0 mol 52 unq 0 iso 0 dist 8.87569 8.52979 10.8037 11.2457 10.3486 5.26018 numMergedOcc 0
1 mol 52 unq 1 iso 0 dist 8.87569 8.52979 10.8037 10.6296 16.6417 7.1203 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 8.91055 8.14057 5.36296 6.81831 9.56911 8.44515 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 8.91055 8.14057 5.36296 13.8336 14.3732 9.41382 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 4.3761 9.58693 8.91618 11.3093 12.2487 5.85841 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 4.3761 9.58693 8.91618 6.41542 8.04448 6.78839 numMergedOcc 0
6 mol 98 unq 2 iso 0 dist 5.84583 9.58693 12.9994 11.3093 14.5912 5.85841 numMergedOcc 0
7 mol 98 unq 3 iso 0 dist 5.84583 9.58693 12.9994 6.41542 10.6866 6.78839 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 9.87066 6.44766 5.59449 4.7712 13.7766 8.99949 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 7.56833 7.49404 5.6098 6.8279 12.7607 9.33945 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.34149 9.45717 14.5572 6.30204 12.0054 8.43069 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 8.63279 9.45717 16.553 6.30204 13.0032 8.43069 numMergedOcc 0
12 mol 147 unq 0 iso 0 dist 8.94007 9.11046 6.91778 9.74941 12.1254 6.87299 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 6.17749 8.81925 4.82768 13.6437 9.27422 5.47561 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 8.15743 6.94983 9.60401 7.52857 11.6361 9.95045 numMergedOcc 0
15 mol 258 unq 0 iso 0 dist 9.44043 8.14812 9.07364 8.01298 10.5751 8.40766 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 5.03174 6.20796 6.12009 10.2364 11.8791 6.8902 numMergedOcc 0
17 mol 264 unq 1 iso 0 dist 7.22743 7.73693 6.12009 13.3619 11.8791 6.8902 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 6.92426 5.37894 5.58906 4.09948 8.12461 8.82899 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 5.83023 5.37894 4.84657 4.09948 9.027 8.82899 numMergedOcc 0
