0 mol 21 unq 0 iso 0 dist 5.27589 10.7209 6.97295 13.9852 9.3814 9.29842 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.66616 6.71794 9.80157 11.7842 12.4427 9.40763 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 8.23001 7.75298 4.4866 11.4479 6.66385 8.46313 numMergedOcc 0
3 mol 94 unq 0 iso 0 dist 6.63924 6.3708 8.93438 6.31237 6.0901 8.13248 numMergedOcc 0
4 mol 105 unq 0 iso 0 dist 9.60797 9.71149 9.89151 12.273 7.49434 9.52576 numMergedOcc 0
5 mol 105 unq 1 iso 0 dist 6.88033 10.3462 9.89151 12.7175 7.49434 9.52576 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 6.15949 9.74115 9.26301 6.99793 7.65733 7.91231 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.91786 4.97528 6.17589 8.64107 7.09627 6.61066 numMergedOcc 0
8 mol 115 unq 1 iso 0 dist 5.91786 4.97528 6.17589 9.50575 7.10772 6.3982 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 6.4413 4.16381 6.17633 7.95671 5.34721 9.64123 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 6.62609 4.19097 6.20295 8.12659 5.38822 9.72257 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 9.5214 15.5444 8.66519 21.2196 12.8964 7.53748 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 9.35708 15.5685 7.17789 20.8485 12.5982 5.47189 numMergedOcc 0
13 mol 186 unq 1 iso 0 dist 5.99801 8.41913 8.86673 11.8774 10.0248 7.69466 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 5.60195 14.0724 9.64006 13.6631 9.18635 6.9028 numMergedOcc 0
15 mol 220 unq 1 iso 0 dist 7.87359 17.2878 9.64006 16.6539 9.18635 6.9028 numMergedOcc 0
16 mol 257 unq 0 iso 0 dist 7.63329 5.44976 9.91996 6.26533 5.54149 5.16581 numMergedOcc 0
17 mol 257 unq 1 iso 0 dist 7.63329 5.44976 9.91996 9.67549 10.8918 5.13633 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 6.20998 9.07546 5.59641 6.95233 5.98169 8.82941 numMergedOcc 0
19 mol 281 unq 0 iso 0 dist 6.81536 8.46058 5.53313 9.37845 5.81338 8.32692 numMergedOcc 0
20 mol 281 unq 1 iso 0 dist 9.89425 9.5848 5.53313 15.5545 5.81338 8.32692 numMergedOcc 0
