0 mol 24 unq 0 iso 0 dist 4.93188 8.23075 4.21283 13.5399 9.65174 8.25818 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 7.33422 8.04242 9.09756 8.37717 12.1427 4.18248 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 8.00777 9.01812 4.06365 5.76272 5.72961 4.18248 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 7.26086 7.92856 8.67903 13.6536 15.0583 6.5816 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 7.71107 9.06601 12.2445 6.34994 12.3768 4.91212 numMergedOcc 0
5 mol 111 unq 1 iso 0 dist 7.71107 9.06601 12.2445 8.26306 15.4321 9.74162 numMergedOcc 0
6 mol 111 unq 2 iso 0 dist 7.71107 5.98809 3.75797 6.34994 12.3768 9.34782 numMergedOcc 0
7 mol 120 unq 0 iso 0 dist 8.93905 6.42623 9.23272 5.61274 14.1324 7.84207 numMergedOcc 0
8 mol 120 unq 1 iso 0 dist 8.93905 6.42623 9.23272 3.35803 10.2198 6.98791 numMergedOcc 0
9 mol 120 unq 2 iso 0 dist 8.93905 8.95899 14.3708 5.61274 14.1324 8.56947 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 8.41611 8.99891 7.87644 6.75249 7.22 4.3855 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 7.63338 8.99891 13.5899 6.75249 12.0797 4.3855 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 9.03707 8.99891 9.13604 6.75249 11.1688 4.3855 numMergedOcc 0
13 mol 143 unq 3 iso 0 dist 7.25673 8.99891 12.6218 6.75249 12.5626 4.3855 numMergedOcc 0
14 mol 147 unq 0 iso 0 dist 5.49226 8.39897 7.88487 7.06219 9.032 3.82583 numMergedOcc 0
15 mol 147 unq 1 iso 0 dist 5.49226 8.39897 7.88487 4.19634 7.19893 5.19116 numMergedOcc 0
16 mol 186 unq 0 iso 0 dist 7.24795 5.90765 9.28201 12.1883 16.4753 7.25595 numMergedOcc 0
17 mol 186 unq 1 iso 0 dist 7.24795 5.90765 9.28201 6.89146 13.494 9.94825 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 6.26839 9.52922 7.82899 12.8006 12.7017 5.10542 numMergedOcc 0
19 mol 198 unq 0 iso 0 dist 8.10985 8.08471 5.45278 4.27652 5.20846 7.38825 numMergedOcc 0
20 mol 206 unq 0 iso 0 dist 8.70977 6.23183 11.5047 3.56132 12.1176 6.80296 numMergedOcc 0
21 mol 253 unq 0 iso 0 dist 9.66465 9.27311 16.4545 5.10494 14.632 8.66299 numMergedOcc 0
