0 mol 25 unq 0 iso 0 dist 8.41008 7.0928 12.4427 6.04822 11.7739 5.03027 11.7801 11.6867 8.87757 12.7995 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.41008 7.0928 12.4427 7.72717 9.6251 8.17061 11.7801 11.6867 8.87757 13.3492 numMergedOcc 0
2 mol 122 unq 0 iso 0 dist 6.78551 5.09114 6.28781 7.34585 9.61656 6.9791 10.5529 15.2006 9.23819 12.291 numMergedOcc 0
3 mol 122 unq 1 iso 0 dist 6.78551 5.09114 6.28781 7.34585 9.61656 6.9791 9.32745 13.537 8.88537 13.8731 numMergedOcc 0
4 mol 125 unq 0 iso 0 dist 4.81596 8.38646 6.06241 9.69767 5.72858 9.19101 6.24872 7.00113 7.73435 12.6339 numMergedOcc 0
5 mol 125 unq 1 iso 0 dist 4.81596 8.38646 6.06241 9.69767 5.72858 9.19101 10.4668 9.85979 9.3778 14.8345 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 7.48833 8.14071 5.99695 7.11486 6.57177 6.16616 9.81728 7.32407 9.36851 12.8649 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 7.48833 8.14071 5.99695 7.11486 6.57177 6.16616 6.95825 6.48695 4.97175 9.35533 numMergedOcc 0
8 mol 148 unq 0 iso 0 dist 8.60157 9.7168 5.77745 9.8506 16.0449 15.239 6.57631 6.86997 9.99156 16.3886 numMergedOcc 0
9 mol 148 unq 1 iso 0 dist 8.60157 9.7168 5.77745 9.8506 16.0449 15.239 8.40891 7.46919 8.18085 17.6216 numMergedOcc 0
10 mol 148 unq 2 iso 0 dist 6.72591 9.7168 12.9245 9.8506 8.01366 15.239 6.57631 11.5345 9.99156 16.3886 numMergedOcc 0
11 mol 148 unq 3 iso 0 dist 6.72591 9.7168 12.9245 9.8506 8.01366 15.239 8.40891 14.2261 8.18085 17.6216 numMergedOcc 0
12 mol 150 unq 0 iso 0 dist 8.59359 9.61132 5.71213 9.91991 16.1293 15.2388 6.56068 6.79381 9.8656 16.4395 numMergedOcc 0
13 mol 150 unq 1 iso 0 dist 8.59359 9.61132 5.71213 9.91991 16.1293 15.2388 8.32178 7.36989 7.94889 17.5615 numMergedOcc 0
14 mol 150 unq 2 iso 0 dist 6.80192 9.61132 12.8684 9.91991 8.04136 15.2388 6.56068 11.5855 9.8656 16.4395 numMergedOcc 0
15 mol 150 unq 3 iso 0 dist 6.80192 9.61132 12.8684 9.91991 8.04136 15.2388 8.32178 14.2195 7.94889 17.5615 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 7.03216 6.31492 9.72559 8.45614 12.8965 4.88992 7.00671 13.0317 6.73956 8.62102 numMergedOcc 0
17 mol 182 unq 1 iso 0 dist 7.03216 6.31492 9.72559 8.45614 12.8965 4.88992 11.1247 14.8787 7.09394 10.0627 numMergedOcc 0
18 mol 182 unq 2 iso 0 dist 9.42196 6.31492 13.9897 8.45614 13.9118 4.88992 7.00671 16.0013 6.73956 8.62102 numMergedOcc 0
19 mol 182 unq 3 iso 0 dist 9.42196 6.31492 13.9897 8.45614 13.9118 4.88992 11.1247 20.2474 7.09394 10.0627 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 7.83611 5.80867 11.3233 8.37455 9.62353 6.0599 6.42799 14.2415 6.34616 11.5067 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 9.33299 6.49599 7.32419 7.8428 10.9358 9.99423 10.451 15.2931 7.98231 14.2068 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 9.33299 9.47382 12.7868 7.8428 10.9358 8.81358 10.451 15.2931 7.08526 14.2068 numMergedOcc 0
23 mol 259 unq 2 iso 0 dist 9.49732 6.49599 11.0067 7.8428 6.51653 9.99423 10.451 10.9688 7.98231 14.2068 numMergedOcc 0
24 mol 259 unq 3 iso 0 dist 9.49732 9.47382 6.18571 7.8428 6.51653 8.81358 10.451 10.9688 7.08526 14.2068 numMergedOcc 0
25 mol 284 unq 0 iso 0 dist 9.75137 9.27402 5.36955 7.21255 13.9708 10.6409 15.7062 13.0873 9.33437 12.998 numMergedOcc 0
26 mol 284 unq 1 iso 0 dist 9.75137 9.26573 10.6793 7.21255 13.9708 6.25608 15.7062 13.0873 7.8343 12.998 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.20553 6.8133 9.63504 6.98961 4.17974 5.50627 7.95758 15.8761 7.83341 12.2918 numMergedOcc 0
