0 mol 48 unq 0 iso 0 dist 9.05165 7.4343 4.91237 6.39142 8.05728 5.35252 numMergedOcc 0
1 mol 87 unq 0 iso 0 dist 7.2833 5.87044 5.41363 10.6122 6.97882 10.5649 numMergedOcc 0
2 mol 87 unq 1 iso 0 dist 7.2833 5.87044 5.41363 14.6808 9.4868 14.4041 numMergedOcc 0
3 mol 87 unq 2 iso 0 dist 7.2833 4.58684 6.79748 10.6122 6.97882 12.6704 numMergedOcc 0
4 mol 87 unq 3 iso 0 dist 7.2833 4.58684 6.79748 14.6808 9.4868 15.7588 numMergedOcc 0
5 mol 87 unq 4 iso 0 dist 7.2833 6.90348 11.1253 10.6122 6.97882 16.1178 numMergedOcc 0
6 mol 87 unq 5 iso 0 dist 7.2833 6.90348 11.1253 14.6808 9.4868 20.1915 numMergedOcc 0
7 mol 99 unq 0 iso 0 dist 4.06171 5.57391 4.95662 4.73115 8.44207 8.68674 numMergedOcc 0
8 mol 103 unq 0 iso 0 dist 9.77978 7.68908 6.38538 5.56761 7.52954 8.078 numMergedOcc 0
9 mol 103 unq 1 iso 0 dist 9.77978 7.95587 9.10567 5.56761 7.52954 10.844 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 8.75007 6.29879 5.9683 6.92975 9.96416 5.79195 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 8.75007 6.29879 5.9683 6.53637 7.17051 9.2759 numMergedOcc 0
12 mol 133 unq 2 iso 0 dist 8.75007 6.29879 5.9683 11.1722 5.9962 8.76088 numMergedOcc 0
13 mol 187 unq 0 iso 0 dist 5.95841 9.90752 4.75665 9.38569 5.82577 8.0501 numMergedOcc 0
14 mol 188 unq 0 iso 0 dist 9.99509 7.82113 9.77899 4.07548 8.94864 8.1907 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 7.95977 7.52692 12.4189 5.5367 8.40718 6.20044 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 8.00688 8.96503 6.67537 4.79799 7.55333 5.86839 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 6.54042 9.82101 4.31761 9.17371 9.5942 8.52996 numMergedOcc 0
18 mol 236 unq 0 iso 0 dist 9.56736 8.24184 4.24722 6.63806 5.6568 7.74348 numMergedOcc 0
19 mol 276 unq 0 iso 0 dist 9.63988 8.63212 4.54046 7.74891 9.5388 11.7609 numMergedOcc 0
