0 mol 25 unq 0 iso 0 dist 9.33067 12.2556 7.52933 12.0376 5.03027 5.04899 17.6641 12.7995 5.77929 8.87757 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.21247 5.39546 6.6263 10.0804 5.41726 8.80331 9.06608 10.3764 6.18002 8.95682 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.21247 12.2906 6.75943 10.0804 5.41726 6.20293 9.06608 10.3764 8.38399 8.95682 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.79061 4.78435 9.73086 11.6724 5.70116 9.96396 5.00474 6.14542 5.11416 9.24757 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 9.79061 6.33833 7.4369 11.6724 5.70116 6.19304 5.00474 6.14542 6.56633 9.24757 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 8.89346 9.42084 7.22643 10.229 6.9945 8.22656 10.4712 13.0475 10.6025 7.71248 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.88752 10.9364 8.77023 17.1647 13.0405 6.29155 12.8098 8.83732 4.54648 6.16242 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 8.88752 10.9364 8.77023 14.4401 13.7612 6.80239 12.8098 8.83732 4.54648 5.87634 numMergedOcc 0
8 mol 155 unq 0 iso 0 dist 8.99128 14.7612 8.97626 12.9795 4.91785 6.43582 11.7393 9.16358 5.50031 7.92304 numMergedOcc 0
9 mol 170 unq 0 iso 0 dist 9.66676 6.45787 9.51256 9.32245 4.78249 9.76807 4.11212 6.47164 4.34698 6.35982 numMergedOcc 0
10 mol 170 unq 1 iso 0 dist 9.66676 6.45787 9.51256 9.32245 4.78249 9.76807 9.2613 9.65126 5.75144 7.51126 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 5.97971 10.8374 9.01624 7.7544 5.71898 7.81386 7.18433 5.99437 7.20191 9.39829 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 5.97971 10.8374 9.01624 11.1074 5.93724 7.63312 14.5963 10.5303 5.63555 5.9176 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 5.97971 10.8374 9.01624 11.1074 5.93724 7.63312 7.18433 5.99437 7.20191 6.41453 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 8.72747 11.9541 9.01624 11.7328 5.71898 7.81386 6.37887 5.99437 7.20191 9.39829 numMergedOcc 0
15 mol 181 unq 4 iso 0 dist 8.72747 11.9541 9.01624 12.2168 5.93724 7.63312 15.6307 10.5303 5.63555 5.9176 numMergedOcc 0
16 mol 181 unq 5 iso 0 dist 8.72747 11.9541 9.01624 12.2168 5.93724 7.63312 6.37887 5.99437 7.20191 6.41453 numMergedOcc 0
17 mol 181 unq 6 iso 0 dist 8.23845 8.672 9.01624 9.88721 5.71898 7.81386 4.94211 5.99437 7.20191 9.39829 numMergedOcc 0
18 mol 181 unq 7 iso 0 dist 8.23845 8.672 9.01624 10.8515 5.93724 7.63312 13.0255 10.5303 5.63555 5.9176 numMergedOcc 0
19 mol 181 unq 8 iso 0 dist 8.23845 8.672 9.01624 10.8515 5.93724 7.63312 4.94211 5.99437 7.20191 6.41453 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 7.99441 9.84386 5.56538 8.86173 6.84862 7.21333 4.07008 8.43195 7.75656 7.67576 numMergedOcc 0
21 mol 222 unq 1 iso 0 dist 7.99441 9.84386 5.56538 8.86173 6.84862 7.21333 10.3765 14.0832 16.0949 9.82371 numMergedOcc 0
22 mol 222 unq 2 iso 0 dist 6.71817 9.84386 7.48954 8.86173 9.53117 7.21333 4.07008 8.23406 7.75656 7.67576 numMergedOcc 0
23 mol 222 unq 3 iso 0 dist 6.71817 9.84386 7.48954 8.86173 9.53117 7.21333 10.3765 14.9425 16.0949 9.82371 numMergedOcc 0
24 mol 224 unq 0 iso 0 dist 8.565 6.57808 8.08349 10.2007 5.13732 6.61986 17.1599 10.7847 12.4692 9.51597 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 9.993 13.3838 6.73665 17.0305 10.6736 6.16342 16.0645 10.0627 4.30299 8.84636 numMergedOcc 0
