0 mol 21 unq 0 iso 0 dist 5.27589 10.7209 6.97295 10.0167 8.07914 4.81505 13.9852 9.3814 9.29842 10.4527 numMergedOcc 0
1 mol 94 unq 0 iso 0 dist 6.63924 6.3708 8.93438 4.48902 9.25496 5.54718 6.31237 6.0901 8.13248 10.0945 numMergedOcc 0
2 mol 105 unq 0 iso 0 dist 9.60797 9.71149 9.89151 10.1305 8.51572 7.22468 12.273 7.49434 9.52576 13.0412 numMergedOcc 0
3 mol 105 unq 1 iso 0 dist 6.88033 10.3462 9.89151 4.81647 8.51572 7.22468 12.7175 7.49434 9.52576 13.0412 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.91786 4.97528 6.17589 5.31483 9.41083 8.7758 8.64107 7.09627 6.61066 9.28214 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 5.91786 4.97528 6.17589 5.31483 9.41083 8.7758 9.50575 7.10772 6.3982 14.3348 numMergedOcc 0
6 mol 148 unq 0 iso 0 dist 6.4413 4.16381 6.17633 9.68187 9.18753 8.47619 7.95671 5.34721 9.64123 13.9381 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 6.62609 4.19097 6.20295 9.76535 9.15244 8.33704 8.12659 5.38822 9.72257 13.968 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 9.5214 15.5444 8.66519 4.12631 8.72323 16.2743 21.2196 12.8964 7.53748 20.7692 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.35708 15.5685 7.17789 12.3139 9.2254 10.2242 20.8485 12.5982 5.47189 14.3228 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 5.60195 14.0724 9.64006 5.84371 9.89039 17.9836 13.6631 9.18635 6.9028 18.8593 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 5.60195 14.0724 9.64006 12.9073 8.57174 4.47683 13.6631 9.18635 6.9028 9.9693 numMergedOcc 0
12 mol 220 unq 2 iso 0 dist 7.87359 17.2878 9.64006 4.72275 9.89039 17.9836 16.6539 9.18635 6.9028 18.8593 numMergedOcc 0
13 mol 220 unq 3 iso 0 dist 7.87359 17.2878 9.64006 15.2936 8.57174 4.47683 16.6539 9.18635 6.9028 9.9693 numMergedOcc 0
14 mol 281 unq 0 iso 0 dist 6.81536 8.46058 5.53313 9.38089 7.65321 4.48742 9.37845 5.81338 8.32692 12.2104 numMergedOcc 0
15 mol 281 unq 1 iso 0 dist 9.89425 9.5848 5.53313 5.70549 7.65321 4.48742 15.5545 5.81338 8.32692 12.2104 numMergedOcc 0
