0 mol 11 unq 0 iso 0 dist 9.13662 9.65468 14.2005 9.54175 9.3651 18.6874 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.13662 9.14139 8.68636 9.54175 9.3651 13.5255 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 6.77845 6.91808 8.68636 6.83996 9.3651 13.5255 numMergedOcc 0
3 mol 30 unq 0 iso 0 dist 6.30807 5.90481 7.5925 11.2046 7.2159 11.6463 numMergedOcc 0
4 mol 30 unq 1 iso 0 dist 6.30807 5.90481 7.5925 8.40606 8.93093 13.0384 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 8.64665 9.42869 15.8202 4.57882 9.67403 7.28917 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 9.42869 8.64665 15.8202 5.35367 7.02173 12.924 numMergedOcc 0
7 mol 61 unq 2 iso 0 dist 9.42869 8.64665 15.8202 4.57882 7.28917 9.67403 numMergedOcc 0
8 mol 67 unq 0 iso 0 dist 5.16558 9.62459 5.32316 5.23343 6.23298 9.85405 numMergedOcc 0
9 mol 67 unq 1 iso 0 dist 9.62459 5.16558 5.32316 5.23343 9.85405 6.23298 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 8.61468 6.27186 3.93133 5.71434 6.02034 6.77808 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 6.27186 8.61468 3.93133 5.71434 6.77808 6.02034 numMergedOcc 0
12 mol 93 unq 0 iso 0 dist 8.84466 9.2948 16.5604 13.2527 7.62629 20.5665 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 8.94096 7.64207 4.05522 8.83313 7.81335 7.63333 numMergedOcc 0
14 mol 132 unq 1 iso 0 dist 7.64207 8.94096 4.05522 8.83313 7.63333 7.81335 numMergedOcc 0
15 mol 133 unq 0 iso 0 dist 5.59311 9.22456 5.01776 7.75644 9.21256 8.3243 numMergedOcc 0
16 mol 133 unq 1 iso 0 dist 5.59311 5.7232 10.5425 7.75644 9.21256 6.23615 numMergedOcc 0
17 mol 133 unq 2 iso 0 dist 9.22456 5.59311 5.01776 7.75644 8.3243 9.21256 numMergedOcc 0
18 mol 133 unq 3 iso 0 dist 9.22456 5.7232 12.3753 7.75644 8.3243 6.23615 numMergedOcc 0
19 mol 133 unq 4 iso 0 dist 5.7232 5.59311 10.5425 7.75644 6.23615 9.21256 numMergedOcc 0
20 mol 133 unq 5 iso 0 dist 5.7232 9.22456 12.3753 7.75644 6.23615 8.3243 numMergedOcc 0
21 mol 151 unq 0 iso 0 dist 8.25396 8.29454 6.82905 9.10018 9.74969 12.2405 numMergedOcc 0
22 mol 183 unq 0 iso 0 dist 8.58404 8.1126 3.75614 5.78444 5.83335 7.86724 numMergedOcc 0
23 mol 183 unq 1 iso 0 dist 8.58404 8.1126 3.75614 13.2035 9.92635 7.85507 numMergedOcc 0
24 mol 183 unq 2 iso 0 dist 8.1126 8.58404 3.75614 5.7856 9.86506 11.3395 numMergedOcc 0
25 mol 183 unq 3 iso 0 dist 8.1126 8.58404 3.75614 5.78444 7.86724 5.83335 numMergedOcc 0
26 mol 183 unq 4 iso 0 dist 8.1126 8.58404 3.75614 13.2035 7.85507 9.92635 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 8.6011 9.44772 8.22777 12.1847 9.86348 15.2426 numMergedOcc 0
28 mol 197 unq 0 iso 0 dist 8.61953 7.91999 5.3979 4.31461 6.50727 7.84826 numMergedOcc 0
29 mol 197 unq 1 iso 0 dist 7.91999 8.61953 5.3979 4.31461 7.84826 6.50727 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 6.83539 9.58385 5.17942 8.16509 7.0795 11.3652 numMergedOcc 0
31 mol 225 unq 1 iso 0 dist 6.83539 6.22747 3.3846 8.16509 7.0795 9.76251 numMergedOcc 0
32 mol 225 unq 2 iso 0 dist 6.83539 9.21404 13.3606 8.16509 7.0795 17.2634 numMergedOcc 0
33 mol 225 unq 3 iso 0 dist 6.22747 9.58385 5.22094 8.16509 9.76251 11.3652 numMergedOcc 0
34 mol 225 unq 4 iso 0 dist 6.22747 6.83539 3.3846 8.16509 9.76251 7.0795 numMergedOcc 0
35 mol 225 unq 5 iso 0 dist 6.22747 9.21404 10.4457 8.16509 9.76251 17.2634 numMergedOcc 0
36 mol 258 unq 0 iso 0 dist 9.98868 8.6856 4.84513 11.1542 8.51287 10.1501 numMergedOcc 0
