0 mol 18 unq 0 iso 0 dist 8.95294 5.79834 7.19022 14.2239 8.80193 9.66486 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 7.19022 5.79834 8.95294 9.66486 8.80193 14.2239 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.03539 11.4603 8.50339 10.4631 7.22361 4.77336 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 8.50339 11.4603 9.03539 4.77336 7.22361 10.4631 numMergedOcc 0
4 mol 56 unq 0 iso 0 dist 9.33168 4.36985 7.93388 3.85135 5.84875 4.936 numMergedOcc 0
5 mol 56 unq 0 iso 1 dist 7.93388 4.36985 9.33168 4.936 5.84875 3.85135 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 6.87582 10.1565 8.77794 5.67542 5.60389 5.16645 numMergedOcc 0
7 mol 115 unq 0 iso 1 dist 8.77794 10.1565 6.87582 5.16645 5.60389 5.67542 numMergedOcc 0
8 mol 156 unq 0 iso 0 dist 9.40225 6.96876 7.49255 5.02458 5.81122 3.98813 numMergedOcc 0
9 mol 156 unq 0 iso 1 dist 7.49255 6.96876 9.40225 3.98813 5.81122 5.02458 numMergedOcc 0
10 mol 156 unq 1 iso 0 dist 9.40225 9.31229 4.94012 5.02458 5.81122 6.29145 numMergedOcc 0
11 mol 156 unq 1 iso 1 dist 4.94012 9.31229 9.40225 6.29145 5.81122 5.02458 numMergedOcc 0
12 mol 156 unq 1 iso 0 dist 7.49255 4.97756 4.94012 3.98813 5.81122 6.29145 numMergedOcc 0
13 mol 156 unq 1 iso 1 dist 4.94012 4.97756 7.49255 6.29145 5.81122 3.98813 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 8.61217 10.6001 9.56587 9.80942 9.33696 17.4486 numMergedOcc 0
15 mol 188 unq 0 iso 1 dist 9.56587 10.6001 8.61217 17.4486 9.33696 9.80942 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 9.75763 9.89078 6.52001 6.45756 9.82588 5.65165 numMergedOcc 0
17 mol 195 unq 0 iso 1 dist 6.52001 9.89078 9.75763 5.65165 9.82588 6.45756 numMergedOcc 0
18 mol 224 unq 0 iso 0 dist 6.04427 10.7306 6.33797 11.3148 9.22384 6.94242 numMergedOcc 0
19 mol 224 unq 0 iso 1 dist 6.33797 10.7306 6.04427 6.94242 9.22384 11.3148 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 6.04427 10.7306 6.33797 12.3328 8.08737 5.76647 numMergedOcc 0
21 mol 224 unq 1 iso 1 dist 6.33797 10.7306 6.04427 5.76647 8.08737 12.3328 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 6.37335 11.4487 8.66693 7.46856 7.17337 5.53537 numMergedOcc 0
23 mol 232 unq 0 iso 1 dist 8.66693 11.4487 6.37335 5.53537 7.17337 7.46856 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 9.83326 8.34445 6.19514 15.2051 8.09718 13.5391 numMergedOcc 0
25 mol 238 unq 0 iso 1 dist 6.19514 8.34445 9.83326 13.5391 8.09718 15.2051 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 9.83326 8.34445 6.19514 10.3525 6.73446 9.75263 numMergedOcc 0
27 mol 238 unq 1 iso 1 dist 6.19514 8.34445 9.83326 9.75263 6.73446 10.3525 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 9.10967 12.1109 7.83632 5.41296 7.02079 9.68993 numMergedOcc 0
29 mol 239 unq 0 iso 1 dist 7.83632 12.1109 9.10967 9.68993 7.02079 5.41296 numMergedOcc 0
30 mol 239 unq 1 iso 0 dist 9.10967 12.1109 7.83632 11.9194 5.88802 6.75792 numMergedOcc 0
31 mol 239 unq 1 iso 1 dist 7.83632 12.1109 9.10967 6.75792 5.88802 11.9194 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 9.418 9.5552 8.10823 4.34105 8.92185 11.2938 numMergedOcc 0
33 mol 259 unq 0 iso 1 dist 8.10823 9.5552 9.418 11.2938 8.92185 4.34105 numMergedOcc 0
34 mol 259 unq 1 iso 0 dist 8.84139 5.37654 9.26725 4.32336 7.7574 4.34105 numMergedOcc 0
35 mol 259 unq 1 iso 1 dist 9.26725 5.37654 8.84139 4.34105 7.7574 4.32336 numMergedOcc 0
36 mol 279 unq 0 iso 0 dist 6.10834 6.55493 8.24233 4.99186 9.24367 8.17282 numMergedOcc 0
37 mol 279 unq 0 iso 1 dist 8.24233 6.55493 6.10834 8.17282 9.24367 4.99186 numMergedOcc 0
38 mol 279 unq 1 iso 0 dist 6.10834 10.7055 8.50767 4.99186 9.24367 14.2536 numMergedOcc 0
39 mol 279 unq 1 iso 1 dist 8.50767 10.7055 6.10834 14.2536 9.24367 4.99186 numMergedOcc 0
40 mol 279 unq 1 iso 0 dist 8.24233 7.32436 8.50767 8.17282 9.24367 14.2536 numMergedOcc 0
41 mol 279 unq 1 iso 1 dist 8.50767 7.32436 8.24233 14.2536 9.24367 8.17282 numMergedOcc 0
