0 mol 48 unq 0 iso 0 dist 7.4343 6.39142 5.35252 9.05165 4.91237 8.05728 numMergedOcc 0
1 mol 87 unq 0 iso 0 dist 9.99609 12.809 9.90256 21.4249 15.7737 9.4868 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 7.75977 10.7488 8.15664 15.224 12.1737 5.37819 numMergedOcc 0
3 mol 99 unq 0 iso 0 dist 5.57391 4.73115 8.68674 4.06171 4.95662 8.44207 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 7.68908 5.56761 8.078 9.77978 6.38538 7.52954 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 8.58873 8.84157 6.94745 11.9089 4.21327 7.16287 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 6.29879 6.92975 5.79195 8.75007 5.9683 9.96416 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 6.29879 6.53637 9.2759 8.75007 5.9683 7.17051 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 6.29879 11.1722 8.76088 8.75007 5.9683 5.9962 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 6.29879 11.1722 8.76088 18.5903 13.8877 8.61448 numMergedOcc 0
10 mol 187 unq 0 iso 0 dist 9.90752 9.38569 8.0501 5.95841 4.75665 5.82577 numMergedOcc 0
11 mol 188 unq 0 iso 0 dist 7.82113 4.07548 8.1907 9.99509 9.77899 8.94864 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 7.52692 5.5367 6.20044 7.95977 12.4189 8.40718 numMergedOcc 0
13 mol 204 unq 1 iso 0 dist 9.7707 9.42629 6.20044 17.6153 12.4189 8.40718 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.96503 4.79799 5.86839 8.00688 6.67537 7.55333 numMergedOcc 0
15 mol 211 unq 0 iso 0 dist 8.74044 7.33323 5.6998 15.1229 9.86881 9.26542 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 9.82101 9.17371 8.52996 6.54042 4.31761 9.5942 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 8.24184 13.2154 8.63249 11.4751 4.60599 8.20542 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 8.24184 6.63806 7.74348 9.56736 4.24722 5.6568 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 7.32876 9.77666 8.57274 16.627 12.9568 9.46746 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 7.32876 9.77666 8.57274 15.5582 10.693 7.31698 numMergedOcc 0
