0 mol 28 unq 0 iso 0 dist 9.04621 7.88348 7.43758 6.95803 5.75809 5.35996 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 8.44081 8.72422 7.43758 4.3475 5.75809 5.35996 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 6.32082 7.74348 7.6082 8.20452 6.93709 3.82644 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 6.32082 12.3417 9.24687 8.20452 6.93709 7.47409 numMergedOcc 0
4 mol 32 unq 2 iso 0 dist 6.93878 7.74348 4.09276 8.20452 6.38271 3.82644 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.66329 15.4781 8.18252 14.0127 5.85622 3.8493 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 8.66329 14.6051 7.55531 14.0127 5.85622 3.78499 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 8.91629 11.2112 7.46875 9.62739 8.44004 3.97269 numMergedOcc 0
8 mol 151 unq 0 iso 0 dist 8.7814 15.303 9.39452 12.0886 8.16646 8.95545 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 7.10956 4.21724 8.54588 15.2652 9.08818 15.1218 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 7.10956 4.21724 8.54588 6.89078 7.93563 4.77079 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 7.10956 4.21724 8.54588 8.96035 5.70056 7.71219 numMergedOcc 0
12 mol 212 unq 0 iso 0 dist 9.52641 9.31157 8.85976 9.16362 9.20546 6.22585 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 6.74945 7.21778 6.64341 4.56852 5.04072 8.85684 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 6.74945 7.21778 6.64341 10.9557 8.67956 6.43635 numMergedOcc 0
15 mol 220 unq 2 iso 0 dist 6.74945 4.35022 7.31315 4.56852 5.04072 7.67001 numMergedOcc 0
16 mol 220 unq 3 iso 0 dist 6.74945 4.35022 7.31315 10.9557 8.67956 9.04953 numMergedOcc 0
17 mol 220 unq 4 iso 0 dist 5.15585 9.58458 6.64341 3.52029 5.04072 8.85684 numMergedOcc 0
18 mol 220 unq 5 iso 0 dist 5.15585 9.58458 6.64341 8.77645 8.67956 6.43635 numMergedOcc 0
19 mol 220 unq 6 iso 0 dist 5.15585 9.67051 7.31315 3.52029 5.04072 7.67001 numMergedOcc 0
20 mol 220 unq 7 iso 0 dist 5.15585 9.67051 7.31315 8.77645 8.67956 9.04953 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 9.94974 16.1108 7.35799 5.45788 5.76793 11.2104 numMergedOcc 0
22 mol 279 unq 1 iso 0 dist 9.94974 16.1108 7.35799 14.7551 7.72276 9.14234 numMergedOcc 0
23 mol 279 unq 2 iso 0 dist 4.54596 3.82462 7.35799 7.41722 5.76793 11.2104 numMergedOcc 0
24 mol 279 unq 3 iso 0 dist 4.54596 3.82462 7.35799 8.07304 7.72276 9.14234 numMergedOcc 0
25 mol 279 unq 4 iso 0 dist 8.32942 6.05145 7.35799 13.3793 5.76793 11.2104 numMergedOcc 0
26 mol 279 unq 5 iso 0 dist 8.32942 6.05145 7.35799 7.39007 7.72276 9.14234 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 7.06322 10.841 9.2899 4.34603 8.27039 12.2 numMergedOcc 0
