0 mol 68 unq 0 iso 0 dist 6.27321 3.62638 7.98985 4.9983 3.99506 5.64092 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 6.27321 3.62638 7.98985 11.6661 16.2325 8.71074 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 5.20528 4.78636 5.05893 8.27154 5.22259 4.29937 numMergedOcc 0
3 mol 85 unq 1 iso 0 dist 5.20528 4.78636 5.05893 9.95742 7.66499 5.37869 numMergedOcc 0
4 mol 85 unq 2 iso 0 dist 5.20528 7.24335 5.71866 8.27154 5.22259 3.65628 numMergedOcc 0
5 mol 85 unq 3 iso 0 dist 5.20528 7.24335 5.71866 9.95742 7.66499 4.05415 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 8.49444 9.55465 9.30645 10.0952 6.29259 8.67025 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 9.63085 13.1596 7.75314 11.3663 4.94367 8.49847 numMergedOcc 0
8 mol 169 unq 0 iso 0 dist 9.03552 12.1541 6.0859 8.29054 5.68902 9.06172 numMergedOcc 0
9 mol 169 unq 1 iso 0 dist 9.03552 14.0696 6.05009 8.29054 5.68902 8.93091 numMergedOcc 0
10 mol 169 unq 2 iso 0 dist 5.77897 12.1541 9.15283 8.29054 3.83687 9.06172 numMergedOcc 0
11 mol 169 unq 3 iso 0 dist 8.59976 6.43144 6.0859 7.07933 5.68902 9.06172 numMergedOcc 0
12 mol 169 unq 4 iso 0 dist 8.59976 6.37039 6.05009 7.07933 5.68902 8.93091 numMergedOcc 0
13 mol 169 unq 5 iso 0 dist 9.71763 6.43144 9.15283 7.07933 3.83687 9.06172 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 6.71675 8.04827 7.81263 8.77932 5.69882 7.25623 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.41708 6.50911 9.45907 13.7516 14.2269 8.17928 numMergedOcc 0
16 mol 224 unq 0 iso 0 dist 7.32216 7.67194 7.30592 14.2822 12.5391 7.98132 numMergedOcc 0
17 mol 224 unq 1 iso 0 dist 7.32216 7.67194 7.30592 12.1672 13.1055 7.99036 numMergedOcc 0
18 mol 224 unq 2 iso 0 dist 9.92206 7.67194 9.46687 14.2822 9.61316 7.98132 numMergedOcc 0
19 mol 224 unq 3 iso 0 dist 9.92206 7.67194 9.46687 12.1672 8.81276 7.99036 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 4.76698 4.87707 6.75725 4.54064 3.60349 8.51564 numMergedOcc 0
21 mol 260 unq 1 iso 0 dist 4.76698 14.0463 9.31888 11.0968 7.28821 7.49606 numMergedOcc 0
22 mol 278 unq 0 iso 0 dist 6.9592 5.90283 9.03998 11.1576 6.89604 9.67239 numMergedOcc 0
