOcc 0
38 mol 204 unq 0 iso 0 dist 6.62013 7.24163 7.32294 11.513 5.86489 8.51516 numMergedOcc 0
39 mol 220 unq 0 iso 0 dist 7.58118 5.1021 6.59716 6.21273 7.11498 9.23153 numMergedOcc 0
40 mol 227 unq 0 iso 0 dist 6.65275 5.841 5.41321 14.1483 10.7656 9.34734 numMergedOcc 0
41 mol 227 unq 1 iso 0 dist 6.65275 5.841 5.41321 12.9898 10.9607 7.22101 numMergedOcc 0
42 mol 227 unq 2 iso 0 dist 6.65275 5.841 5.41321 14.1659 9.72615 8.65997 numMergedOcc 0
43 mol 227 unq 3 iso 0 dist 6.65275 5.841 5.41321 9.8971 5.10635 7.56888 numMergedOcc 0
44 mol 227 unq 4 iso 0 dist 6.65275 5.841 5.41321 7.71761 6.48027 7.55216 numMergedOcc 0
45 mol 227 unq 5 iso 0 dist 9.90065 9.69354 7.43071 15.2006 6.00424 9.34734 numMergedOcc 0
46 mol 227 unq 6 iso 0 dist 9.90065 9.69354 7.43071 13.7795 6.35849 7.22101 numMergedOcc 0
47 mol 227 unq 7 iso 0 dist 9.90065 9.69354 7.43071 17.4849 10.204 8.65997 numMergedOcc 0
48 mol 227 unq 8 iso 0 dist 9.90065 9.69354 7.43071 14.5325 9.76735 7.56888 numMergedOcc 0
49 mol 227 unq 9 iso 0 dist 9.90065 9.69354 7.43071 11.3124 9.32448 7.55216 numMergedOcc 0
50 mol 227 unq 10 iso 0 dist 9.90065 7.00512 6.02296 13.7795 6.35849 7.09863 numMergedOcc 0
51 mol 239 unq 0 iso 0 dist 6.47859 9.78463 9.01021 13.742 10.0842 7.00034 numMergedOcc 0
52 mol 248 unq 0 iso 0 dist 8.80866 5.44123 7.16525 11.505 4.30004 9.56569 numMergedOcc 0
53 mol 273 unq 0 iso 0 dist 8.16005 6.69098 8.49177 13.6003 9.25493 9.01049 numMergedOcc 0
54 mol 292 unq 0 iso 0 dist 6.68183 5.81799 7.07965 13.4688 10.8848 8.2734 numMergedOcc 0
