0 mol 25 unq 0 iso 0 dist 8.41008 7.0928 12.4427 11.7801 11.6867 8.87757 numMergedOcc 0
1 mol 65 unq 0 iso 0 dist 9.1487 9.38611 5.38234 4.91428 8.54555 6.76508 numMergedOcc 0
2 mol 65 unq 1 iso 0 dist 9.1487 9.38611 5.38234 7.66509 7.0386 8.22785 numMergedOcc 0
3 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 6.29383 12.7644 7.38135 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 5.66196 5.87387 5.24877 10.6075 11.4347 6.84011 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 6.78551 5.09114 6.28781 10.5529 15.2006 9.23819 numMergedOcc 0
6 mol 122 unq 1 iso 0 dist 6.78551 5.09114 6.28781 9.32745 13.537 8.88537 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 4.81596 8.38646 6.06241 6.24872 7.00113 7.73435 numMergedOcc 0
8 mol 125 unq 1 iso 0 dist 4.81596 8.38646 6.06241 10.4668 9.85979 9.3778 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 9.81728 7.32407 9.36851 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 7.48833 8.14071 5.99695 6.95825 6.48695 4.97175 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.2872 6.99089 7.46245 10.0674 12.7936 7.80532 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 9.76501 8.72463 7.03272 16.1752 12.8883 7.78652 numMergedOcc 0
13 mol 143 unq 1 iso 0 dist 9.76501 8.72463 7.03272 17.1567 14.2774 8.91301 numMergedOcc 0
14 mol 148 unq 0 iso 0 dist 8.60157 9.7168 5.77745 6.57631 6.86997 9.99156 numMergedOcc 0
15 mol 148 unq 1 iso 0 dist 8.60157 9.7168 5.77745 8.40891 7.46919 8.18085 numMergedOcc 0
16 mol 148 unq 2 iso 0 dist 6.72591 9.7168 12.9245 6.57631 11.5345 9.99156 numMergedOcc 0
17 mol 148 unq 3 iso 0 dist 6.72591 9.7168 12.9245 8.40891 14.2261 8.18085 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 8.59359 9.61132 5.71213 6.56068 6.79381 9.8656 numMergedOcc 0
19 mol 150 unq 1 iso 0 dist 8.59359 9.61132 5.71213 8.32178 7.36989 7.94889 numMergedOcc 0
20 mol 150 unq 2 iso 0 dist 6.80192 9.61132 12.8684 6.56068 11.5855 9.8656 numMergedOcc 0
21 mol 150 unq 3 iso 0 dist 6.80192 9.61132 12.8684 8.32178 14.2195 7.94889 numMergedOcc 0
22 mol 167 unq 0 iso 0 dist 6.5782 6.64164 6.43506 10.2539 14.8898 9.67741 numMergedOcc 0
23 mol 168 unq 0 iso 0 dist 6.89643 6.60477 6.49186 5.44019 10.171 7.44629 numMergedOcc 0
24 mol 182 unq 0 iso 0 dist 7.03216 6.31492 9.72559 7.00671 13.0317 6.73956 numMergedOcc 0
25 mol 182 unq 1 iso 0 dist 7.03216 6.31492 9.72559 11.1247 14.8787 7.09394 numMergedOcc 0
26 mol 182 unq 2 iso 0 dist 9.42196 6.31492 13.9897 7.00671 16.0013 6.73956 numMergedOcc 0
27 mol 182 unq 3 iso 0 dist 9.42196 6.31492 13.9897 11.1247 20.2474 7.09394 numMergedOcc 0
28 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 5.76622 15.2501 8.77999 numMergedOcc 0
29 mol 198 unq 0 iso 0 dist 7.83611 5.80867 11.3233 6.42799 14.2415 6.34616 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 10.451 15.2931 7.98231 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 9.33299 9.47382 12.7868 10.451 15.2931 7.08526 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 9.49732 6.49599 11.0067 10.451 10.9688 7.98231 numMergedOcc 0
33 mol 259 unq 3 iso 0 dist 9.49732 9.47382 6.18571 10.451 10.9688 7.08526 numMergedOcc 0
34 mol 284 unq 0 iso 0 dist 9.75137 9.27402 5.36955 15.7062 13.0873 9.33437 numMergedOcc 0
35 mol 284 unq 1 iso 0 dist 9.75137 9.26573 10.6793 15.7062 13.0873 7.8343 numMergedOcc 0
36 mol 292 unq 0 iso 0 dist 9.20553 6.8133 9.63504 7.95758 15.8761 7.83341 numMergedOcc 0
