0 mol 1 unq 0 iso 0 dist 8.26708 5.92202 6.09918 6.27888 7.27254 4.50502 12.8272 12.7486 10.488 6.86701 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 6.09918 5.92202 8.26708 4.50502 7.27254 6.27888 10.488 12.7486 12.8272 6.86701 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 5.72491 12.2041 7.88043 7.12508 8.15894 12.8323 10.5461 10.2446 8.41585 9.87885 numMergedOcc 0
3 mol 7 unq 0 iso 1 dist 7.88043 12.2041 5.72491 12.8323 8.15894 7.12508 8.41585 10.2446 10.5461 9.87885 numMergedOcc 0
4 mol 7 unq 1 iso 0 dist 5.72491 12.2041 7.88043 7.12508 8.15894 12.8323 7.10621 5.44992 12.2333 6.1206 numMergedOcc 0
5 mol 7 unq 1 iso 1 dist 7.88043 12.2041 5.72491 12.8323 8.15894 7.12508 12.2333 5.44992 7.10621 6.1206 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 9.93832 8.13395 8.60739 10.8828 7.24352 5.07458 10.5523 5.64171 5.73819 6.66407 numMergedOcc 0
7 mol 43 unq 0 iso 1 dist 8.60739 8.13395 9.93832 5.07458 7.24352 10.8828 5.73819 5.64171 10.5523 6.66407 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 9.81831 6.30447 9.12858 9.34182 5.71763 12.0103 17.8114 9.57225 18.1813 9.22631 numMergedOcc 0
9 mol 93 unq 0 iso 1 dist 9.12858 6.30447 9.81831 12.0103 5.71763 9.34182 18.1813 9.57225 17.8114 9.22631 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 9.81831 9.91939 9.4523 9.34182 5.71763 12.9351 17.8114 9.57225 18.6831 9.22631 numMergedOcc 0
11 mol 93 unq 1 iso 1 dist 9.4523 9.91939 9.81831 12.9351 5.71763 9.34182 18.6831 9.57225 17.8114 9.22631 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 9.12858 7.66728 9.4523 12.0103 5.71763 12.9351 18.1813 9.57225 18.6831 9.22631 numMergedOcc 0
13 mol 93 unq 1 iso 1 dist 9.4523 7.66728 9.12858 12.9351 5.71763 12.0103 18.6831 9.57225 18.1813 9.22631 numMergedOcc 0
14 mol 112 unq 0 iso 0 dist 6.43433 5.0812 9.92283 6.95317 4.99604 10.9279 11.5121 10.1567 16.5915 9.02706 numMergedOcc 0
15 mol 112 unq 0 iso 1 dist 9.92283 5.0812 6.43433 10.9279 4.99604 6.95317 16.5915 10.1567 11.5121 9.02706 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 6.43433 5.0812 9.92283 6.95317 4.99604 10.9279 7.71338 8.56707 12.603 8.47988 numMergedOcc 0
17 mol 112 unq 1 iso 1 dist 9.92283 5.0812 6.43433 10.9279 4.99604 6.95317 12.603 8.56707 7.71338 8.47988 numMergedOcc 0
18 mol 112 unq 2 iso 0 dist 6.43433 5.0812 9.92283 6.75738 7.44041 5.43385 11.8312 12.6695 11.438 9.05166 numMergedOcc 0
19 mol 112 unq 2 iso 1 dist 9.92283 5.0812 6.43433 5.43385 7.44041 6.75738 11.438 12.6695 11.8312 9.05166 numMergedOcc 0
20 mol 134 unq 0 iso 0 dist 7.36779 5.62899 8.20836 14.2036 8.48313 16.4114 12.9594 6.02179 14.0375 5.35237 numMergedOcc 0
21 mol 134 unq 0 iso 1 dist 8.20836 5.62899 7.36779 16.4114 8.48313 14.2036 14.0375 6.02179 12.9594 5.35237 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 7.36779 5.62899 8.20836 14.2036 8.48313 16.4114 18.1911 10.9332 17.9288 7.99477 numMergedOcc 0
23 mol 134 unq 1 iso 1 dist 8.20836 5.62899 7.36779 16.4114 8.48313 14.2036 17.9288 10.9332 18.1911 7.99477 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 7.36779 5.62899 8.20836 10.092 6.99345 12.8086 13.9286 11.7434 15.281 6.42772 numMergedOcc 0
25 mol 134 unq 2 iso 1 dist 8.20836 5.62899 7.36779 12.8086 6.99345 10.092 15.281 11.7434 13.9286 6.42772 numMergedOcc 0
26 mol 134 unq 3 iso 0 dist 7.36779 5.62899 8.20836 10.092 6.99345 12.8086 11.3835 5.12325 9.86662 9.1998 numMergedOcc 0
27 mol 134 unq 3 iso 1 dist 8.20836 5.62899 7.36779 12.8086 6.99345 10.092 9.86662 5.12325 11.3835 9.1998 numMergedOcc 0
28 mol 134 unq 4 iso 0 dist 7.36779 5.62899 8.20836 10.092 6.99345 12.8086 12.9594 6.02179 14.0375 8.70621 numMergedOcc 0
29 mol 134 unq 4 iso 1 dist 8.20836 5.62899 7.36779 12.8086 6.99345 10.092 14.0375 6.02179 12.9594 8.70621 numMergedOcc 0
30 mol 134 unq 5 iso 0 dist 7.36779 5.62899 8.20836 4.46337 5.11043 7.41373 11.7385 9.4027 8.94367 9.33094 numMergedOcc 0
31 mol 134 unq 5 iso 1 dist 8.20836 5.62899 7.36779 7.41373 5.11043 4.46337 8.94367 9.4027 11.7385 9.33094 numMergedOcc 0
32 mol 134 unq 6 iso 0 dist 7.36779 5.62899 8.20836 4.46337 5.11043 7.41373 11.3835 5.12325 9.86662 8.69531 numMergedOcc 0
33 mol 134 unq 6 iso 1 dist 8.20836 5.62899 7.36779 7.41373 5.11043 4.46337 9.86662 5.12325 11.3835 8.69531 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 9.77552 7.65448 8.28642 12.4535 6.92726 9.84297 17.7925 9.22869 14.2459 6.41689 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 8.28642 7.65448 9.77552 9.84297 6.92726 12.4535 14.2459 9.22869 17.7925 6.41689 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 9.77552 7.65448 8.28642 12.4535 6.92726 9.84297 15.4635 5.71767 12.6535 9.07758 numMergedOcc 0
37 mol 152 unq 1 iso 1 dist 8.28642 7.65448 9.77552 9.84297 6.92726 12.4535 12.6535 5.71767 15.4635 9.07758 numMergedOcc 0
38 mol 222 unq 0 iso 0 dist 9.2581 9.57159 9.62632 9.01393 7.97027 13.3586 12.6531 6.42798 11.8674 6.74196 numMergedOcc 0
39 mol 222 unq 0 iso 1 dist 9.62632 9.57159 9.2581 13.3586 7.97027 9.01393 11.8674 6.42798 12.6531 6.74196 numMergedOcc 0
40 mol 222 unq 1 iso 0 dist 9.2581 9.57159 9.62632 5.64455 4.9876 5.9478 12.6531 6.42798 11.8674 8.36842 numMergedOcc 0
41 mol 222 unq 1 iso 1 dist 9.62632 9.57159 9.2581 5.9478 4.9876 5.64455 11.8674 6.42798 12.6531 8.36842 numMergedOcc 0
42 mol 222 unq 2 iso 0 dist 9.2581 10.5806 7.862 9.01393 7.97027 8.84507 12.6531 6.42798 6.00706 6.74196 numMergedOcc 0
43 mol 222 unq 2 iso 1 dist 7.862 10.5806 9.2581 8.84507 7.97027 9.01393 6.00706 6.42798 12.6531 6.74196 numMergedOcc 0
44 mol 222 unq 3 iso 0 dist 9.2581 10.5806 7.862 5.64455 4.9876 6.02502 12.6531 6.42798 6.00706 8.36842 numMergedOcc 0
45 mol 222 unq 3 iso 1 dist 7.862 10.5806 9.2581 6.02502 4.9876 5.64455 6.00706 6.42798 12.6531 8.36842 numMergedOcc 0
46 mol 222 unq 2 iso 0 dist 9.62632 6.9154 7.862 13.3586 7.97027 8.84507 11.8674 6.42798 6.00706 6.74196 numMergedOcc 0
47 mol 222 unq 2 iso 1 dist 7.862 6.9154 9.62632 8.84507 7.97027 13.3586 6.00706 6.42798 11.8674 6.74196 numMergedOcc 0
48 mol 222 unq 3 iso 0 dist 9.62632 6.9154 7.862 5.9478 4.9876 6.02502 11.8674 6.42798 6.00706 8.36842 numMergedOcc 0
49 mol 222 unq 3 iso 1 dist 7.862 6.9154 9.62632 6.02502 4.9876 5.9478 6.00706 6.42798 11.8674 8.36842 numMergedOcc 0
50 mol 252 unq 0 iso 0 dist 6.53679 6.0987 7.50201 5.6214 5.9974 7.40852 10.5136 7.63376 7.19638 7.15764 numMergedOcc 0
51 mol 252 unq 0 iso 1 dist 7.50201 6.0987 6.53679 7.40852 5.9974 5.6214 7.19638 7.63376 10.5136 7.15764 numMergedOcc 0
52 mol 264 unq 0 iso 0 dist 7.52281 8.96144 6.42588 5.71153 6.02757 6.56539 10.4298 6.84156 12.864 9.19754 numMergedOcc 0
53 mol 264 unq 0 iso 1 dist 6.42588 8.96144 7.52281 6.56539 6.02757 5.71153 12.864 6.84156 10.4298 9.19754 numMergedOcc 0
54 mol 264 unq 1 iso 0 dist 7.52281 8.96144 6.42588 5.71153 6.02757 6.56539 9.90113 9.37297 13.9815 8.29262 numMergedOcc 0
55 mol 264 unq 1 iso 1 dist 6.42588 8.96144 7.52281 6.56539 6.02757 5.71153 13.9815 9.37297 9.90113 8.29262 numMergedOcc 0
56 mol 264 unq 2 iso 0 dist 6.04162 4.92077 6.14323 11.4167 7.14086 13.2035 10.4298 4.48907 9.90113 5.90924 numMergedOcc 0
57 mol 264 unq 2 iso 1 dist 6.14323 4.92077 6.04162 13.2035 7.14086 11.4167 9.90113 4.48907 10.4298 5.90924 numMergedOcc 0
58 mol 264 unq 3 iso 0 dist 6.04162 4.92077 6.14323 11.4167 7.14086 13.2035 14.2152 9.09085 14.5869 5.90058 numMergedOcc 0
59 mol 264 unq 3 iso 1 dist 6.14323 4.92077 6.04162 13.2035 7.14086 11.4167 14.5869 9.09085 14.2152 5.90058 numMergedOcc 0
60 mol 264 unq 4 iso 0 dist 6.04162 4.92077 6.14323 11.4167 7.14086 13.2035 12.864 10.1591 13.9815 9.58916 numMergedOcc 0
61 mol 264 unq 4 iso 1 dist 6.14323 4.92077 6.04162 13.2035 7.14086 11.4167 13.9815 10.1591 12.864 9.58916 numMergedOcc 0
