0 mol 10 unq 0 iso 0 dist 6.68744 5.04413 6.77807 5.05883 8.7908 8.56896 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.28474 3.77979 4.64187 5.27955 4.78873 3.60218 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 9.52356 11.6608 7.16844 8.79328 4.46067 3.73834 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 8.82347 6.5455 8.71074 5.80177 7.7485 7.18877 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 7.88522 11.4291 8.61641 11.5102 7.61085 3.65203 numMergedOcc 0
5 mol 83 unq 1 iso 0 dist 9.55089 7.78693 5.35861 11.1698 7.50925 3.62753 numMergedOcc 0
6 mol 83 unq 2 iso 0 dist 9.55089 7.78693 5.35861 4.27327 6.96722 3.65203 numMergedOcc 0
7 mol 83 unq 3 iso 0 dist 7.22942 7.78693 8.61641 4.27327 7.61085 3.65203 numMergedOcc 0
8 mol 90 unq 0 iso 0 dist 9.47481 4.36779 7.62463 7.58344 5.24346 5.4118 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 9.82654 5.81344 7.54274 5.21959 6.55227 3.43966 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 7.93917 11.412 7.0961 10.6411 5.86767 6.06538 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 7.93917 11.412 7.0961 8.64743 5.28353 10.919 numMergedOcc 0
12 mol 168 unq 2 iso 0 dist 7.93917 14.5433 8.21227 10.6411 5.86767 9.99868 numMergedOcc 0
13 mol 168 unq 3 iso 0 dist 7.93917 14.5433 8.21227 8.64743 5.28353 6.91388 numMergedOcc 0
14 mol 168 unq 4 iso 0 dist 7.93917 4.20684 6.53038 10.6411 5.86767 10.7133 numMergedOcc 0
15 mol 168 unq 5 iso 0 dist 7.93917 4.20684 6.53038 8.64743 5.28353 6.65321 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 5.06194 6.79905 8.17928 4.25519 4.87942 4.79079 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 5.06194 6.79905 8.17928 6.35206 7.25595 3.60793 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 9.60788 9.85439 5.89939 13.5754 4.68722 9.23342 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 9.60788 9.85439 5.89939 13.2754 5.18325 10.3782 numMergedOcc 0
20 mol 194 unq 2 iso 0 dist 9.60788 4.87837 8.18853 13.5754 4.68722 11.7699 numMergedOcc 0
21 mol 194 unq 3 iso 0 dist 9.60788 4.87837 8.18853 13.2754 5.18325 13.0759 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 8.43724 7.50311 8.51564 13.0517 7.04263 8.22506 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 8.43724 7.50311 8.51564 5.75061 6.48099 3.68866 numMergedOcc 0
24 mol 260 unq 2 iso 0 dist 7.30584 13.2173 9.73217 13.4352 8.62655 15.6308 numMergedOcc 0
25 mol 260 unq 3 iso 0 dist 7.30584 9.97342 7.49606 13.4352 8.62655 7.35802 numMergedOcc 0
26 mol 260 unq 4 iso 0 dist 7.30584 6.15071 8.06377 13.4352 8.62655 10.4054 numMergedOcc 0
27 mol 287 unq 0 iso 0 dist 7.81225 8.31788 6.22311 4.01495 6.24487 5.96434 numMergedOcc 0
28 mol 288 unq 0 iso 0 dist 7.81225 8.31788 6.22311 4.01495 6.24487 5.96434 numMergedOcc 0
29 mol 289 unq 0 iso 0 dist 7.81225 8.31788 6.22311 4.01495 6.24487 5.96434 numMergedOcc 0
