0 mol 2 unq 0 iso 0 dist 9.33282 5.5745 9.65859 9.10747 5.30708 6.32102 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.33282 5.5745 9.65859 9.45683 10.1529 7.91536 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.76332 8.46229 5.41626 8.77074 12.71 9.87669 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 9.96463 9.07663 13.8267 5.06897 11.4623 6.71685 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 9.32989 7.19021 6.22312 6.15568 4.4816 5.73693 numMergedOcc 0
5 mol 63 unq 0 iso 0 dist 7.89201 9.87719 4.49178 5.9644 5.44629 4.97423 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 6.88786 7.51075 7.1369 9.33051 7.11597 12.1447 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 9.81273 4.99966 10.6649 9.7171 16.1794 6.29991 numMergedOcc 0
8 mol 103 unq 1 iso 0 dist 6.67575 4.99966 6.35372 9.7171 8.20815 6.29991 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 9.44788 8.82535 7.64443 6.1835 6.40944 4.68219 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 9.44788 6.18763 6.83988 6.1835 6.40944 5.75886 numMergedOcc 0
11 mol 119 unq 2 iso 0 dist 9.44788 8.44385 14.8957 6.1835 6.40944 8.65129 numMergedOcc 0
12 mol 119 unq 3 iso 0 dist 9.44788 5.63005 12.1168 6.1835 6.40944 6.4739 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.63817 5.86531 6.73114 7.34386 9.36571 8.6769 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 9.86348 7.80299 5.85613 9.47421 15.0982 14.9475 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 6.2441 7.0843 9.92743 5.72444 5.18278 6.90702 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 6.2441 7.73315 12.0573 5.72444 5.18278 10.4526 numMergedOcc 0
17 mol 218 unq 2 iso 0 dist 6.2441 6.9398 8.31343 5.72444 5.18278 8.94041 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 8.63848 6.1197 4.98533 5.22349 5.48898 6.66384 numMergedOcc 0
19 mol 252 unq 1 iso 0 dist 8.63848 6.1197 4.98533 9.81593 13.368 14.2073 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 9.8799 7.36905 13.9464 8.28871 14.6311 4.48907 numMergedOcc 0
21 mol 264 unq 1 iso 0 dist 9.8799 6.83408 5.11257 8.28871 14.6311 10.1591 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 3.90274 8.12852 5.73592 6.64472 6.20504 6.03386 numMergedOcc 0
23 mol 266 unq 1 iso 0 dist 7.49024 8.12852 10.0067 6.64472 5.10413 6.03386 numMergedOcc 0
24 mol 274 unq 0 iso 0 dist 8.26851 6.55855 13.002 7.71972 12.4582 8.09454 numMergedOcc 0
25 mol 274 unq 1 iso 0 dist 8.26851 6.55855 13.002 9.76049 11.0889 14.1363 numMergedOcc 0
26 mol 274 unq 2 iso 0 dist 8.26851 9.52894 17.6855 7.71972 12.4582 10.0424 numMergedOcc 0
27 mol 274 unq 3 iso 0 dist 8.26851 9.52894 17.6855 9.76049 11.0889 15.375 numMergedOcc 0
28 mol 274 unq 4 iso 0 dist 8.14634 6.55855 10.2307 7.71972 10.2262 8.09454 numMergedOcc 0
29 mol 274 unq 5 iso 0 dist 8.14634 6.55855 10.2307 9.76049 11.8055 14.1363 numMergedOcc 0
30 mol 274 unq 6 iso 0 dist 8.14634 9.52894 16.0912 7.71972 10.2262 10.0424 numMergedOcc 0
31 mol 274 unq 7 iso 0 dist 8.14634 9.52894 16.0912 9.76049 11.8055 15.375 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 8.00159 8.11838 5.17381 5.70326 7.29318 4.67953 numMergedOcc 0
33 mol 277 unq 1 iso 0 dist 8.00159 7.88897 5.89928 5.70326 7.29318 8.29849 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 8.34389 7.26542 6.29899 9.60904 7.72591 6.7501 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 8.34389 7.26542 6.29899 9.60904 7.72591 6.7501 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 8.34389 7.26542 6.29899 9.60904 7.72591 6.7501 numMergedOcc 0
