0 mol 24 unq 0 iso 0 dist 6.03041 10.4706 4.87192 5.11382 7.19357 9.65174 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 7.64064 5.85197 7.37857 8.06843 4.23443 6.31089 numMergedOcc 0
2 mol 28 unq 1 iso 0 dist 7.64064 7.47027 4.7978 8.06843 4.23443 7.07502 numMergedOcc 0
3 mol 28 unq 2 iso 0 dist 8.52826 5.85197 8.08195 8.06843 5.4811 6.31089 numMergedOcc 0
4 mol 28 unq 3 iso 0 dist 8.52826 5.11301 5.78587 8.06843 5.4811 8.48468 numMergedOcc 0
5 mol 30 unq 0 iso 0 dist 7.54056 5.24517 7.57624 9.39194 7.63516 7.78893 numMergedOcc 0
6 mol 30 unq 1 iso 0 dist 7.54056 5.24517 7.57624 7.30322 3.68767 5.85146 numMergedOcc 0
7 mol 30 unq 2 iso 0 dist 8.62106 15.5245 7.57624 14.3136 7.63516 7.78893 numMergedOcc 0
8 mol 30 unq 3 iso 0 dist 8.62106 15.5245 7.57624 11.4384 3.68767 5.85146 numMergedOcc 0
9 mol 107 unq 0 iso 0 dist 9.24821 8.88418 6.36246 12.4102 3.35244 7.82303 numMergedOcc 0
10 mol 159 unq 0 iso 0 dist 9.86323 11.4951 9.37298 11.3847 4.31404 8.12238 numMergedOcc 0
11 mol 163 unq 0 iso 0 dist 9.83117 15.1824 7.27002 13.1651 7.82355 9.40912 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 6.49095 9.90182 9.04642 17.1598 16.5799 9.19506 numMergedOcc 0
13 mol 182 unq 1 iso 0 dist 6.49095 9.90182 9.04642 13.3345 11.3731 9.94904 numMergedOcc 0
14 mol 182 unq 2 iso 0 dist 6.49095 9.90182 9.04642 10.6765 5.85967 9.30893 numMergedOcc 0
15 mol 182 unq 3 iso 0 dist 6.49095 6.38456 6.03308 13.3345 11.3731 8.62437 numMergedOcc 0
16 mol 182 unq 4 iso 0 dist 6.49095 6.38456 6.03308 10.6765 5.85967 7.07405 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 6.4064 9.29266 6.96113 7.42696 3.07409 5.71872 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 9.44052 10.5732 7.9637 11.6041 5.18849 7.88501 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 9.44052 10.5732 7.9637 17.64 10.0163 9.09585 numMergedOcc 0
20 mol 218 unq 0 iso 0 dist 6.59468 9.82261 6.45821 9.08818 3.33782 5.4621 numMergedOcc 0
21 mol 218 unq 1 iso 0 dist 6.59468 9.82261 6.45821 11.1546 9.06704 8.91819 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 7.02381 5.33482 7.74885 9.64987 9.09582 7.83105 numMergedOcc 0
23 mol 230 unq 1 iso 0 dist 7.02381 5.33482 7.74885 7.12149 3.83847 5.63025 numMergedOcc 0
