0 mol 67 unq 0 iso 0 dist 7.9572 5.63802 10.0069 6.22963 11.6368 9.67641 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 8.64208 5.63802 13.6485 6.22963 8.70949 9.67641 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.89021 8.13535 14.3261 11.0045 19.5366 7.80375 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.20865 7.98039 10.4027 11.5012 11.8527 6.04768 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 8.20865 7.98039 10.4027 15.79 13.7128 9.40173 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 7.23052 9.18949 14.8831 11.8195 17.8042 9.87146 numMergedOcc 0
6 mol 162 unq 0 iso 0 dist 9.42819 6.80226 10.1865 7.74222 15.39 8.24791 numMergedOcc 0
7 mol 185 unq 0 iso 0 dist 9.03315 6.68054 8.51873 8.43625 16.14 8.94849 numMergedOcc 0
8 mol 185 unq 1 iso 0 dist 9.03315 6.68054 8.51873 6.35924 11.758 8.7695 numMergedOcc 0
9 mol 185 unq 2 iso 0 dist 9.59096 6.68054 4.74713 8.43625 6.89879 8.94849 numMergedOcc 0
10 mol 185 unq 3 iso 0 dist 9.59096 6.68054 4.74713 6.35924 10.3236 8.7695 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 7.7292 8.82861 5.86489 13.6068 11.513 6.62013 numMergedOcc 0
12 mol 204 unq 1 iso 0 dist 6.27396 8.82861 11.2903 13.6068 15.4761 6.62013 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.9077 7.46122 7.11498 11.9931 6.21273 7.58118 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 9.85951 8.32948 11.5838 12.7341 19.0048 9.24466 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 7.6414 6.45102 6.18925 5.03102 10.7452 9.88841 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 6.47376 9.29922 12.6502 12.3869 12.0882 8.6522 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 6.47376 9.29922 12.6502 7.27825 9.65846 7.31529 numMergedOcc 0
18 mol 279 unq 2 iso 0 dist 6.47376 9.29922 12.6502 4.77763 8.68797 5.21664 numMergedOcc 0
