0 mol 32 unq 0 iso 0 dist 8.83144 8.85083 5.33785 14.2574 10.1837 8.78511 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 8.92175 7.01107 5.70395 9.42746 12.9185 9.11764 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 7.72041 6.6367 4.9947 7.72003 10.1596 9.41463 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 6.09085 7.51631 7.18877 4.60844 10.0169 8.19932 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 6.72469 4.9983 3.74917 3.62638 5.7369 5.64092 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 7.10218 5.98764 10.145 5.42116 11.8876 4.27766 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 8.71812 8.83566 3.43966 12.2757 10.1658 9.87354 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 9.71155 8.7019 5.34959 4.6728 9.43904 8.91326 numMergedOcc 0
8 mol 162 unq 1 iso 0 dist 9.71155 8.7019 5.34959 7.06734 7.01095 8.33649 numMergedOcc 0
9 mol 169 unq 0 iso 0 dist 9.70796 6.85177 13.7198 5.68862 11.117 7.65903 numMergedOcc 0
10 mol 169 unq 1 iso 0 dist 9.70796 8.88729 15.5677 5.68862 11.117 5.97653 numMergedOcc 0
11 mol 169 unq 2 iso 0 dist 8.89822 7.07933 3.59996 6.43144 10.2894 9.06172 numMergedOcc 0
12 mol 169 unq 3 iso 0 dist 8.89822 7.07933 3.59996 6.37039 11.3115 8.93091 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 8.33147 8.77932 3.88698 8.04827 9.52678 7.25623 numMergedOcc 0
14 mol 184 unq 1 iso 0 dist 8.09403 8.77932 3.30691 8.04827 4.61596 7.25623 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.9388 8.86574 16.2492 6.21482 9.98715 9.34653 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 7.59666 8.47283 8.03752 5.10199 9.26214 7.98864 numMergedOcc 0
17 mol 204 unq 1 iso 0 dist 6.51936 8.47283 4.05102 5.10199 5.00369 7.98864 numMergedOcc 0
18 mol 207 unq 0 iso 0 dist 7.25953 9.064 4.67727 7.22657 4.76113 7.30153 numMergedOcc 0
19 mol 207 unq 1 iso 0 dist 9.05688 9.064 10.0842 7.22657 9.29133 7.30153 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 6.28826 7.93054 4.16963 5.055 4.85332 7.66702 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 8.19223 4.54064 9.98348 4.87707 11.6305 8.51564 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 7.30349 7.96613 13.6742 8.86075 15.971 7.72861 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 7.88009 8.70774 5.9732 5.62605 7.16209 5.13533 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 5.80061 8.70774 3.79766 5.62605 4.62936 5.13533 numMergedOcc 0
25 mol 285 unq 0 iso 0 dist 7.12723 5.93983 3.14843 7.67857 10.4537 7.73438 numMergedOcc 0
