0 mol 11 unq 0 iso 0 dist 5.59847 5.51815 6.54358 10.4181 6.859 6.86684 6.49709 4.10106 4.61088 5.96346 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.48944 14.0586 7.27472 12.5434 4.44526 6.38336 10.6551 5.50396 7.36323 8.23446 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.48944 14.0586 7.27472 11.8259 9.586 6.7828 10.6551 5.50396 7.36323 8.75662 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 9.04448 9.67461 5.68215 15.0242 7.26334 6.56748 10.6551 10.1698 5.54419 11.3566 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.04448 9.67461 5.68215 11.9306 6.19899 4.50066 10.6551 10.1698 5.54419 9.83002 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 9.04448 9.67461 5.68215 6.2838 6.61696 5.11617 10.6551 10.1698 5.54419 8.4051 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 6.6834 13.4994 7.95042 6.2838 5.80953 8.52463 9.88461 5.69214 6.86014 7.29868 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 6.6834 13.4994 7.95042 6.2838 5.80953 8.52463 9.79529 5.11636 8.86116 8.60554 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 9.23015 10.7149 7.05196 6.84017 5.20109 7.33728 13.2682 6.47509 5.04899 7.45383 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.91797 9.41666 7.54889 6.3915 9.25444 9.85543 9.32725 10.4782 6.10456 11.3043 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 5.91797 9.41666 7.54889 5.081 8.46823 9.67482 9.32725 10.4782 6.10456 6.65501 numMergedOcc 0
11 mol 98 unq 2 iso 0 dist 6.37954 5.90686 5.10496 6.3915 9.84703 7.94178 9.32725 3.9764 5.08437 11.3043 numMergedOcc 0
12 mol 98 unq 3 iso 0 dist 6.37954 5.90686 5.10496 5.081 4.62494 4.4057 9.32725 3.9764 5.08437 6.65501 numMergedOcc 0
13 mol 98 unq 4 iso 0 dist 6.37954 11.2946 5.92242 6.3915 9.84703 15.7178 9.32725 3.9764 6.48948 11.3043 numMergedOcc 0
14 mol 98 unq 5 iso 0 dist 6.37954 11.2946 5.92242 5.081 4.62494 7.42446 9.32725 3.9764 6.48948 6.65501 numMergedOcc 0
15 mol 98 unq 6 iso 0 dist 6.37954 9.41666 5.2571 6.3915 9.84703 9.85543 9.32725 3.9764 6.10456 11.3043 numMergedOcc 0
16 mol 98 unq 7 iso 0 dist 6.37954 9.41666 5.2571 5.081 4.62494 9.67482 9.32725 3.9764 6.10456 6.65501 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 6.62354 5.68669 8.52024 5.26309 7.56755 7.74599 9.26438 5.00433 8.69985 7.80523 numMergedOcc 0
18 mol 109 unq 1 iso 0 dist 8.00085 6.80429 8.52024 11.4333 7.56755 7.74599 6.43255 5.00433 8.69985 7.80523 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 9.11314 10.5234 5.37047 5.39614 5.06564 6.48978 12.9413 4.78563 5.99315 7.78652 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 9.11314 10.5234 5.37047 7.44842 7.5373 5.20762 12.9413 4.78563 5.99315 8.91301 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 8.63804 4.81906 5.56538 8.51744 8.43195 7.75656 11.4413 6.84862 7.21333 7.67576 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 8.61619 4.81906 7.48954 8.51744 8.23406 7.75656 11.4413 9.53117 7.21333 7.67576 numMergedOcc 0
23 mol 229 unq 0 iso 0 dist 9.90415 6.52416 7.27993 6.7597 9.37336 6.65022 6.32302 5.70473 8.22528 8.66332 numMergedOcc 0
24 mol 229 unq 1 iso 0 dist 9.90415 6.52416 7.27993 6.7597 9.37336 6.65022 6.88694 7.22525 7.03423 11.1976 numMergedOcc 0
25 mol 229 unq 2 iso 0 dist 9.90415 12.9522 6.95201 6.7597 9.37336 10.2411 13.808 4.61227 9.87838 13.8021 numMergedOcc 0
26 mol 229 unq 3 iso 0 dist 5.96615 6.81165 7.27993 5.3298 9.37336 6.65022 8.53615 5.70473 8.22528 8.66332 numMergedOcc 0
27 mol 229 unq 4 iso 0 dist 5.96615 6.81165 7.27993 5.3298 9.37336 6.65022 11.0334 7.22525 7.03423 11.1976 numMergedOcc 0
28 mol 229 unq 5 iso 0 dist 5.96615 6.21905 6.95201 5.3298 9.37336 10.2411 9.97251 4.61227 9.87838 13.8021 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 9.73257 14.9272 7.81215 11.3445 7.77911 10.0059 21.1847 12.4252 9.45496 17.6227 numMergedOcc 0
30 mol 234 unq 1 iso 0 dist 9.73257 14.9272 7.81215 11.3445 7.77911 10.0059 13.4679 5.75498 6.7625 12.6238 numMergedOcc 0
31 mol 252 unq 0 iso 0 dist 7.95045 7.16035 7.15764 10.6643 8.09509 6.35641 11.4163 7.40852 7.19638 11.0831 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 7.88009 9.57081 8.9682 9.39798 9.26157 7.70529 16.2514 17.6038 9.7748 16.795 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 7.48212 5.0721 7.20674 5.17069 8.62162 8.83082 10.0145 7.8414 8.2734 14.0973 numMergedOcc 0
