0 mol 6 unq 0 iso 0 dist 4.75521 9.29636 5.15774 5.71373 8.36949 10.4693 numMergedOcc 0
1 mol 6 unq 1 iso 0 dist 4.75521 9.29636 5.15774 4.52637 8.8273 12.9737 numMergedOcc 0
2 mol 42 unq 0 iso 0 dist 8.71965 9.50568 13.3791 4.07433 8.52824 12.1904 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 7.62977 7.6314 5.55161 6.48194 5.62629 7.87739 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 7.62977 7.6314 5.55161 6.8129 6.15118 10.4637 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.91858 8.50028 4.63063 7.25937 8.40844 10.8175 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.91858 8.50028 4.63063 12.1332 7.02351 6.85356 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 8.91858 8.50028 4.63063 14.2641 8.66342 7.32265 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 7.5442 8.50028 4.68175 7.25937 6.99156 10.8175 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 7.5442 8.50028 4.68175 14.2641 7.21285 7.32265 numMergedOcc 0
10 mol 87 unq 0 iso 0 dist 6.73874 9.99609 15.177 3.74583 8.33989 12.63 numMergedOcc 0
11 mol 87 unq 1 iso 0 dist 6.73874 7.08616 5.80857 3.74583 8.33989 7.10886 numMergedOcc 0
12 mol 87 unq 2 iso 0 dist 6.73874 7.83182 10.5488 3.74583 8.33989 7.83828 numMergedOcc 0
13 mol 89 unq 0 iso 0 dist 5.37527 9.48297 4.94782 10.5526 9.14778 13.2125 numMergedOcc 0
14 mol 99 unq 0 iso 0 dist 6.24473 5.57391 4.74328 5.77364 8.23566 4.82346 numMergedOcc 0
15 mol 110 unq 0 iso 0 dist 9.35378 8.38998 9.32628 11.9918 8.97683 16.5813 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 6.30762 8.98949 10.1774 5.7687 7.8034 6.45169 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 6.90904 6.53862 5.32245 7.587 6.89564 9.82274 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.91507 9.67331 10.6104 3.94348 9.21999 6.00896 numMergedOcc 0
19 mol 199 unq 0 iso 0 dist 9.74632 6.27016 10.9509 9.81805 8.27889 13.0318 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 8.94211 8.96503 12.6987 11.5025 7.14871 16.9001 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 8.77267 9.92349 13.0906 5.4891 9.56271 9.57625 numMergedOcc 0
22 mol 220 unq 1 iso 0 dist 8.77267 9.70779 4.56028 5.4891 9.56271 8.08702 numMergedOcc 0
23 mol 255 unq 0 iso 0 dist 5.17191 8.01663 6.41518 5.28877 6.61193 7.16286 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 8.85653 8.12646 11.304 8.44153 8.15805 14.6574 numMergedOcc 0
