0 mol 10 unq 0 iso 0 dist 9.29504 4.82016 8.64111 15.356 7.93277 12.5645 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.29504 4.82016 8.64111 6.23393 8.88888 4.71849 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 9.05123 5.48991 6.35926 7.89733 8.83891 4.64441 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 8.204 8.92054 7.03537 4.5844 7.13565 6.02833 numMergedOcc 0
4 mol 33 unq 0 iso 0 dist 8.37901 10.4304 8.07619 7.11991 6.72365 3.85975 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 6.49343 13.0828 7.7106 3.97936 9.06612 14.0462 numMergedOcc 0
6 mol 63 unq 1 iso 0 dist 6.49343 13.0828 7.7106 10.507 6.04797 5.66383 numMergedOcc 0
7 mol 63 unq 2 iso 0 dist 6.49343 13.0828 7.7106 15.191 8.88058 4.5476 numMergedOcc 0
8 mol 63 unq 3 iso 0 dist 9.78739 7.15477 7.7106 11.1699 9.06612 14.0462 numMergedOcc 0
9 mol 63 unq 4 iso 0 dist 9.78739 7.15477 7.7106 5.32214 6.04797 5.66383 numMergedOcc 0
10 mol 63 unq 5 iso 0 dist 9.78739 7.15477 7.7106 11.3685 8.88058 4.5476 numMergedOcc 0
11 mol 64 unq 0 iso 0 dist 5.66803 8.45243 7.32896 7.91421 7.11238 12.7594 numMergedOcc 0
12 mol 64 unq 1 iso 0 dist 8.85416 15.3613 7.32896 5.48409 7.11238 12.7594 numMergedOcc 0
13 mol 73 unq 0 iso 0 dist 4.34694 12.136 9.40167 4.93697 7.47162 16.066 numMergedOcc 0
14 mol 170 unq 0 iso 0 dist 8.10386 8.64721 9.57082 11.6479 9.66676 14.1908 numMergedOcc 0
15 mol 195 unq 0 iso 0 dist 7.2833 5.44336 9.02695 4.79025 9.20541 9.93408 numMergedOcc 0
16 mol 195 unq 1 iso 0 dist 7.2833 5.44336 9.02695 6.01032 6.65077 4.3166 numMergedOcc 0
17 mol 195 unq 2 iso 0 dist 5.61326 10.5362 9.02695 7.83764 8.84149 6.04748 numMergedOcc 0
18 mol 210 unq 0 iso 0 dist 8.05949 7.35484 9.80817 10.8542 7.80421 15.9753 numMergedOcc 0
19 mol 210 unq 1 iso 0 dist 8.05949 7.35484 9.80817 14.6074 9.71107 17.8718 numMergedOcc 0
20 mol 210 unq 2 iso 0 dist 8.05949 7.35484 9.80817 13.6787 9.7449 16.1889 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 8.52996 4.1635 9.8349 4.89645 7.3963 7.37944 numMergedOcc 0
22 mol 226 unq 1 iso 0 dist 8.52996 9.6805 6.72708 4.89645 7.3963 6.30585 numMergedOcc 0
23 mol 226 unq 2 iso 0 dist 8.52996 6.06315 8.01046 4.89645 7.3963 5.05186 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 9.62494 10.1474 9.96391 7.90149 9.51145 15.5262 numMergedOcc 0
25 mol 279 unq 0 iso 0 dist 7.83793 10.1105 7.60723 12.7149 8.49945 3.9921 numMergedOcc 0
26 mol 279 unq 1 iso 0 dist 7.83793 10.1105 7.60723 7.60708 9.68415 6.90111 numMergedOcc 0
