0 mol 28 unq 0 iso 0 dist 9.26105 5.54975 5.13138 6.49346 7.07502 7.431 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 8.64047 11.0215 8.09408 11.9486 5.72961 4.24482 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 7.46327 12.1054 5.89661 13.113 6.46217 5.35225 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 5.61533 9.73916 4.86701 3.83194 4.72339 9.05868 numMergedOcc 0
4 mol 111 unq 1 iso 0 dist 5.61533 9.73916 4.86701 8.57867 6.48902 6.41502 numMergedOcc 0
5 mol 111 unq 2 iso 0 dist 5.61533 9.73916 4.86701 5.56913 7.21505 9.16288 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 9.60295 4.51825 5.67716 7.86862 5.4206 6.27339 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 9.60295 4.51825 5.67716 3.89328 9.56763 6.13658 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 9.60646 7.08131 9.95533 9.43694 7.19893 4.60169 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 9.60646 7.08131 9.95533 12.442 6.37938 9.0113 numMergedOcc 0
10 mol 147 unq 2 iso 0 dist 9.60646 6.7343 7.94147 9.43694 7.19893 11.3679 numMergedOcc 0
11 mol 147 unq 3 iso 0 dist 9.60646 6.7343 7.94147 12.442 6.37938 13.5566 numMergedOcc 0
12 mol 163 unq 0 iso 0 dist 9.07256 15.8488 8.67619 5.6495 7.69757 14.7667 numMergedOcc 0
13 mol 173 unq 0 iso 0 dist 5.77288 7.11016 8.44479 10.7366 9.02222 6.72353 numMergedOcc 0
14 mol 173 unq 1 iso 0 dist 5.77288 13.6358 9.00002 10.7366 9.02222 12.3835 numMergedOcc 0
15 mol 173 unq 2 iso 0 dist 8.44376 5.47851 8.44479 9.02562 9.02222 6.72353 numMergedOcc 0
16 mol 173 unq 3 iso 0 dist 8.44376 8.20267 9.00002 9.02562 9.02222 12.3835 numMergedOcc 0
17 mol 223 unq 0 iso 0 dist 7.59213 4.88048 8.99964 12.6251 8.95054 10.6187 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 9.70241 4.62155 9.06496 15.8835 8.78893 13.9944 numMergedOcc 0
