0 mol 7 unq 0 iso 0 dist 5.77374 9.8603 5.70161 9.30196 6.0323 7.15434 15.8072 10.0459 8.72114 10.7937 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 9.8603 4.57188 13.63 8.85869 12.3221 15.8072 10.4728 8.72114 18.4406 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 10.1746 9.53901 14.2564 9.64095 7.42925 9.6782 13.4307 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 6.21423 9.44909 6.07691 9.23503 9.53901 14.2564 4.83412 7.42925 9.6782 13.4307 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.87177 8.06168 4.49951 12.5066 9.94312 12.4858 4.53047 7.45801 6.02816 9.37655 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 6.70925 8.67532 4.49951 4.71695 9.94312 12.4858 7.05537 7.45801 6.02816 9.37655 numMergedOcc 0
6 mol 101 unq 0 iso 0 dist 5.5199 5.22543 5.16122 5.2394 5.51185 8.97911 5.08458 9.83799 6.98314 9.70552 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.39253 6.40546 11.6714 7.49885 7.26463 13.2957 5.73999 13.5149 8.99399 11.3636 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.13872 9.58911 5.07895 7.56512 8.03259 6.58792 12.0718 10.0499 6.22122 6.56225 numMergedOcc 0
9 mol 212 unq 0 iso 0 dist 7.73701 8.062 9.7586 4.95466 6.41916 9.47932 4.69067 11.1328 9.74144 9.63106 numMergedOcc 0
10 mol 212 unq 1 iso 0 dist 7.73701 8.062 9.7586 4.95466 6.41916 9.47932 10.4595 15.1376 8.69988 10.6561 numMergedOcc 0
11 mol 212 unq 2 iso 0 dist 7.73701 8.062 9.7586 4.95466 6.41916 9.47932 14.0193 17.6988 8.55903 15.0782 numMergedOcc 0
12 mol 212 unq 3 iso 0 dist 7.73701 8.062 9.7586 4.95466 6.41916 9.47932 4.18086 11.1719 7.15603 7.56072 numMergedOcc 0
13 mol 243 unq 0 iso 0 dist 8.28364 6.86162 5.75876 9.10714 9.60437 12.5455 3.87679 10.5262 7.49645 12.9425 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 5.98006 8.06771 5.71237 7.8775 9.16791 13.8844 5.61261 9.69025 7.98231 13.1939 numMergedOcc 0
15 mol 265 unq 0 iso 0 dist 6.98812 7.04833 5.56416 7.40176 8.19772 11.7979 10.7881 7.49913 6.71375 11.7401 numMergedOcc 0
16 mol 274 unq 0 iso 0 dist 8.26851 6.55855 13.002 8.77987 7.24089 13.1605 6.70266 14.0223 9.45514 14.4743 numMergedOcc 0
17 mol 274 unq 1 iso 0 dist 8.26851 6.55855 13.002 8.77987 7.24089 13.1605 5.15747 9.67276 6.39866 7.11111 numMergedOcc 0
18 mol 274 unq 2 iso 0 dist 8.26851 6.55855 13.002 10.518 9.29005 11.1412 6.70266 14.0223 9.45514 17.0439 numMergedOcc 0
19 mol 274 unq 3 iso 0 dist 8.26851 6.55855 13.002 10.518 9.29005 11.1412 5.15747 9.67276 6.39866 6.84952 numMergedOcc 0
20 mol 274 unq 4 iso 0 dist 8.26851 9.52894 17.6855 8.77987 7.24089 16.9209 6.70266 14.0223 7.1729 14.4743 numMergedOcc 0
21 mol 274 unq 5 iso 0 dist 8.26851 9.52894 17.6855 10.518 9.29005 17.0072 6.70266 14.0223 7.1729 17.0439 numMergedOcc 0
22 mol 274 unq 6 iso 0 dist 8.14634 6.55855 10.2307 10.518 8.16746 11.1412 6.70266 14.0902 9.45514 17.0439 numMergedOcc 0
23 mol 274 unq 7 iso 0 dist 8.14634 6.55855 10.2307 10.518 8.16746 11.1412 5.15747 9.02661 6.39866 6.84952 numMergedOcc 0
24 mol 274 unq 8 iso 0 dist 8.14634 9.52894 16.0912 10.518 8.16746 17.0072 6.70266 14.0902 7.1729 17.0439 numMergedOcc 0
