0 mol 10 unq 0 iso 0 dist 9.1125 9.03002 6.48748 9.6309 7.54307 6.45295 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.1125 9.03002 6.48748 9.23414 4.37568 6.06897 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.61357 9.59244 7.43198 4.90216 9.95453 11.6713 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 8.61357 9.59244 7.43198 9.84217 5.6003 3.88148 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 9.65672 8.1599 10.894 6.35779 7.31044 5.9487 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 8.34804 9.46247 11 8.4702 8.43533 4.04753 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 5.73908 7.51075 13.0823 5.57551 5.08181 10.6721 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 6.77421 7.51075 5.31976 5.57551 8.41751 10.6721 numMergedOcc 0
8 mol 69 unq 0 iso 0 dist 7.21809 8.91902 9.27886 9.56859 4.08651 13.2678 numMergedOcc 0
9 mol 69 unq 1 iso 0 dist 5.69055 5.47319 7.76775 5.75135 4.08651 8.67853 numMergedOcc 0
10 mol 69 unq 2 iso 0 dist 5.69055 9.8809 13.1847 5.75135 4.08651 10.8149 numMergedOcc 0
11 mol 101 unq 0 iso 0 dist 7.22737 5.22543 4.51951 6.67863 4.4529 6.2696 numMergedOcc 0
12 mol 185 unq 0 iso 0 dist 8.2968 9.878 10.3307 9.1549 5.55352 5.67139 numMergedOcc 0
13 mol 210 unq 0 iso 0 dist 5.33103 8.62103 11.5481 9.49242 13.5812 9.97638 numMergedOcc 0
14 mol 210 unq 1 iso 0 dist 5.33103 8.62103 11.5481 9.25184 10.061 4.29623 numMergedOcc 0
15 mol 210 unq 2 iso 0 dist 9.01301 8.62103 8.72811 9.49242 12.9549 9.97638 numMergedOcc 0
16 mol 210 unq 3 iso 0 dist 9.01301 8.62103 8.72811 9.25184 5.11839 4.29623 numMergedOcc 0
17 mol 220 unq 0 iso 0 dist 8.65468 7.16386 9.18673 8.60252 6.60058 3.7812 numMergedOcc 0
18 mol 241 unq 0 iso 0 dist 8.96917 9.10633 8.4988 8.49869 5.1104 4.07839 numMergedOcc 0
19 mol 250 unq 0 iso 0 dist 5.43868 9.16048 6.52586 9.7302 7.10919 5.21406 numMergedOcc 0
20 mol 250 unq 1 iso 0 dist 7.02096 9.16048 6.31894 9.7302 4.7951 5.21406 numMergedOcc 0
21 mol 250 unq 2 iso 0 dist 9.80833 9.16048 6.44136 9.7302 10.5301 5.21406 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 5.11998 5.11865 7.75371 numMergedOcc 0
23 mol 277 unq 1 iso 0 dist 6.70414 9.29635 5.77904 5.79925 8.46455 11.3546 numMergedOcc 0
