0 mol 25 unq 0 iso 0 dist 8.41008 7.0928 12.4427 6.32132 8.23292 5.04899 11.7801 11.6867 8.87757 5.77929 numMergedOcc 0
1 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 9.65979 9.57498 6.45675 6.29383 12.7644 7.38135 7.11701 numMergedOcc 0
2 mol 100 unq 1 iso 0 dist 9.52282 5.09688 6.89762 12.2879 10.0165 7.47343 6.29383 12.7644 7.38135 11.2312 numMergedOcc 0
3 mol 100 unq 2 iso 0 dist 9.52282 5.09688 6.89762 10.2364 15.6218 8.86688 6.29383 12.7644 7.38135 7.79768 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 5.66196 5.87387 5.24877 6.4595 9.24515 7.5732 10.6075 11.4347 6.84011 7.436 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 6.78551 5.09114 6.28781 6.01457 11.9171 8.37808 10.5529 15.2006 9.23819 7.39059 numMergedOcc 0
6 mol 122 unq 1 iso 0 dist 6.78551 5.09114 6.28781 6.01457 11.9171 8.37808 9.32745 13.537 8.88537 5.0355 numMergedOcc 0
7 mol 125 unq 0 iso 0 dist 4.81596 8.38646 6.06241 6.5815 9.63302 8.62381 6.24872 7.00113 7.73435 7.43922 numMergedOcc 0
8 mol 125 unq 1 iso 0 dist 4.81596 8.38646 6.06241 6.5815 9.63302 8.62381 10.4668 9.85979 9.3778 11.0769 numMergedOcc 0
9 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 13.1328 10.482 5.83384 9.81728 7.32407 9.36851 10.7293 numMergedOcc 0
10 mol 129 unq 1 iso 0 dist 7.48833 8.14071 5.99695 13.1328 10.482 5.83384 6.95825 6.48695 4.97175 7.29399 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 8.2872 6.99089 7.46245 10.1742 13.9196 6.54501 10.0674 12.7936 7.80532 7.41674 numMergedOcc 0
12 mol 134 unq 1 iso 0 dist 8.2872 6.99089 7.46245 12.6542 13.403 6.49416 10.0674 12.7936 7.80532 9.87376 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 9.76501 8.72463 7.03272 14.0766 9.74381 5.99315 16.1752 12.8883 7.78652 6.48978 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 9.76501 8.72463 7.03272 14.0766 9.74381 5.99315 17.1567 14.2774 8.91301 5.20762 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 6.5782 6.64164 6.43506 5.361 7.83781 9.87651 10.2539 14.8898 9.67741 13.0123 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 7.03216 6.31492 9.72559 7.48422 9.36307 9.31746 7.00671 13.0317 6.73956 7.68794 numMergedOcc 0
17 mol 182 unq 1 iso 0 dist 7.03216 6.31492 9.72559 7.48422 9.36307 9.31746 11.1247 14.8787 7.09394 9.37404 numMergedOcc 0
18 mol 182 unq 2 iso 0 dist 9.42196 6.31492 13.9897 7.48422 15.8237 9.31746 7.00671 16.0013 6.73956 7.68794 numMergedOcc 0
19 mol 182 unq 3 iso 0 dist 9.42196 6.31492 13.9897 7.48422 15.8237 9.31746 11.1247 20.2474 7.09394 9.37404 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 9.67207 9.05666 15.8138 5.64431 11.6579 5.59424 5.76622 15.2501 8.77999 8.49529 numMergedOcc 0
21 mol 192 unq 1 iso 0 dist 9.67207 9.05666 15.8138 10.8223 16.8322 7.00794 5.76622 15.2501 8.77999 11.7523 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 14.1932 13.3627 8.13497 10.451 15.2931 7.98231 8.41846 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 9.33299 6.49599 7.32419 13.8605 12.9693 7.88519 10.451 15.2931 7.98231 8.81835 numMergedOcc 0
24 mol 259 unq 2 iso 0 dist 9.33299 9.47382 12.7868 13.8605 12.9693 7.46176 10.451 15.2931 7.08526 8.81835 numMergedOcc 0
25 mol 259 unq 3 iso 0 dist 9.49732 6.49599 11.0067 14.1932 16.342 8.13497 10.451 10.9688 7.98231 8.41846 numMergedOcc 0
26 mol 259 unq 4 iso 0 dist 9.49732 6.49599 11.0067 13.8605 13.6279 7.88519 10.451 10.9688 7.98231 8.81835 numMergedOcc 0
27 mol 259 unq 5 iso 0 dist 9.49732 9.47382 6.18571 13.8605 13.6279 7.46176 10.451 10.9688 7.08526 8.81835 numMergedOcc 0
