0 mol 2 unq 0 iso 0 dist 5.5745 8.5893 8.75089 9.39095 6.81721 7.16799 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 5.5745 8.29974 8.39246 9.39095 6.81721 4.03902 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 7.11633 8.77401 9.24758 7.6974 10.6981 6.04228 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.05508 8.11934 12.2118 9.34271 10.1462 11.7393 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 9.00229 8.11934 5.43926 9.34271 15.0017 11.7393 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 9.08307 6.22059 6.08849 9.53663 9.42402 4.52409 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.5819 9.98606 5.44942 7.33353 10.3949 8.53624 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 7.5819 9.98606 5.44942 8.55622 9.61344 6.51944 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 5.17585 8.12196 6.68847 9.60648 5.53441 10.0831 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 9.50322 6.31523 10.7358 8.52036 10.3893 8.25439 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 5.82404 6.31523 5.58281 8.52036 11.323 8.25439 numMergedOcc 0
11 mol 169 unq 0 iso 0 dist 9.46833 7.43598 12.6178 7.50458 13.9883 11.7922 numMergedOcc 0
12 mol 169 unq 1 iso 0 dist 9.46833 7.43598 12.6178 5.79554 14.8937 9.95128 numMergedOcc 0
13 mol 169 unq 2 iso 0 dist 9.46833 7.43598 12.6178 4.22003 13.4235 6.47839 numMergedOcc 0
14 mol 185 unq 0 iso 0 dist 9.878 6.83972 4.84598 9.1549 5.67139 5.67016 numMergedOcc 0
15 mol 185 unq 1 iso 0 dist 9.878 6.70069 7.73092 9.1549 5.67139 6.62376 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 8.96988 9.33272 5.88779 6.99587 9.14919 12.998 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 8.96988 9.33272 5.88779 4.37577 9.11577 11.8806 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 7.16386 8.89394 7.36923 8.60252 3.7812 5.10195 numMergedOcc 0
19 mol 257 unq 0 iso 0 dist 9.83721 9.91856 8.55247 9.82105 7.41143 13.4641 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 9.772 6.21022 12.0749 5.8898 7.71667 6.61195 numMergedOcc 0
