0 mol 58 unq 0 iso 0 dist 7.42639 5.52793 7.15486 10.6178 6.58144 6.64012 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 7.42639 5.52793 7.15486 9.88238 4.98107 9.4099 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 7.42639 5.83776 8.52969 11.8569 11.6772 6.81627 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 7.42639 5.83776 8.52969 9.65521 9.0406 7.32874 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 7.42639 5.83776 8.52969 9.88238 4.98107 9.55426 numMergedOcc 0
5 mol 70 unq 0 iso 0 dist 8.52815 10.0449 9.74268 10.6718 6.95018 9.65964 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 9.91602 7.08612 6.05043 6.5136 6.40193 7.27724 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 9.15979 5.80327 7.65229 13.3751 5.43987 9.60462 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 9.15979 5.80327 7.65229 13.1474 9.7695 7.45389 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 8.49299 13.8837 9.0339 18.8197 15.9368 7.7059 numMergedOcc 0
10 mol 182 unq 0 iso 0 dist 4.45763 8.27436 7.8621 7.21035 6.98787 9.31746 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 5.77564 5.48717 8.03567 11.9058 8.18892 9.70748 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 5.77564 5.48717 8.03567 5.47189 8.339 7.54065 numMergedOcc 0
13 mol 186 unq 2 iso 0 dist 5.77564 5.48717 8.03567 10.1325 12.2966 8.87694 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 8.64985 14.2151 9.05666 11.6074 5.64431 5.59424 numMergedOcc 0
15 mol 192 unq 1 iso 0 dist 8.64985 14.2151 9.05666 17.3171 10.8223 7.00794 numMergedOcc 0
16 mol 192 unq 2 iso 0 dist 9.54594 10.9985 9.05666 12.2815 5.64431 5.59424 numMergedOcc 0
17 mol 192 unq 3 iso 0 dist 9.54594 10.9985 9.05666 16.9446 10.8223 7.00794 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 8.04498 4.65392 7.92766 11.2139 14.0488 7.10633 numMergedOcc 0
19 mol 204 unq 1 iso 0 dist 8.04498 4.65392 7.92766 11.1575 7.58285 8.51516 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 9.95776 5.02064 7.14277 11.5635 4.02914 7.21333 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 6.44071 5.45614 8.34646 10.2339 6.21372 8.2965 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 4.971 6.00315 6.49599 13.2261 14.1932 8.13497 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 4.971 6.00315 6.49599 11.283 13.8605 7.88519 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 4.971 6.72493 9.34738 11.283 13.8605 7.84554 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 4.971 5.69584 9.47382 11.283 13.8605 7.46176 numMergedOcc 0
26 mol 276 unq 0 iso 0 dist 5.39708 5.58984 7.11272 6.97104 5.75852 6.87396 numMergedOcc 0
