0 mol 25 unq 0 iso 0 dist 8.94828 16.0229 9.48085 12.0615 6.08585 6.53269 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.94828 16.0229 9.48085 14.6951 9.15781 9.81524 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.81637 6.69301 9.22598 14.7768 9.95364 9.01564 numMergedOcc 0
3 mol 72 unq 0 iso 0 dist 5.48831 10.6185 9.55118 14.4253 11.6378 7.58875 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.61812 17.6236 9.90751 15.7335 6.12107 7.81446 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.61812 17.5707 9.21662 15.7335 6.12107 6.55173 numMergedOcc 0
6 mol 100 unq 2 iso 0 dist 9.61812 17.5707 9.21662 14.1322 5.42531 6.59691 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.42474 4.9759 9.05166 9.86487 5.76986 8.72725 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.42474 6.59976 5.56994 9.86487 5.76986 6.11407 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.00172 7.44092 8.77023 12.0146 4.54648 8.83732 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 8.84656 15.9796 7.93372 7.85849 5.29786 9.0176 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 8.31276 6.67639 9.10524 11.4172 6.98221 7.83568 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 8.94541 8.17498 9.00918 11.8878 14.2198 7.83568 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 7.30919 6.67639 9.00918 11.4172 14.2198 7.83568 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 7.73769 4.33589 5.37047 9.01311 6.48978 5.06564 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 7.73769 4.33589 5.37047 11.1518 5.20762 7.5373 numMergedOcc 0
16 mol 154 unq 0 iso 0 dist 7.34207 13.1744 8.33439 12.8363 7.51976 8.71789 numMergedOcc 0
17 mol 154 unq 1 iso 0 dist 7.34207 13.1744 8.33439 14.173 7.23684 5.2693 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 5.21803 7.06734 7.45998 13.4902 10.1865 8.33407 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 6.09874 5.43915 8.59874 9.01017 6.06566 7.35884 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.52413 6.21482 7.2793 10.6368 10.5063 6.88127 numMergedOcc 0
21 mol 232 unq 0 iso 0 dist 7.57253 8.96601 6.71524 11.059 4.9377 9.9183 numMergedOcc 0
22 mol 267 unq 0 iso 0 dist 7.94474 10.6273 8.8293 14.2752 9.14203 6.27154 numMergedOcc 0
23 mol 273 unq 0 iso 0 dist 9.79022 4.3735 6.31969 6.59092 7.81483 5.61969 numMergedOcc 0
24 mol 273 unq 1 iso 0 dist 9.79022 4.3735 6.31969 10.8337 7.92179 9.0277 numMergedOcc 0
25 mol 277 unq 0 iso 0 dist 7.151 10.3171 9.57499 6.71956 6.28695 9.26157 numMergedOcc 0
26 mol 277 unq 1 iso 0 dist 8.53324 10.3171 5.46926 6.71956 4.37645 9.26157 numMergedOcc 0
27 mol 277 unq 2 iso 0 dist 7.23956 10.3171 8.9682 6.71956 7.70529 9.26157 numMergedOcc 0
28 mol 277 unq 3 iso 0 dist 8.33977 5.04761 9.57499 11.2339 6.28695 9.26157 numMergedOcc 0
29 mol 277 unq 4 iso 0 dist 8.66941 5.04761 5.46926 11.2339 4.37645 9.26157 numMergedOcc 0
