0 mol 0 unq 0 iso 0 dist 7.79297 11.9798 8.82102 13.1893 6.80481 9.66691 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 7.99162 5.59831 6.35342 12.4728 12.2171 7.93028 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.54885 6.89195 8.94292 12.8367 7.12408 9.21084 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 5.84326 4.88072 6.80741 7.07124 6.15355 6.54758 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.81637 4.95437 7.84983 12.1036 4.23671 8.63912 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 5.8992 5.18488 6.7763 10.2271 8.17206 5.85873 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 5.8992 5.18488 6.7763 8.56119 5.7558 9.6163 numMergedOcc 0
7 mol 86 unq 0 iso 0 dist 5.63037 6.2653 7.8018 9.32256 9.06034 6.56673 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.8079 11.4622 4.98104 10.3799 4.46885 8.67475 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 8.3558 5.38868 4.98104 11.6676 4.46885 8.67475 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 9.9633 9.40358 7.21229 18.5953 12.6633 9.24252 numMergedOcc 0
11 mol 110 unq 1 iso 0 dist 7.77678 11.5698 5.25492 11.2997 8.4494 9.24252 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.34839 5.80854 9.10619 9.83462 4.84714 8.78112 numMergedOcc 0
13 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 10.879 9.4452 7.97 numMergedOcc 0
14 mol 178 unq 1 iso 0 dist 8.04723 6.1397 8.0974 10.9114 6.42973 6.95432 numMergedOcc 0
15 mol 178 unq 2 iso 0 dist 8.04723 6.1397 8.0974 8.81097 10.8373 9.32853 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 7.70631 16.2482 8.64255 15.3143 9.80333 8.18029 numMergedOcc 0
17 mol 206 unq 0 iso 0 dist 5.82039 8.09615 9.72979 9.36144 7.89575 5.83021 numMergedOcc 0
18 mol 206 unq 1 iso 0 dist 6.22964 8.09615 6.97859 9.36144 5.14674 5.83021 numMergedOcc 0
19 mol 210 unq 0 iso 0 dist 8.58471 15.9233 9.67457 19.327 13.1851 9.11574 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 16.9791 9.9903 7.27248 numMergedOcc 0
21 mol 229 unq 0 iso 0 dist 6.32302 5.47886 9.84492 6.92268 4.17276 8.70717 numMergedOcc 0
22 mol 229 unq 1 iso 0 dist 8.53615 14.8014 9.84492 12.4675 4.17276 8.70717 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 5.60236 7.33514 9.71281 11.1476 13.089 5.38046 numMergedOcc 0
24 mol 235 unq 1 iso 0 dist 9.03917 10.7399 9.71281 10.0929 13.089 5.38046 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 8.82778 12.7518 6.37342 11.7834 10.6736 7.69491 numMergedOcc 0
26 mol 248 unq 0 iso 0 dist 7.40475 11.0674 8.71859 11.6204 4.58289 7.90773 numMergedOcc 0
27 mol 277 unq 0 iso 0 dist 8.53324 7.09461 9.02914 9.22453 4.40029 8.18813 numMergedOcc 0
28 mol 277 unq 1 iso 0 dist 7.23956 7.09461 6.90434 9.22453 3.97543 8.18813 numMergedOcc 0
29 mol 277 unq 2 iso 0 dist 8.66941 16.013 9.02914 11.6275 4.40029 8.18813 numMergedOcc 0
