0 mol 24 unq 0 iso 0 dist 8.15652 8.8555 4.87192 15.461 9.65174 7.19357 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.44893 5.09348 4.87192 4.30555 9.65174 7.19357 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 6.40398 12.0105 7.57624 7.69013 7.78893 7.63516 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 6.40398 12.0105 7.57624 11.7275 5.85146 3.68767 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 9.9387 6.38149 7.04752 14.2274 9.67274 8.20377 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 6.90574 13.2471 6.63857 11.2375 4.72339 5.39108 numMergedOcc 0
6 mol 111 unq 1 iso 0 dist 6.90574 13.2471 6.63857 10.673 6.48902 7.4253 numMergedOcc 0
7 mol 111 unq 2 iso 0 dist 6.90574 13.2471 6.63857 6.87591 7.21505 13.201 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 8.51895 9.41764 8.34503 8.67179 4.48699 4.86495 numMergedOcc 0
9 mol 131 unq 1 iso 0 dist 8.51895 11.9667 5.70499 8.67179 4.48699 3.38209 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 6.76066 6.26585 6.08508 10.2485 7.61231 4.12949 numMergedOcc 0
11 mol 182 unq 0 iso 0 dist 9.94949 16.6605 9.04642 7.33017 9.19506 16.5799 numMergedOcc 0
12 mol 182 unq 1 iso 0 dist 9.94949 16.6605 9.04642 11.9628 9.94904 11.3731 numMergedOcc 0
13 mol 182 unq 2 iso 0 dist 9.94949 16.6605 9.04642 13.6283 9.30893 5.85967 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 9.88251 5.58553 6.61806 11.0081 5.19567 5.73483 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 9.88251 9.00592 7.85966 11.0081 5.19567 12.2139 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 6.47064 12.6326 7.74885 7.72583 7.83105 9.09582 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 6.47064 12.6326 7.74885 11.7343 5.63025 3.83847 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 8.62351 11.1756 6.77555 14.4633 9.76731 15.1194 numMergedOcc 0
19 mol 252 unq 1 iso 0 dist 8.62351 11.1756 6.77555 12.2716 8.38599 10.8739 numMergedOcc 0
20 mol 252 unq 2 iso 0 dist 9.45457 11.7426 8.62955 5.45887 8.38453 13.3681 numMergedOcc 0
21 mol 252 unq 3 iso 0 dist 6.94319 5.43646 6.77555 12.6745 9.76731 15.1194 numMergedOcc 0
22 mol 252 unq 4 iso 0 dist 6.94319 5.43646 6.77555 9.62252 8.38599 10.8739 numMergedOcc 0
