0 mol 10 unq 0 iso 0 dist 8.2106 9.03951 9.13852 5.05805 6.6345 8.00369 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 6.70095 8.5021 6.52918 8.60221 8.17003 13.0055 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.43162 7.41937 11.1043 4.8818 7.49869 11.7999 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 8.43162 6.07108 12.2002 4.8818 7.49869 10.9343 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.70612 6.6186 5.04277 5.00872 6.40964 8.57827 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 6.79959 9.68619 3.96279 7.19464 9.06479 12.8303 numMergedOcc 0
6 mol 103 unq 1 iso 0 dist 6.79959 9.68619 3.96279 5.23889 9.90038 12.2596 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.53914 9.13614 6.12935 4.36531 8.80233 11.3544 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 8.53914 9.13614 6.12935 5.02505 8.71813 6.76575 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 6.59407 6.80226 4.93161 6.62679 9.27256 7.58035 numMergedOcc 0
10 mol 162 unq 1 iso 0 dist 9.96586 8.11292 4.05981 13.9849 8.6792 8.57005 numMergedOcc 0
11 mol 162 unq 2 iso 0 dist 7.30751 8.54006 4.05981 7.2417 8.6792 8.57005 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 5.86839 6.23057 4.79372 7.04224 8.23349 8.07076 numMergedOcc 0
13 mol 205 unq 1 iso 0 dist 5.86839 6.23057 4.79372 8.43505 8.7062 5.95375 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 8.57174 7.46122 15.6078 7.92534 8.19109 14.6251 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 9.24729 8.85051 9.16476 5.02022 6.86851 6.34832 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 6.77822 6.83927 4.06349 4.127 7.42469 7.38566 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 6.77822 9.25162 9.4234 4.127 7.42469 8.28466 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 7.74348 8.88405 8.64384 10.151 5.6241 13.7942 numMergedOcc 0
19 mol 236 unq 1 iso 0 dist 7.74348 7.13854 9.7977 10.151 5.6241 14.6372 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 7.43391 9.97458 16.3 4.70754 7.34623 13.5514 numMergedOcc 0
