0 mol 45 unq 0 iso 0 dist 4.5673 4.44247 7.97558 6.87036 3.61653 8.98789 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 8.68989 5.82846 6.99001 12.6509 7.06935 9.77004 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 8.68989 5.82846 6.99001 12.303 10.6648 8.36323 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 8.13535 7.78899 5.30477 4.8983 4.1846 6.8173 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.31426 7.30364 7.2131 6.34669 3.77771 9.22123 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 7.31426 7.30364 7.2131 13.6006 9.04084 7.36335 numMergedOcc 0
6 mol 92 unq 2 iso 0 dist 6.15654 10.9929 7.44343 15.7218 9.8974 9.22123 numMergedOcc 0
7 mol 92 unq 3 iso 0 dist 6.15654 10.9929 7.44343 6.61645 3.87825 7.36335 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 7.13064 5.40647 5.76109 10.8178 5.01255 7.37377 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 7.13064 5.40647 5.76109 7.44027 4.76749 9.15802 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 7.8962 5.40647 8.0955 10.8178 8.98901 7.37377 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 7.8962 5.40647 8.0955 7.44027 5.73248 9.15802 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 4.86767 3.97585 7.78223 7.4113 3.67473 9.00059 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 8.49831 5.79944 5.11444 8.09561 5.83776 8.78397 numMergedOcc 0
14 mol 185 unq 0 iso 0 dist 6.68054 4.81985 8.56136 9.11629 9.87079 4.91046 numMergedOcc 0
15 mol 253 unq 0 iso 0 dist 9.29788 8.79627 9.6479 6.93942 5.68255 9.137 numMergedOcc 0
16 mol 253 unq 1 iso 0 dist 9.29788 8.79627 9.6479 9.05161 5.57952 8.0127 numMergedOcc 0
17 mol 253 unq 2 iso 0 dist 9.50983 5.05272 9.6479 9.31626 5.68255 9.137 numMergedOcc 0
18 mol 253 unq 3 iso 0 dist 9.50983 5.05272 9.6479 9.77366 5.57952 8.0127 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 8.67838 6.27756 9.46421 9.29687 4.30125 7.83983 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 7.14502 12.6882 9.7659 10.3954 5.90794 8.30521 numMergedOcc 0
