0 mol 10 unq 0 iso 0 dist 7.57901 9.05199 8.44864 5.02729 5.59965 5.94361 5.76822 9.43029 4.87706 4.99208 numMergedOcc 0
1 mol 12 unq 0 iso 0 dist 6.05244 11.812 9.25493 5.92892 5.76024 5.97178 10.7889 9.90835 3.92728 5.21529 numMergedOcc 0
2 mol 12 unq 1 iso 0 dist 6.05244 11.812 9.25493 4.80294 7.92714 10.229 10.7889 9.90835 3.92728 9.7731 numMergedOcc 0
3 mol 12 unq 2 iso 0 dist 6.05244 11.812 9.25493 10.6891 8.47217 7.00379 10.7889 9.90835 3.92728 5.41989 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.69142 7.54726 9.27369 13.7478 6.93197 12.8556 4.18634 6.07276 5.23054 10.1622 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 9.01993 14.7592 8.99751 11.194 7.35861 9.62452 6.14353 9.36924 13.4787 6.88067 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 9.01993 15.6317 9.30674 11.194 7.35861 7.40218 6.14353 9.36924 12.9136 6.88067 numMergedOcc 0
7 mol 26 unq 3 iso 0 dist 9.01993 14.4804 8.25567 11.194 7.35861 3.9882 6.14353 9.36924 10.8015 6.88067 numMergedOcc 0
8 mol 26 unq 4 iso 0 dist 8.43523 12.5131 9.27369 11.2171 6.93197 12.8556 12.7209 6.07276 5.23054 10.1622 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 6.27321 5.16912 7.07989 11.3732 6.74766 8.57904 3.62638 7.98985 6.4113 12.5617 numMergedOcc 0
10 mol 68 unq 1 iso 0 dist 6.27321 14.5387 9.77272 11.3732 6.74766 4.05011 3.62638 7.98985 16.2411 12.5617 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 9.86487 6.92638 5.42828 11.57 7.80873 6.62328 4.9759 8.72725 3.61827 8.72143 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 9.86487 6.92638 5.42828 11.57 7.80873 6.62328 6.59976 6.11407 3.78964 5.08111 numMergedOcc 0
13 mol 113 unq 0 iso 0 dist 8.49444 4.77108 9.66068 13.2576 6.6317 14.6132 9.55465 9.30645 8.60362 9.74974 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 6.71675 3.76321 8.95598 11.5379 7.54099 12.4352 8.04827 7.81263 6.60692 7.81466 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 7.51337 13.8982 9.79381 7.6183 8.37739 9.51443 4.36059 6.94762 11.9758 3.94409 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 7.51337 13.8982 9.79381 7.6183 8.37739 9.51443 14.1026 9.89167 3.69148 8.31193 numMergedOcc 0
17 mol 225 unq 2 iso 0 dist 7.51337 13.8982 9.79381 11.0788 9.47237 9.52516 4.36059 6.94762 11.9758 6.88465 numMergedOcc 0
18 mol 225 unq 3 iso 0 dist 7.51337 13.8982 9.79381 11.0788 9.47237 9.52516 14.1026 9.89167 3.69148 6.8122 numMergedOcc 0
19 mol 225 unq 4 iso 0 dist 7.51337 14.2286 8.37379 7.6183 8.37739 11.2979 4.36059 6.94762 12.7552 3.94409 numMergedOcc 0
20 mol 225 unq 5 iso 0 dist 7.51337 14.2286 8.37379 7.6183 8.37739 11.2979 14.1026 9.89167 5.69755 8.31193 numMergedOcc 0
21 mol 225 unq 6 iso 0 dist 7.51337 14.2286 8.37379 11.0788 9.47237 11.0488 4.36059 6.94762 12.7552 6.88465 numMergedOcc 0
22 mol 225 unq 7 iso 0 dist 7.51337 14.2286 8.37379 11.0788 9.47237 11.0488 14.1026 9.89167 5.69755 6.8122 numMergedOcc 0
23 mol 256 unq 0 iso 0 dist 5.58036 7.35186 5.66817 10.8477 6.33496 7.4144 5.52853 6.85663 8.00048 8.60707 numMergedOcc 0
24 mol 256 unq 1 iso 0 dist 5.58036 7.35186 5.66817 9.95403 6.00636 3.86625 5.52853 6.85663 8.00048 9.39697 numMergedOcc 0
25 mol 256 unq 2 iso 0 dist 5.58036 7.35186 5.66817 7.21464 7.81448 11.0891 5.52853 6.85663 8.00048 4.05082 numMergedOcc 0
26 mol 256 unq 3 iso 0 dist 5.58036 7.35186 5.66817 10.4702 8.54499 11.854 5.52853 6.85663 8.00048 6.63324 numMergedOcc 0
27 mol 260 unq 0 iso 0 dist 4.76698 9.30964 5.68717 11.9795 9.32954 7.55193 4.87707 6.75725 9.0549 9.07649 numMergedOcc 0
28 mol 260 unq 1 iso 0 dist 4.76698 9.30964 5.68717 11.9795 9.32954 7.55193 14.0463 9.31888 6.73886 9.46408 numMergedOcc 0
