0 mol 12 unq 0 iso 0 dist 6.13335 5.93993 5.44478 12.3569 7.00079 8.18296 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 6.13335 5.93993 5.44478 10.5206 6.50215 7.99569 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.49518 12.6218 6.57749 14.2748 7.92725 7.41937 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 8.49518 12.6218 6.57749 11.6742 7.26324 6.07108 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 8.05324 4.29979 5.5851 10.2191 5.03448 9.46568 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 9.08158 4.04981 6.31232 11.2802 12.6015 9.18949 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 7.33878 11.6307 8.60157 13.1438 6.57631 6.86997 numMergedOcc 0
7 mol 148 unq 1 iso 0 dist 7.33878 11.6307 8.60157 14.8131 8.40891 7.46919 numMergedOcc 0
8 mol 148 unq 2 iso 0 dist 7.33878 11.6307 8.60157 17.8909 11.7674 8.24581 numMergedOcc 0
9 mol 150 unq 0 iso 0 dist 7.48646 11.7414 8.59359 13.2533 6.56068 6.79381 numMergedOcc 0
10 mol 150 unq 1 iso 0 dist 7.48646 11.7414 8.59359 14.8227 8.32178 7.36989 numMergedOcc 0
11 mol 150 unq 2 iso 0 dist 7.48646 11.7414 8.59359 18 11.7699 8.17805 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 9.66949 7.43284 6.45502 14.8763 7.33177 8.07946 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 9.71975 8.26563 7.5696 17.328 11.801 9.23676 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 8.99521 4.09525 7.6174 8.31751 8.00084 5.3747 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 6.09318 6.96816 7.19924 9.94034 5.93253 9.85821 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 8.67228 12.286 8.89382 16.3701 10.0326 7.82708 numMergedOcc 0
17 mol 272 unq 0 iso 0 dist 9.30647 17.857 9.10712 12.4835 5.22125 7.15093 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 8.03252 12.652 9.48559 10.2078 3.5882 8.30195 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 7.94434 6.54424 4.09984 8.51221 6.25741 9.26309 numMergedOcc 0
