0 mol 41 unq 0 iso 0 dist 6.68599 5.36895 8.61524 6.85618 13.4217 9.17982 numMergedOcc 0
1 mol 41 unq 1 iso 0 dist 6.68599 5.36895 8.61524 8.25624 13.4058 9.62869 numMergedOcc 0
2 mol 41 unq 2 iso 0 dist 6.68599 5.36895 8.61524 5.36021 10.7309 6.40219 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 7.19567 8.90024 14.2671 16.9091 22.8445 9.02471 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.34433 8.90024 12.0037 16.9091 16.2318 9.02471 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 9.93275 9.29446 9.54341 13.5358 14.6801 7.69072 numMergedOcc 0
6 mol 95 unq 0 iso 0 dist 5.84349 7.90775 4.33346 6.56529 9.02905 7.51733 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.15949 6.71345 5.24877 11.5242 13.8371 9.93438 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 8.80779 7.73769 7.64386 11.099 14.1646 8.64905 numMergedOcc 0
9 mol 178 unq 0 iso 0 dist 9.3355 8.04723 13.6129 12.3914 18.2521 4.72821 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 7.21766 7.94344 3.99247 10.313 11.5089 9.06459 numMergedOcc 0
11 mol 232 unq 0 iso 0 dist 9.10154 7.57253 5.45696 11.393 13.7132 8.25985 numMergedOcc 0
12 mol 232 unq 1 iso 0 dist 9.10154 7.57253 5.45696 7.05941 13.7024 9.27788 numMergedOcc 0
13 mol 252 unq 0 iso 0 dist 5.41885 7.91348 5.96471 5.45887 9.09279 8.55044 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 6.20998 6.95233 5.98169 4.5731 4.95415 9.29666 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 8.78219 6.95233 13.8919 4.5731 6.38519 9.29666 numMergedOcc 0
16 mol 285 unq 0 iso 0 dist 8.17214 8.33653 5.93692 7.76515 6.07843 6.71946 numMergedOcc 0
17 mol 285 unq 1 iso 0 dist 8.17214 8.33653 5.93692 5.12725 11.1685 8.28061 numMergedOcc 0
18 mol 285 unq 2 iso 0 dist 8.17214 8.33653 5.93692 7.52611 9.66678 5.03601 numMergedOcc 0
19 mol 285 unq 3 iso 0 dist 4.49395 6.44657 9.237 11.6832 14.144 6.71946 numMergedOcc 0
20 mol 285 unq 4 iso 0 dist 4.49395 6.44657 9.237 6.73715 9.30119 8.28061 numMergedOcc 0
21 mol 285 unq 5 iso 0 dist 4.49395 6.44657 9.237 5.32175 7.08681 5.03601 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 4.98604 7.95849 5.10722 7.22067 8.73403 9.76232 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 4.98604 7.95849 5.10722 7.22067 8.73403 9.76232 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 4.98604 7.95849 5.10722 7.22067 8.73403 9.76232 numMergedOcc 0
