0 mol 26 unq 0 iso 0 dist 8.36742 8.90517 8.97754 14.3774 11.5008 9.12845 numMergedOcc 0
1 mol 39 unq 0 iso 0 dist 8.82943 7.71511 8.68887 5.00126 5.20561 8.70192 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 8.99393 6.97552 5.4713 14.8482 10.6814 9.9787 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 7.62814 13.2646 9.41463 10.9482 6.91496 7.16132 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.55023 15.057 9.63906 19.5804 12.0839 6.17207 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 4.39888 8.48041 9.63906 12.9872 12.0839 6.17207 numMergedOcc 0
6 mol 68 unq 2 iso 0 dist 5.29595 8.48041 7.71872 12.9872 10.0156 6.17207 numMergedOcc 0
7 mol 69 unq 0 iso 0 dist 9.13024 6.98976 9.08745 11.7488 8.67853 5.99857 numMergedOcc 0
8 mol 69 unq 1 iso 0 dist 9.13024 6.98976 9.08745 7.62791 10.8149 6.9362 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 9.78342 6.76244 9.67744 8.91446 3.5172 9.22631 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 7.70636 10.5814 9.87354 11.4333 5.49724 8.28795 numMergedOcc 0
11 mol 116 unq 1 iso 0 dist 6.82267 15.5585 9.87354 11.0982 5.49724 8.28795 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 7.62945 9.55695 9.34653 10.0278 4.04122 7.2793 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.27988 7.41929 4.97301 13.3872 6.49049 6.52816 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.33245 11.0888 6.39673 13.0107 6.70898 6.74196 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 8.33245 6.80198 7.80676 13.0107 6.70898 8.36842 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 7.54349 7.44658 7.62991 13.0796 9.73449 7.15764 numMergedOcc 0
17 mol 252 unq 1 iso 0 dist 7.38867 8.846 9.81261 13.4304 9.93981 7.15764 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 9.26331 4.97003 8.55386 10.4883 8.3189 5.90924 numMergedOcc 0
19 mol 264 unq 1 iso 0 dist 9.26331 4.97003 8.55386 6.85672 3.35448 5.90058 numMergedOcc 0
20 mol 264 unq 2 iso 0 dist 9.26331 4.97003 8.55386 13.9604 16.639 9.58916 numMergedOcc 0
21 mol 285 unq 0 iso 0 dist 8.38399 13.1313 7.73438 13.4993 8.33646 7.80862 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 9.57637 8.58414 4.93516 13.1539 3.65199 7.45616 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 9.57637 8.58414 4.93516 13.1539 3.65199 7.45616 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 9.57637 8.58414 4.93516 13.1539 3.65199 7.45616 numMergedOcc 0
