0 mol 42 unq 0 iso 0 dist 8.71965 9.50568 13.3791 4.07433 8.52824 12.1904 10.2834 16.9326 5.52834 12.8112 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.91858 8.50028 4.63063 7.25937 8.40844 10.8175 5.19187 10.0291 7.45777 11.9439 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.91858 8.50028 4.63063 12.1332 7.02351 6.85356 5.19187 10.0291 7.45777 10.345 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.91858 8.50028 4.63063 14.2641 8.66342 7.32265 5.19187 10.0291 7.45777 14.1204 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 7.5442 8.50028 4.68175 7.25937 6.99156 10.8175 5.19187 9.27331 7.45777 11.9439 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 7.5442 8.50028 4.68175 14.2641 7.21285 7.32265 5.19187 9.27331 7.45777 14.1204 numMergedOcc 0
6 mol 87 unq 0 iso 0 dist 6.73874 9.99609 15.177 3.74583 8.33989 12.63 12.809 19.2368 9.90256 12.5999 numMergedOcc 0
7 mol 87 unq 1 iso 0 dist 6.73874 9.99609 15.177 3.74583 8.33989 12.63 8.37496 15.0785 7.57471 8.79293 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 6.24473 5.57391 4.74328 5.77364 8.23566 4.82346 4.73115 6.81741 8.68674 8.61334 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 6.30762 8.98949 10.1774 5.7687 7.8034 6.45169 12.1136 15.3607 6.08846 9.13134 numMergedOcc 0
10 mol 131 unq 1 iso 0 dist 6.30762 8.98949 10.1774 5.7687 7.8034 6.45169 15.0398 16.1827 9.19171 9.57821 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 9.91507 9.67331 10.6104 3.94348 9.21999 6.00896 4.92832 5.33543 9.88178 5.57607 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 8.94211 8.96503 12.6987 11.5025 7.14871 16.9001 4.79799 12.2445 5.86839 15.7377 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 8.77267 9.92349 13.0906 5.4891 9.56271 9.57625 11.12 12.22 5.25149 8.17619 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 8.77267 9.70779 4.56028 5.4891 9.56271 8.08702 11.12 12.22 8.6368 8.17619 numMergedOcc 0
15 mol 255 unq 0 iso 0 dist 5.17191 8.01663 6.41518 5.28877 6.61193 7.16286 9.80877 10.6136 7.57779 12.1115 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 8.85653 8.12646 11.304 8.44153 8.15805 14.6574 4.91933 10.1912 7.83793 8.58623 numMergedOcc 0
