0 mol 15 unq 0 iso 0 dist 6.61158 7.63656 8.21493 8.72187 5.90976 8.38064 12.2588 7.12903 9.03536 9.97507 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 6.61158 12.2588 7.12903 8.72187 5.90976 9.97507 7.63656 8.21493 9.03536 8.38064 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 9.05346 4.78943 7.03948 6.36377 6.2983 5.05803 5.48395 5.47769 6.92781 6.31718 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 9.05346 5.48395 5.47769 6.36377 6.2983 6.31718 4.78943 7.03948 6.92781 5.05803 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 9.05346 5.48395 5.47769 12.9591 5.94084 7.63133 10.1011 6.58035 5.32694 5.46498 numMergedOcc 0
5 mol 16 unq 3 iso 0 dist 9.05346 5.48395 5.47769 12.9591 5.94084 7.63133 14.8742 12.1189 10.4155 8.71745 numMergedOcc 0
6 mol 16 unq 4 iso 0 dist 9.05346 10.1011 6.58035 12.9591 5.94084 5.46498 5.48395 5.47769 5.32694 7.63133 numMergedOcc 0
7 mol 16 unq 5 iso 0 dist 9.05346 10.1011 6.58035 12.9591 5.94084 5.46498 14.8742 12.1189 5.74188 8.71745 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 8.68726 10.8906 8.24062 10.7681 5.3525 7.71095 10.3144 10.6318 10.0246 6.85766 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.57958 4.71849 5.81965 11.0291 6.99832 7.4729 13.6329 9.70512 8.95922 6.82344 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.57958 13.6329 9.70512 11.0291 6.99832 6.82344 4.71849 5.81965 8.95922 7.4729 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 5.58063 5.24961 7.64585 12.5192 10.2377 9.33865 11.8122 12.2309 7.69052 5.83991 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 5.58063 5.24961 7.64585 10.8398 10.8939 6.11741 11.8122 12.2309 7.69052 7.88312 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 9.58171 10.4485 6.62561 6.90827 4.91401 7.90328 5.27151 7.63616 7.22206 7.83136 numMergedOcc 0
14 mol 117 unq 1 iso 0 dist 9.58171 10.4485 6.62561 6.90827 4.91401 7.90328 4.45276 10.6107 9.3584 7.0603 numMergedOcc 0
15 mol 117 unq 2 iso 0 dist 9.58171 5.27151 7.63616 6.90827 4.91401 7.83136 10.4485 6.62561 7.22206 7.90328 numMergedOcc 0
16 mol 117 unq 3 iso 0 dist 9.58171 5.27151 7.63616 6.90827 4.91401 7.83136 4.45276 10.6107 7.21564 7.0603 numMergedOcc 0
17 mol 131 unq 0 iso 0 dist 9.90096 4.29914 8.6243 6.31125 6.19596 7.12972 5.6098 12.5969 5.55373 8.40312 numMergedOcc 0
18 mol 131 unq 1 iso 0 dist 9.90096 4.29914 8.6243 6.31125 6.19596 7.12972 5.59449 6.91348 6.63273 6.85062 numMergedOcc 0
19 mol 131 unq 2 iso 0 dist 9.90096 5.59449 6.91348 6.31125 6.19596 6.85062 5.6098 12.5969 10.7062 8.40312 numMergedOcc 0
20 mol 131 unq 3 iso 0 dist 9.90096 5.59449 6.91348 6.31125 6.19596 6.85062 4.29914 8.6243 6.63273 7.12972 numMergedOcc 0
21 mol 155 unq 0 iso 0 dist 9.16944 5.01118 9.17284 10.6879 6.3437 7.46303 12.5957 12.2465 7.66392 6.43582 numMergedOcc 0
22 mol 155 unq 1 iso 0 dist 7.50392 4.94973 9.38946 11.1867 12.8482 6.43582 11.7329 15.9495 7.66392 7.46303 numMergedOcc 0
23 mol 155 unq 2 iso 0 dist 8.02593 9.80448 7.36102 12.6683 8.27726 6.43582 11.374 12.1081 7.66392 7.46303 numMergedOcc 0
24 mol 155 unq 3 iso 0 dist 8.77391 4.94973 7.36102 11.1867 8.27726 6.43582 11.7329 12.1081 7.66392 7.46303 numMergedOcc 0
25 mol 155 unq 4 iso 0 dist 7.62575 14.7279 9.86313 13.0657 5.86939 6.23493 10.4606 7.51198 5.71071 7.46303 numMergedOcc 0
26 mol 155 unq 5 iso 0 dist 7.62575 10.4606 7.51198 13.0657 5.86939 7.46303 14.7279 9.86313 5.71071 6.23493 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 8.45395 9.47799 6.94688 9.86845 6.25083 9.1374 17.6006 12.1309 13.2049 8.03334 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 8.45395 9.47799 6.94688 13.0329 5.86342 5.98885 19.5061 14.4632 10.1912 9.09537 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 9.15368 9.09989 6.94688 12.5284 6.25083 9.1374 19.7383 12.1309 13.2049 8.03334 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 9.15368 9.09989 6.94688 12.9014 5.86342 5.98885 19.2011 14.4632 10.1912 9.09537 numMergedOcc 0
31 mol 181 unq 4 iso 0 dist 9.20477 4.98009 6.94688 12.0593 6.25083 9.1374 17.6676 12.1309 13.2049 8.03334 numMergedOcc 0
32 mol 181 unq 5 iso 0 dist 9.20477 4.98009 6.94688 10.3248 5.86342 5.98885 14.4699 14.4632 10.1912 9.09537 numMergedOcc 0
33 mol 181 unq 6 iso 0 dist 5.41368 9.47799 6.71012 9.86845 4.77278 9.1374 17.6006 12.2058 13.2049 8.03334 numMergedOcc 0
34 mol 181 unq 7 iso 0 dist 5.41368 9.47799 6.71012 13.0329 9.14057 5.98885 19.5061 15.4777 10.1912 9.09537 numMergedOcc 0
35 mol 181 unq 8 iso 0 dist 7.96182 9.09989 6.71012 12.5284 4.77278 9.1374 19.7383 12.2058 13.2049 8.03334 numMergedOcc 0
36 mol 181 unq 9 iso 0 dist 7.96182 9.09989 6.71012 12.9014 9.14057 5.98885 19.2011 15.4777 10.1912 9.09537 numMergedOcc 0
37 mol 181 unq 10 iso 0 dist 7.90237 4.98009 6.71012 12.0593 4.77278 9.1374 17.6676 12.2058 13.2049 8.03334 numMergedOcc 0
38 mol 181 unq 11 iso 0 dist 7.90237 4.98009 6.71012 10.3248 9.14057 5.98885 14.4699 15.4777 10.1912 9.09537 numMergedOcc 0
39 mol 181 unq 12 iso 0 dist 6.17129 4.3158 4.93785 9.84952 6.7991 7.81386 12.9554 10.1232 8.85576 7.63312 numMergedOcc 0
40 mol 181 unq 13 iso 0 dist 5.83596 4.3226 4.93785 10.8641 6.7991 7.81386 10.2384 10.1232 8.85576 7.63312 numMergedOcc 0
41 mol 227 unq 0 iso 0 dist 8.42382 7.2593 9.62609 15 14.6185 8.65997 12.6144 17.0949 7.60506 9.34734 numMergedOcc 0
42 mol 227 unq 1 iso 0 dist 8.42382 7.2593 9.62609 15 14.6185 8.65997 12.3465 13.4493 5.22356 7.22101 numMergedOcc 0
43 mol 227 unq 2 iso 0 dist 8.42382 7.2593 9.62609 15 14.6185 8.65997 13.4354 16.5207 9.70012 7.56888 numMergedOcc 0
44 mol 227 unq 3 iso 0 dist 8.42382 7.2593 9.62609 15 14.6185 8.65997 17.6875 19.8174 12.9332 7.55216 numMergedOcc 0
45 mol 236 unq 0 iso 0 dist 6.98151 11.2013 7.17676 12.3675 11.8759 8.03456 4.15973 5.34718 7.28249 9.81562 numMergedOcc 0
46 mol 236 unq 1 iso 0 dist 6.98151 11.2013 7.17676 11.0771 11.3552 6.84306 4.15973 5.34718 7.28249 7.68742 numMergedOcc 0
47 mol 236 unq 2 iso 0 dist 6.98151 11.2013 7.17676 5.66569 6.04825 9.99038 4.15973 5.34718 7.28249 6.27581 numMergedOcc 0
48 mol 236 unq 3 iso 0 dist 6.98151 11.2013 7.17676 13.3367 6.40312 8.35971 16.4752 10.6445 7.43758 8.04248 numMergedOcc 0
49 mol 236 unq 4 iso 0 dist 6.98151 4.15973 5.34718 12.3675 11.8759 9.81562 11.2013 7.17676 7.28249 8.03456 numMergedOcc 0
50 mol 236 unq 5 iso 0 dist 6.98151 4.15973 5.34718 11.0771 11.3552 7.68742 11.2013 7.17676 7.28249 6.84306 numMergedOcc 0
51 mol 236 unq 6 iso 0 dist 6.98151 4.15973 5.34718 5.66569 6.04825 6.27581 11.2013 7.17676 7.28249 9.99038 numMergedOcc 0
52 mol 238 unq 0 iso 0 dist 9.94175 14.9782 6.55759 13.9196 10.4664 7.31233 17.3413 10.5202 5.34096 6.22714 numMergedOcc 0
53 mol 238 unq 1 iso 0 dist 8.81534 9.85437 6.55759 11.3074 10.4664 7.31233 9.08137 10.5202 5.34096 6.22714 numMergedOcc 0
54 mol 238 unq 2 iso 0 dist 9.46582 9.23693 7.67322 14.9617 12.6986 7.31233 10.42 12.1937 5.34096 6.22714 numMergedOcc 0
55 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 12.348 11.6195 7.88519 5.95833 10.9591 4.69778 8.13497 numMergedOcc 0
56 mol 282 unq 0 iso 0 dist 9.20119 12.5533 6.85028 15.5242 6.3384 8.04483 16.9233 10.4802 10.0156 8.76532 numMergedOcc 0
57 mol 282 unq 1 iso 0 dist 9.20119 12.5533 6.85028 15.5242 6.3384 8.04483 14.3567 7.32347 5.39891 6.33524 numMergedOcc 0
58 mol 282 unq 2 iso 0 dist 9.20119 14.3567 7.32347 15.5242 6.3384 6.33524 12.5533 6.85028 5.39891 8.04483 numMergedOcc 0
59 mol 282 unq 3 iso 0 dist 9.20119 14.3567 7.32347 15.5242 6.3384 6.33524 16.9233 10.4802 4.66602 8.76532 numMergedOcc 0
60 mol 282 unq 4 iso 0 dist 8.96997 4.64783 6.85028 11.3408 6.3384 8.04483 14.6346 10.4802 10.0156 8.76532 numMergedOcc 0
61 mol 282 unq 5 iso 0 dist 8.96997 4.64783 6.85028 11.3408 6.3384 8.04483 10.0286 7.32347 5.39891 6.33524 numMergedOcc 0
62 mol 282 unq 6 iso 0 dist 8.96997 10.0286 7.32347 11.3408 6.3384 6.33524 4.64783 6.85028 5.39891 8.04483 numMergedOcc 0
63 mol 282 unq 7 iso 0 dist 8.96997 10.0286 7.32347 11.3408 6.3384 6.33524 14.6346 10.4802 4.66602 8.76532 numMergedOcc 0
