0 mol 18 unq 0 iso 0 dist 7.60512 5.59658 4.76781 3.84273 10.1606 8.11835 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.73647 5.9372 13.9367 11.6859 20.8968 9.58192 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 7.26334 5.9372 5.95865 11.6859 13.849 9.58192 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.78532 5.9372 3.33439 11.6859 11.8224 9.58192 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.19899 6.93597 5.95865 11.076 13.849 9.58192 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.49709 6.93597 3.33439 11.076 11.8224 9.58192 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 9.36924 9.82851 15.8256 5.29055 13.4718 8.97754 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 6.7142 9.11311 7.78809 4.76998 10.2011 8.97754 numMergedOcc 0
8 mol 48 unq 0 iso 0 dist 6.07052 5.82264 6.77378 5.50677 11.2869 7.7927 numMergedOcc 0
9 mol 48 unq 1 iso 0 dist 6.07052 5.82264 6.77378 3.90503 8.70763 6.17378 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 7.58739 6.41008 8.98585 5.45005 10.4875 9.10675 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 9.01564 6.41008 10.5853 5.45005 14.1301 9.10675 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 7.11065 6.41008 5.11422 5.45005 11.3747 9.10675 numMergedOcc 0
13 mol 79 unq 0 iso 0 dist 7.43127 6.86517 5.9297 3.99035 8.64934 9.04293 numMergedOcc 0
14 mol 79 unq 1 iso 0 dist 7.43127 6.86517 5.9297 4.53016 8.7515 4.78333 numMergedOcc 0
15 mol 79 unq 2 iso 0 dist 9.77084 7.56495 11.5615 9.78235 17.8133 7.92114 numMergedOcc 0
16 mol 79 unq 3 iso 0 dist 9.77084 7.56495 11.5615 6.06691 15.0792 8.18375 numMergedOcc 0
17 mol 79 unq 4 iso 0 dist 9.09458 8.33791 11.4347 6.69352 15.0792 9.04293 numMergedOcc 0
18 mol 79 unq 5 iso 0 dist 9.09458 8.33791 11.4347 6.0749 12.4602 4.78333 numMergedOcc 0
19 mol 79 unq 6 iso 0 dist 9.09458 7.38548 10.0358 6.0749 12.4602 4.74254 numMergedOcc 0
20 mol 79 unq 7 iso 0 dist 6.5551 7.56495 10.2908 9.78235 13.9258 7.92114 numMergedOcc 0
21 mol 79 unq 8 iso 0 dist 6.5551 7.56495 10.2908 6.06691 12.4602 8.18375 numMergedOcc 0
22 mol 83 unq 0 iso 0 dist 9.95355 8.99451 6.187 10.5584 11.2312 5.35861 numMergedOcc 0
23 mol 83 unq 1 iso 0 dist 9.69913 8.99451 3.31218 10.5584 8.66111 5.35861 numMergedOcc 0
24 mol 107 unq 0 iso 0 dist 5.33764 7.89505 3.40943 3.79393 6.11492 9.09262 numMergedOcc 0
25 mol 141 unq 0 iso 0 dist 9.27009 8.40695 3.37046 11.0215 10.1173 7.56563 numMergedOcc 0
26 mol 158 unq 0 iso 0 dist 9.97968 9.45696 11.6769 9.81176 15.987 6.77583 numMergedOcc 0
27 mol 169 unq 0 iso 0 dist 6.0859 7.85698 12.6492 7.40692 11.4671 7.65903 numMergedOcc 0
28 mol 169 unq 1 iso 0 dist 9.15283 5.41121 13.5169 3.95773 10.2894 4.11374 numMergedOcc 0
29 mol 169 unq 2 iso 0 dist 9.15283 6.35799 12.6492 9.68109 11.4671 7.65903 numMergedOcc 0
30 mol 169 unq 3 iso 0 dist 6.05009 7.85698 13.7198 7.40692 11.117 7.65903 numMergedOcc 0
31 mol 184 unq 0 iso 0 dist 7.81263 7.02762 3.74437 4.67256 4.61596 5.23187 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 9.45907 8.72743 3.60793 6.18065 11.5162 8.92135 numMergedOcc 0
33 mol 186 unq 1 iso 0 dist 8.92115 9.31569 11.6544 10.6999 16.5179 8.92135 numMergedOcc 0
34 mol 186 unq 2 iso 0 dist 6.56416 7.37629 4.97041 8.66149 10.4988 9.17458 numMergedOcc 0
35 mol 186 unq 3 iso 0 dist 6.56416 7.37629 4.97041 3.87169 5.67168 6.94594 numMergedOcc 0
36 mol 186 unq 4 iso 0 dist 6.56416 5.68985 6.50779 8.66149 10.4988 7.36794 numMergedOcc 0
37 mol 186 unq 5 iso 0 dist 6.56416 5.68985 6.50779 3.87169 5.67168 5.81881 numMergedOcc 0
38 mol 186 unq 6 iso 0 dist 6.88127 7.37629 4.75583 8.66149 9.98715 9.17458 numMergedOcc 0
39 mol 186 unq 7 iso 0 dist 6.88127 7.37629 4.75583 3.87169 8.39342 6.94594 numMergedOcc 0
40 mol 186 unq 8 iso 0 dist 6.88127 5.68985 3.11607 8.66149 9.98715 7.36794 numMergedOcc 0
41 mol 186 unq 9 iso 0 dist 6.88127 5.68985 3.11607 3.87169 8.39342 5.81881 numMergedOcc 0
42 mol 205 unq 0 iso 0 dist 9.03328 7.24614 3.41783 6.9508 10.751 7.4185 numMergedOcc 0
43 mol 214 unq 0 iso 0 dist 5.31416 5.05626 3.14057 3.94038 8.25329 8.49349 numMergedOcc 0
44 mol 214 unq 1 iso 0 dist 5.31416 8.41013 8.88633 3.94038 8.25329 6.50654 numMergedOcc 0
45 mol 214 unq 2 iso 0 dist 5.44533 5.05626 7.87816 3.94038 4.85332 8.49349 numMergedOcc 0
46 mol 214 unq 3 iso 0 dist 5.44533 8.41013 3.64285 3.94038 4.85332 6.50654 numMergedOcc 0
