0 mol 30 unq 0 iso 0 dist 8.42028 4.16979 7.57624 6.9187 7.78893 7.63516 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 8.42028 4.16979 7.57624 5.14343 5.85146 3.68767 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 7.66509 6.42601 5.01135 7.82999 5.54554 3.3303 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.66509 6.42601 5.01135 4.08527 6.84514 5.54746 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.66509 6.42601 5.01135 6.72317 8.95402 8.51393 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.86086 6.51799 5.20384 7.78862 5.5232 3.41312 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 7.86086 6.51799 5.20384 4.05688 7.05619 5.76412 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.61801 9.04786 9.23985 5.56226 6.97741 5.39278 numMergedOcc 0
8 mol 111 unq 0 iso 0 dist 6.33278 10.8891 6.63857 6.4659 4.72339 5.39108 numMergedOcc 0
9 mol 111 unq 1 iso 0 dist 6.33278 10.8891 6.63857 6.99019 6.48902 7.4253 numMergedOcc 0
10 mol 111 unq 2 iso 0 dist 6.33278 10.8891 6.63857 4.33993 7.21505 13.201 numMergedOcc 0
11 mol 111 unq 3 iso 0 dist 5.46061 11.8898 6.63857 8.74843 4.72339 5.39108 numMergedOcc 0
12 mol 111 unq 4 iso 0 dist 5.46061 11.8898 6.63857 8.48833 6.48902 7.4253 numMergedOcc 0
13 mol 111 unq 5 iso 0 dist 5.46061 11.8898 6.63857 3.8652 7.21505 13.201 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 8.8782 4.15998 6.00293 5.33745 9.56342 5.77936 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 8.37755 8.14583 6.59925 6.78721 7.6741 3.46183 numMergedOcc 0
16 mol 184 unq 0 iso 0 dist 8.24161 4.76465 6.96113 3.48538 5.71872 3.07409 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 5.85981 4.36555 5.46783 8.63293 8.95054 6.2478 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 9.26739 3.91882 7.74885 9.28063 7.83105 9.09582 numMergedOcc 0
19 mol 230 unq 1 iso 0 dist 9.26739 3.91882 7.74885 4.77183 5.63025 3.83847 numMergedOcc 0
20 mol 232 unq 0 iso 0 dist 8.79558 6.56149 8.48604 6.8727 6.19029 4.62296 numMergedOcc 0
