0 mol 20 unq 0 iso 0 dist 8.71628 6.81416 6.31611 5.06894 5.9809 8.25405 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 5.97065 8.8533 4.80984 4.18634 5.84066 6.73167 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 5.97065 8.8533 4.80984 13.421 11.8063 7.40948 numMergedOcc 0
3 mol 34 unq 0 iso 0 dist 5.73257 8.8717 8.15141 6.65242 8.63635 9.58596 numMergedOcc 0
4 mol 112 unq 0 iso 0 dist 6.85365 5.9819 9.06991 10.5025 12.244 5.43933 numMergedOcc 0
5 mol 112 unq 1 iso 0 dist 6.85365 5.9819 9.06991 9.50897 13.9563 4.99604 numMergedOcc 0
6 mol 112 unq 2 iso 0 dist 6.85365 5.9819 9.06991 13.6247 15.3174 9.97483 numMergedOcc 0
7 mol 112 unq 3 iso 0 dist 6.85365 5.9819 9.06991 4.9759 8.91262 7.44041 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 9.81998 7.03633 9.07138 9.31342 16.7582 9.12084 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 5.98435 5.8367 8.05714 4.4987 10.0977 8.48313 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 5.98435 5.8367 8.05714 4.72407 6.44575 6.99345 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 5.98435 5.8367 8.05714 7.97297 7.43401 5.11043 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 8.80672 5.8367 13.6926 4.4987 6.57379 8.48313 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 8.80672 5.8367 13.6926 4.72407 11.8267 6.99345 numMergedOcc 0
14 mol 134 unq 5 iso 0 dist 8.80672 5.8367 13.6926 7.97297 16.4934 5.11043 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 5.81632 6.03116 8.33921 13.1744 14.6576 9.82982 numMergedOcc 0
16 mol 193 unq 0 iso 0 dist 6.70883 9.19696 5.91268 9.77891 10.4153 7.39445 numMergedOcc 0
17 mol 195 unq 0 iso 0 dist 8.64561 8.22643 5.15519 9.54898 11.2434 6.34234 numMergedOcc 0
18 mol 195 unq 1 iso 0 dist 8.64561 8.22643 5.15519 11.5968 9.74988 7.87972 numMergedOcc 0
19 mol 229 unq 0 iso 0 dist 9.81585 7.09453 13.48 5.06475 13.5873 6.42694 numMergedOcc 0
20 mol 229 unq 1 iso 0 dist 9.81585 7.09453 13.48 10.6529 19.0009 7.63917 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 9.50619 8.2776 5.32038 9.31424 5.7791 9.65775 numMergedOcc 0
22 mol 260 unq 1 iso 0 dist 9.50619 8.2776 5.32038 10.8164 14.574 9.50634 numMergedOcc 0
23 mol 264 unq 0 iso 0 dist 5.50677 9.91954 13.2809 10.6477 12.5559 6.02757 numMergedOcc 0
24 mol 264 unq 1 iso 0 dist 5.50677 9.91954 13.2809 10.998 14.0426 8.67231 numMergedOcc 0
25 mol 264 unq 2 iso 0 dist 8.75957 9.91954 10.9186 10.6477 9.82469 6.02757 numMergedOcc 0
26 mol 264 unq 3 iso 0 dist 8.75957 9.91954 10.9186 10.998 13.4686 8.67231 numMergedOcc 0
27 mol 272 unq 0 iso 0 dist 6.27189 5.84259 4.61146 5.87335 6.95241 9.30437 numMergedOcc 0
