0 mol 43 unq 0 iso 0 dist 8.47617 8.99509 5.06502 12.8271 8.95682 12.3649 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.47617 5.73331 6.45462 12.8271 8.95682 14.3789 numMergedOcc 0
2 mol 43 unq 2 iso 0 dist 8.47617 8.48694 10.5986 12.8271 8.95682 18.1518 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 6.56664 9.58156 8.62608 6.71938 7.56205 4.74544 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 9.58156 6.56664 8.62608 6.71938 4.74544 7.56205 numMergedOcc 0
5 mol 62 unq 2 iso 0 dist 7.99003 9.52036 5.80772 5.31715 7.56205 10.2668 numMergedOcc 0
6 mol 62 unq 3 iso 0 dist 9.96382 7.59416 8.62608 6.76473 7.56205 4.74544 numMergedOcc 0
7 mol 62 unq 4 iso 0 dist 7.59416 9.96382 8.62608 6.76473 4.74544 7.56205 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 8.13273 8.29852 6.59884 15.7943 9.49454 15.8861 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 6.53153 6.29975 6.69554 5.42142 9.97654 6.66772 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 6.53153 8.29673 6.761 5.42142 9.97654 7.71248 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 6.29975 6.53153 6.69554 5.42142 6.66772 9.97654 numMergedOcc 0
12 mol 133 unq 3 iso 0 dist 6.29975 8.29673 7.6656 5.42142 6.66772 7.71248 numMergedOcc 0
13 mol 133 unq 4 iso 0 dist 8.29673 6.53153 6.761 5.42142 7.71248 9.97654 numMergedOcc 0
14 mol 133 unq 5 iso 0 dist 8.29673 6.29975 7.6656 5.42142 7.71248 6.66772 numMergedOcc 0
15 mol 156 unq 0 iso 0 dist 9.25604 6.32876 13.7051 11.2214 8.73722 17.4982 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.50454 7.15963 11.9017 6.15536 5.9176 11.602 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.50454 7.15963 11.9017 14.7795 6.41453 17.1805 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 7.15963 9.50454 11.9017 10.5886 8.90963 14.7352 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 4.97115 9.45804 10.8061 7.68725 6.70531 13.0345 numMergedOcc 0
20 mol 196 unq 1 iso 0 dist 4.97115 9.8486 13.8566 7.68725 6.70531 14.856 numMergedOcc 0
21 mol 196 unq 2 iso 0 dist 4.97115 7.23126 10.2747 7.68725 6.70531 6.86319 numMergedOcc 0
22 mol 196 unq 3 iso 0 dist 7.23126 4.97115 10.2747 7.68725 6.86319 6.70531 numMergedOcc 0
23 mol 196 unq 4 iso 0 dist 7.23126 9.45804 11.8114 7.68725 6.86319 13.0345 numMergedOcc 0
24 mol 196 unq 5 iso 0 dist 7.23126 9.8486 10.1707 7.68725 6.86319 14.856 numMergedOcc 0
25 mol 206 unq 0 iso 0 dist 7.94694 7.51923 5.63422 8.91883 6.16414 7.75885 numMergedOcc 0
26 mol 206 unq 1 iso 0 dist 7.94694 7.51923 5.63422 8.83227 7.33701 11.4872 numMergedOcc 0
27 mol 206 unq 2 iso 0 dist 7.94694 7.51923 5.63422 10.6714 8.0871 13.2041 numMergedOcc 0
28 mol 206 unq 3 iso 0 dist 7.51923 7.94694 5.63422 8.91883 7.75885 6.16414 numMergedOcc 0
29 mol 213 unq 0 iso 0 dist 7.22234 8.48081 5.45334 6.51731 7.37798 11.8877 numMergedOcc 0
30 mol 213 unq 1 iso 0 dist 7.22234 8.48081 5.45334 12.2528 7.73322 8.14332 numMergedOcc 0
31 mol 213 unq 2 iso 0 dist 8.48081 7.22234 5.45334 12.2528 8.14332 7.73322 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 6.15754 8.9413 5.88703 14.7836 9.81425 13.293 numMergedOcc 0
33 mol 240 unq 0 iso 0 dist 7.0935 7.12912 4.28414 12.7219 6.68687 10.5594 numMergedOcc 0
34 mol 243 unq 0 iso 0 dist 8.69557 9.39147 10.2411 6.86882 8.76935 13.6797 numMergedOcc 0
35 mol 243 unq 1 iso 0 dist 8.69557 9.39147 10.2411 10.1903 8.47652 16.3801 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 7.83102 8.59825 9.87519 4.40079 6.71375 9.58094 numMergedOcc 0
