0 mol 12 unq 0 iso 0 dist 6.05244 6.65672 6.55567 10.7889 9.90835 15.7243 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 5.21143 8.36009 9.0513 13.6328 9.07213 15.1514 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.01993 7.39066 6.36636 6.14353 9.36924 10.8347 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 8.12513 5.23918 6.64571 12.0488 5.96231 11.8822 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 6.27321 4.9983 3.99506 3.62638 7.98985 5.64092 numMergedOcc 0
5 mol 96 unq 0 iso 0 dist 5.19438 6.93203 6.53944 5.30464 9.13187 10.7891 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 8.65004 6.79584 7.45152 10.5025 7.67238 9.24706 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 9.86487 6.79584 16.6124 4.9759 8.72725 10.3476 numMergedOcc 0
8 mol 112 unq 2 iso 0 dist 9.86487 6.79584 16.6124 6.59976 6.11407 12.5008 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 9.95168 7.12662 10.5341 6.24319 7.8929 10.7951 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 9.95168 9.38 15.3866 6.24319 7.8929 14.0555 numMergedOcc 0
11 mol 128 unq 2 iso 0 dist 4.89256 7.66528 6.30769 6.15201 9.59437 13.1048 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 8.59976 7.07933 5.68902 6.43144 6.0859 9.06172 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 8.59976 7.07933 5.68902 6.37039 6.05009 8.93091 numMergedOcc 0
14 mol 169 unq 2 iso 0 dist 9.71763 7.07933 3.83687 6.43144 9.15283 9.06172 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 6.71675 9.98096 4.79971 8.04827 7.81263 12.5326 numMergedOcc 0
16 mol 184 unq 1 iso 0 dist 6.71675 8.24035 5.05856 8.04827 7.81263 12.4197 numMergedOcc 0
17 mol 184 unq 2 iso 0 dist 6.71675 8.77932 5.69882 8.04827 7.81263 7.25623 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.19189 9.6283 5.70845 12.9635 9.99396 13.0128 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 8.34668 8.86574 15.131 4.68208 9.99396 11.9226 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 6.67938 8.15587 6.52211 9.16346 9.48625 15.1924 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 5.58036 7.53873 4.26681 5.52853 6.85663 9.84242 numMergedOcc 0
22 mol 260 unq 0 iso 0 dist 4.76698 4.54064 3.60349 4.87707 6.75725 8.51564 numMergedOcc 0
23 mol 260 unq 1 iso 0 dist 4.76698 4.54064 3.60349 14.0463 9.31888 11.5762 numMergedOcc 0
