0 mol 38 unq 0 iso 0 dist 7.17698 4.74069 3.50961 5.09927 8.50003 7.00717 numMergedOcc 0
1 mol 38 unq 1 iso 0 dist 4.74069 7.17698 3.50961 5.09927 7.00717 8.50003 numMergedOcc 0
2 mol 56 unq 0 iso 0 dist 6.34748 8.25594 11.1062 5.58299 6.51117 12.3896 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 8.23073 9.11547 10.3056 6.84485 4.3439 11.5632 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 9.68222 8.28321 10.7388 8.41816 7.91251 14.761 numMergedOcc 0
5 mol 107 unq 1 iso 0 dist 9.68222 8.28321 10.7388 15.3177 9.09262 15.0603 numMergedOcc 0
6 mol 107 unq 2 iso 0 dist 8.28321 9.68222 10.7388 4.94251 9.54492 12.9489 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 9.17216 9.44172 3.55572 16.3297 8.60651 11.544 numMergedOcc 0
8 mol 192 unq 0 iso 0 dist 5.08603 9.30889 9.55438 5.27339 8.23162 14.2821 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 8.44407 6.0155 5.97842 10.4614 9.59928 7.70062 numMergedOcc 0
10 mol 214 unq 1 iso 0 dist 8.44407 8.89981 16.136 10.4614 9.59928 18.2955 numMergedOcc 0
11 mol 214 unq 2 iso 0 dist 6.0155 8.44407 5.97842 10.4614 7.70062 9.59928 numMergedOcc 0
12 mol 214 unq 3 iso 0 dist 6.0155 8.44407 5.97842 9.84398 7.66702 11.1063 numMergedOcc 0
13 mol 214 unq 4 iso 0 dist 6.0155 8.89981 12.6404 10.4614 7.70062 18.2955 numMergedOcc 0
14 mol 214 unq 5 iso 0 dist 6.0155 8.89981 12.6404 9.84398 7.66702 16.7795 numMergedOcc 0
15 mol 214 unq 6 iso 0 dist 8.89981 8.44407 16.136 13.9172 8.7434 22.3344 numMergedOcc 0
16 mol 214 unq 7 iso 0 dist 8.89981 6.0155 12.6404 13.9172 8.7434 18.6717 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 8.94981 5.90986 8.05944 10.8002 8.74463 13.862 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 8.94981 7.50697 13.7858 10.8002 8.74463 15.4089 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 8.45524 9.79769 5.18071 8.33955 5.53492 8.7194 numMergedOcc 0
20 mol 272 unq 1 iso 0 dist 8.45524 9.66055 9.5745 8.33955 5.53492 13.6866 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 6.24134 5.49829 8.58145 4.57431 7.73438 10.0463 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 9.24101 9.53621 5.09813 9.41407 9.56933 13.6186 numMergedOcc 0
