0 mol 46 unq 0 iso 0 dist 9.61289 7.74382 6.61977 15.6933 9.39741 8.23202 numMergedOcc 0
1 mol 114 unq 0 iso 0 dist 7.50886 5.21101 9.83981 13.0589 18.0914 8.55826 numMergedOcc 0
2 mol 114 unq 1 iso 0 dist 7.25217 5.21101 6.13559 13.0589 13.7458 8.55826 numMergedOcc 0
3 mol 114 unq 2 iso 0 dist 6.96057 3.88006 6.51395 5.82456 8.67095 8.55826 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 6.01132 11.7935 6.90634 10.2414 8.88349 7.7461 numMergedOcc 0
5 mol 146 unq 0 iso 0 dist 9.77771 6.27901 6.50043 6.14952 5.03111 6.47434 numMergedOcc 0
6 mol 173 unq 0 iso 0 dist 9.56248 5.04427 6.64779 6.60418 13.5257 8.14167 numMergedOcc 0
7 mol 174 unq 0 iso 0 dist 8.3622 4.01137 7.47932 10.3665 5.2323 7.54918 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 9.70025 6.02828 8.9289 12.1397 17.8726 9.2933 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 6.17129 6.78739 7.05653 13.2206 10.2555 7.08557 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 5.83596 11.3693 7.05653 15.4736 10.2555 7.08557 numMergedOcc 0
11 mol 238 unq 0 iso 0 dist 7.96197 5.18265 6.87131 10.1008 15.0682 9.49129 numMergedOcc 0
12 mol 238 unq 1 iso 0 dist 7.96197 4.30687 9.69818 10.1008 15.0682 6.80544 numMergedOcc 0
13 mol 238 unq 2 iso 0 dist 6.24435 5.18265 8.09718 10.1008 13.1727 9.49129 numMergedOcc 0
14 mol 238 unq 3 iso 0 dist 6.24435 4.30687 6.73446 10.1008 13.1727 6.80544 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 5.18952 10.2859 8.08764 7.15878 4.47004 8.99609 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 5.648 10.2859 9.01462 7.15878 7.14566 8.99609 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 7.77265 3.87679 7.12785 11.7631 12.2233 9.18477 numMergedOcc 0
18 mol 243 unq 1 iso 0 dist 9.65322 3.87679 6.66959 11.7631 4.54892 9.18477 numMergedOcc 0
19 mol 243 unq 2 iso 0 dist 6.9453 5.40441 6.66959 8.6336 4.54892 9.18477 numMergedOcc 0
20 mol 273 unq 0 iso 0 dist 9.79283 13.9497 8.85779 21.3713 13.2599 8.83491 numMergedOcc 0
21 mol 273 unq 1 iso 0 dist 9.79283 13.9497 8.85779 19.1783 10.9195 9.02711 numMergedOcc 0
