0 mol 4 unq 0 iso 0 dist 8.39239 5.30385 7.27909 9.77024 5.61191 10.3461 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 8.39239 9.77024 5.61191 5.30385 7.27909 10.3461 numMergedOcc 0
2 mol 11 unq 0 iso 0 dist 7.93279 8.36387 11.9446 9.99647 7.51068 16.0433 numMergedOcc 0
3 mol 11 unq 0 iso 1 dist 7.93279 9.99647 7.51068 8.36387 11.9446 16.0433 numMergedOcc 0
4 mol 41 unq 0 iso 0 dist 7.89705 9.18836 6.32189 6.07294 4.85777 10.1421 numMergedOcc 0
5 mol 41 unq 0 iso 1 dist 7.89705 6.07294 4.85777 9.18836 6.32189 10.1421 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.44442 6.8073 9.59823 5.60663 7.89394 9.17835 numMergedOcc 0
7 mol 48 unq 0 iso 1 dist 7.44442 5.60663 7.89394 6.8073 9.59823 9.17835 numMergedOcc 0
8 mol 65 unq 0 iso 0 dist 5.12044 8.54555 7.18126 7.0386 6.00418 5.56801 numMergedOcc 0
9 mol 65 unq 0 iso 1 dist 5.12044 7.0386 6.00418 8.54555 7.18126 5.56801 numMergedOcc 0
10 mol 67 unq 0 iso 0 dist 6.0478 9.42982 5.89161 8.17929 12.4415 12.7806 numMergedOcc 0
11 mol 67 unq 0 iso 1 dist 6.0478 8.17929 12.4415 9.42982 5.89161 12.7806 numMergedOcc 0
12 mol 67 unq 1 iso 0 dist 6.0478 9.42982 5.89161 5.63802 10.8112 11.721 numMergedOcc 0
13 mol 67 unq 1 iso 1 dist 6.0478 5.63802 10.8112 9.42982 5.89161 11.721 numMergedOcc 0
14 mol 67 unq 1 iso 0 dist 6.0478 8.17929 12.4415 5.63802 10.8112 4.05717 numMergedOcc 0
15 mol 67 unq 1 iso 1 dist 6.0478 5.63802 10.8112 8.17929 12.4415 4.05717 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 6.07578 7.99438 10.3996 6.64915 11.2341 4.44577 numMergedOcc 0
17 mol 79 unq 0 iso 1 dist 6.07578 6.64915 11.2341 7.99438 10.3996 4.44577 numMergedOcc 0
18 mol 79 unq 1 iso 0 dist 9.56449 7.99438 6.74663 6.64915 10.4197 4.44577 numMergedOcc 0
19 mol 79 unq 1 iso 1 dist 9.56449 6.64915 10.4197 7.99438 6.74663 4.44577 numMergedOcc 0
20 mol 92 unq 0 iso 0 dist 7.36744 5.74593 5.32989 8.02376 5.84351 6.3583 numMergedOcc 0
21 mol 92 unq 0 iso 1 dist 7.36744 8.02376 5.84351 5.74593 5.32989 6.3583 numMergedOcc 0
22 mol 92 unq 1 iso 0 dist 9.08316 6.15654 5.43086 7.89887 6.04936 6.36037 numMergedOcc 0
23 mol 92 unq 1 iso 1 dist 9.08316 7.89887 6.04936 6.15654 5.43086 6.36037 numMergedOcc 0
24 mol 128 unq 0 iso 0 dist 7.50206 6.51968 8.06011 7.61237 5.19611 10.0457 numMergedOcc 0
25 mol 128 unq 0 iso 1 dist 7.50206 7.61237 5.19611 6.51968 8.06011 10.0457 numMergedOcc 0
26 mol 128 unq 1 iso 0 dist 6.4028 6.51968 6.42135 7.61237 4.68499 10.0457 numMergedOcc 0
27 mol 128 unq 1 iso 1 dist 6.4028 7.61237 4.68499 6.51968 6.42135 10.0457 numMergedOcc 0
28 mol 171 unq 0 iso 0 dist 6.81707 6.4751 9.18337 5.75085 8.83874 3.98338 numMergedOcc 0
29 mol 171 unq 0 iso 1 dist 6.81707 5.75085 8.83874 6.4751 9.18337 3.98338 numMergedOcc 0
30 mol 194 unq 0 iso 0 dist 8.63008 8.09776 7.50057 5.4455 5.92931 9.4131 numMergedOcc 0
31 mol 194 unq 0 iso 1 dist 8.63008 5.4455 5.92931 8.09776 7.50057 9.4131 numMergedOcc 0
32 mol 239 unq 0 iso 0 dist 9.36997 6.91534 12.5953 8.67704 10.9512 5.55889 numMergedOcc 0
33 mol 239 unq 0 iso 1 dist 9.36997 8.67704 10.9512 6.91534 12.5953 5.55889 numMergedOcc 0
34 mol 239 unq 1 iso 0 dist 9.97907 6.91534 11.4843 8.67704 7.06824 5.55889 numMergedOcc 0
35 mol 239 unq 1 iso 1 dist 9.97907 8.67704 7.06824 6.91534 11.4843 5.55889 numMergedOcc 0
36 mol 239 unq 2 iso 0 dist 8.83751 6.91534 13.3917 8.67704 14.4176 5.55889 numMergedOcc 0
37 mol 239 unq 2 iso 1 dist 8.83751 8.67704 14.4176 6.91534 13.3917 5.55889 numMergedOcc 0
38 mol 239 unq 3 iso 0 dist 8.77688 6.91534 9.38172 8.67704 9.33091 5.55889 numMergedOcc 0
39 mol 239 unq 3 iso 1 dist 8.77688 8.67704 9.33091 6.91534 9.38172 5.55889 numMergedOcc 0
40 mol 279 unq 0 iso 0 dist 8.84798 5.94449 5.89415 8.61452 14.0491 9.31504 numMergedOcc 0
41 mol 279 unq 0 iso 1 dist 8.84798 8.61452 14.0491 5.94449 5.89415 9.31504 numMergedOcc 0
42 mol 279 unq 1 iso 0 dist 8.84798 5.94449 5.89415 7.66302 15.1378 13.3172 numMergedOcc 0
43 mol 279 unq 1 iso 1 dist 8.84798 7.66302 15.1378 5.94449 5.89415 13.3172 numMergedOcc 0
44 mol 279 unq 1 iso 0 dist 8.84798 8.61452 14.0491 7.66302 15.1378 11.1423 numMergedOcc 0
45 mol 279 unq 1 iso 1 dist 8.84798 7.66302 15.1378 8.61452 14.0491 11.1423 numMergedOcc 0
