0 mol 1 unq 0 iso 0 dist 7.68779 6.41817 11.8728 4.86523 6.86701 10.0996 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 7.0928 9.67946 4.3253 11.7941 7.05196 10.3927 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.04193 9.42188 5.6342 7.43516 9.97769 14.4291 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.15486 9.42188 8.2405 7.43516 9.08221 14.4291 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.28737 6.25276 4.3931 15.5785 9.85905 13.8179 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 8.22406 8.57012 13.3881 4.57682 9.36001 12.273 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 8.22406 9.75945 5.90097 4.57682 9.36001 10.9647 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 5.09688 8.22984 9.75737 10.9005 7.82475 17.2742 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 5.09688 8.22984 9.75737 9.06539 5.35782 14.2997 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 9.26343 6.6157 9.75737 16.0043 7.82475 17.2742 numMergedOcc 0
10 mol 100 unq 3 iso 0 dist 9.26343 6.6157 9.75737 14.1132 5.35782 14.2997 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 7.63658 6.73172 5.76986 7.35282 9.05166 8.72725 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 7.63658 6.73172 5.76986 8.43423 5.56994 6.11407 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 6.38977 8.74658 7.7567 4.67452 9.27976 10.0568 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 4.93035 9.14007 7.42649 6.48796 8.07097 5.29898 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 7.92766 6.21588 5.86489 6.6094 7.9133 9.48625 numMergedOcc 0
16 mol 204 unq 1 iso 0 dist 6.32652 6.21588 11.2903 6.5797 5.94972 12.7525 numMergedOcc 0
17 mol 213 unq 0 iso 0 dist 9.06306 8.53661 15.1193 4.44853 7.94911 12.8565 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.62771 8.03226 6.54814 14.7797 8.82351 14.3717 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.80166 8.03226 14.388 6.10342 9.72188 10.6116 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 6.18342 9.5174 10.8792 4.21309 6.59244 13.1272 numMergedOcc 0
