0 mol 24 unq 0 iso 0 dist 5.47982 11.6836 9.41655 8.02322 6.803 4.10458 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 5.47982 8.02322 6.803 11.6836 9.41655 4.10458 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 7.57624 7.63516 7.78893 3.68767 5.85146 9.19346 numMergedOcc 0
3 mol 30 unq 0 iso 1 dist 7.57624 3.68767 5.85146 7.63516 7.78893 9.19346 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 5.01135 3.3303 5.54554 5.54746 6.84514 8.33924 numMergedOcc 0
5 mol 48 unq 0 iso 1 dist 5.01135 5.54746 6.84514 3.3303 5.54554 8.33924 numMergedOcc 0
6 mol 48 unq 1 iso 0 dist 5.01135 3.3303 5.54554 8.51393 8.95402 6.91279 numMergedOcc 0
7 mol 48 unq 1 iso 1 dist 5.01135 8.51393 8.95402 3.3303 5.54554 6.91279 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 5.01135 5.54746 6.84514 8.51393 8.95402 10.0905 numMergedOcc 0
9 mol 48 unq 1 iso 1 dist 5.01135 8.51393 8.95402 5.54746 6.84514 10.0905 numMergedOcc 0
10 mol 48 unq 2 iso 0 dist 5.20384 3.41312 5.5232 5.76412 7.05619 8.45701 numMergedOcc 0
11 mol 48 unq 2 iso 1 dist 5.20384 5.76412 7.05619 3.41312 5.5232 8.45701 numMergedOcc 0
12 mol 111 unq 0 iso 0 dist 6.63857 5.39108 4.72339 7.4253 6.48902 6.94371 numMergedOcc 0
13 mol 111 unq 0 iso 1 dist 6.63857 7.4253 6.48902 5.39108 4.72339 6.94371 numMergedOcc 0
14 mol 111 unq 1 iso 0 dist 6.63857 5.39108 4.72339 13.201 7.21505 8.72808 numMergedOcc 0
15 mol 111 unq 1 iso 1 dist 6.63857 13.201 7.21505 5.39108 4.72339 8.72808 numMergedOcc 0
16 mol 111 unq 1 iso 0 dist 6.63857 7.4253 6.48902 13.201 7.21505 10.4972 numMergedOcc 0
17 mol 111 unq 1 iso 1 dist 6.63857 13.201 7.21505 7.4253 6.48902 10.4972 numMergedOcc 0
18 mol 141 unq 0 iso 0 dist 8.88404 6.0189 5.4206 11.0197 9.56763 5.71798 numMergedOcc 0
19 mol 141 unq 0 iso 1 dist 8.88404 11.0197 9.56763 6.0189 5.4206 5.71798 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 9.04642 16.5799 9.19506 11.3731 9.94904 9.21043 numMergedOcc 0
21 mol 182 unq 0 iso 1 dist 9.04642 11.3731 9.94904 16.5799 9.19506 9.21043 numMergedOcc 0
22 mol 182 unq 1 iso 0 dist 9.04642 16.5799 9.19506 5.85967 9.30893 13.7057 numMergedOcc 0
23 mol 182 unq 1 iso 1 dist 9.04642 5.85967 9.30893 16.5799 9.19506 13.7057 numMergedOcc 0
24 mol 182 unq 1 iso 0 dist 9.04642 11.3731 9.94904 5.85967 9.30893 6.78442 numMergedOcc 0
25 mol 182 unq 1 iso 1 dist 9.04642 5.85967 9.30893 11.3731 9.94904 6.78442 numMergedOcc 0
26 mol 182 unq 2 iso 0 dist 6.03308 11.3731 8.62437 5.85967 7.07405 6.78442 numMergedOcc 0
27 mol 182 unq 2 iso 1 dist 6.03308 5.85967 7.07405 11.3731 8.62437 6.78442 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 7.9637 5.18849 7.88501 10.0163 9.09585 7.59605 numMergedOcc 0
29 mol 186 unq 0 iso 1 dist 7.9637 10.0163 9.09585 5.18849 7.88501 7.59605 numMergedOcc 0
30 mol 218 unq 0 iso 0 dist 6.45821 3.33782 5.4621 9.06704 8.91819 6.94905 numMergedOcc 0
31 mol 218 unq 0 iso 1 dist 6.45821 9.06704 8.91819 3.33782 5.4621 6.94905 numMergedOcc 0
32 mol 230 unq 0 iso 0 dist 7.74885 9.09582 7.83105 3.83847 5.63025 9.60716 numMergedOcc 0
33 mol 230 unq 0 iso 1 dist 7.74885 3.83847 5.63025 9.09582 7.83105 9.60716 numMergedOcc 0
34 mol 237 unq 0 iso 0 dist 8.32964 16.3355 8.96803 5.16567 7.95072 16.0493 numMergedOcc 0
35 mol 237 unq 0 iso 1 dist 8.32964 5.16567 7.95072 16.3355 8.96803 16.0493 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 6.77555 15.1194 9.76731 10.8739 8.38599 6.82915 numMergedOcc 0
37 mol 252 unq 0 iso 1 dist 6.77555 10.8739 8.38599 15.1194 9.76731 6.82915 numMergedOcc 0
