0 mol 45 unq 0 iso 0 dist 9.60864 8.83919 5.85737 3.75636 7.43769 5.31095 numMergedOcc 0
1 mol 63 unq 0 iso 0 dist 8.01382 8.06894 3.23074 10.9018 9.71349 7.73753 numMergedOcc 0
2 mol 63 unq 1 iso 0 dist 7.77386 5.89846 3.23074 7.97838 9.71349 7.73753 numMergedOcc 0
3 mol 81 unq 0 iso 0 dist 7.27852 4.95504 6.27606 6.17229 11.5759 5.70283 numMergedOcc 0
4 mol 81 unq 1 iso 0 dist 7.27852 4.95504 6.27606 8.36931 12.8975 7.16741 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 5.99046 9.27814 8.44 7.18472 10.7986 7.67463 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 6.93424 8.14978 3.80763 15.8234 9.03842 8.56285 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 6.8891 8.14978 9.98068 15.8234 14.447 8.56285 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 6.6094 8.94352 10.1443 15.6431 18.2684 9.28718 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 9.13228 7.42696 12.8344 15.1198 17.9596 9.39795 numMergedOcc 0
10 mol 184 unq 1 iso 0 dist 9.13228 7.42696 12.8344 6.47176 15.4427 7.33424 numMergedOcc 0
11 mol 184 unq 2 iso 0 dist 9.13228 7.42696 12.8344 7.88594 8.38137 8.04472 numMergedOcc 0
12 mol 184 unq 3 iso 0 dist 9.13228 5.86468 6.04545 3.76904 9.9319 6.03495 numMergedOcc 0
13 mol 184 unq 4 iso 0 dist 9.13228 8.73302 4.12242 11.4479 9.02161 8.93083 numMergedOcc 0
14 mol 184 unq 5 iso 0 dist 9.13228 8.73302 4.12242 7.88594 8.38137 5.62851 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 7.71806 4.42095 7.29209 10.9163 10.4112 8.93352 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 8.84033 8.52735 11.7688 9.26118 17.242 9.41157 numMergedOcc 0
17 mol 225 unq 1 iso 0 dist 8.84033 5.65735 3.87855 6.77967 12.4503 9.57433 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 8.35637 5.2116 3.99887 7.95139 7.89384 8.63893 numMergedOcc 0
