0 mol 11 unq 0 iso 0 dist 5.59847 10.4181 6.859 6.49709 4.10106 5.96346 5.51815 6.54358 6.86684 4.61088 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.48944 12.5434 4.44526 10.6551 5.50396 8.23446 9.67461 9.33482 13.1779 5.54419 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.48944 12.5434 4.44526 10.6551 5.50396 8.23446 14.0586 7.27472 6.38336 7.36323 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.48944 11.8259 9.586 10.6551 5.50396 8.75662 9.67461 9.33482 10.8238 5.54419 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.48944 11.8259 9.586 10.6551 5.50396 8.75662 14.0586 7.27472 6.7828 7.36323 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.48944 11.8259 9.586 9.79529 14.4081 9.44691 13.4994 17.9275 13.4893 8.86116 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 8.48944 11.8259 9.586 9.79529 14.4081 9.44691 16.663 19.8965 12.505 8.38394 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 9.04448 11.9306 6.19899 9.88461 8.91183 9.01567 13.4994 12.5088 8.67951 6.86014 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 9.04448 6.2838 6.61696 10.6551 10.1698 8.4051 9.67461 5.68215 5.11617 5.54419 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 9.04448 6.2838 6.61696 10.6551 10.1698 8.4051 14.0586 17.003 13.2229 7.36323 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 9.04448 6.2838 6.61696 9.88461 8.91183 7.29868 13.4994 12.5088 8.52463 6.86014 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 9.04448 6.2838 6.61696 9.79529 14.8647 8.60554 13.4994 12.5088 8.52463 8.86116 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 9.04448 6.2838 6.61696 9.79529 14.8647 8.60554 16.663 17.9146 12.3994 8.38394 numMergedOcc 0
13 mol 24 unq 12 iso 0 dist 6.6834 6.2838 5.80953 10.6551 13.6174 8.4051 9.67461 10.9113 5.11617 5.54419 numMergedOcc 0
14 mol 24 unq 13 iso 0 dist 6.6834 6.2838 5.80953 10.6551 13.6174 8.4051 14.0586 16.707 13.2229 7.36323 numMergedOcc 0
15 mol 24 unq 14 iso 0 dist 6.6834 6.2838 5.80953 9.88461 5.69214 7.29868 13.4994 7.95042 8.52463 6.86014 numMergedOcc 0
16 mol 24 unq 15 iso 0 dist 6.6834 6.2838 5.80953 9.79529 5.11636 8.60554 13.4994 7.95042 8.52463 8.86116 numMergedOcc 0
17 mol 24 unq 16 iso 0 dist 6.6834 6.2838 5.80953 9.79529 5.11636 8.60554 16.663 10.9819 12.3994 8.38394 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 9.23015 6.84017 5.20109 8.94828 5.63212 6.16347 14.2406 10.9703 9.34396 7.57578 numMergedOcc 0
19 mol 25 unq 1 iso 0 dist 9.23015 6.84017 5.20109 8.94828 5.63212 6.16347 15.6642 10.3338 10.8498 7.17969 numMergedOcc 0
20 mol 25 unq 2 iso 0 dist 9.23015 6.84017 5.20109 13.2682 6.47509 7.45383 10.7149 7.05196 7.33728 5.04899 numMergedOcc 0
21 mol 41 unq 0 iso 0 dist 4.29713 7.50942 6.21128 14.0477 13.4019 8.51663 12.6635 13.8177 8.94326 6.19529 numMergedOcc 0
22 mol 72 unq 0 iso 0 dist 9.73435 11.9655 6.91169 9.43143 4.03844 9.27838 10.5786 12.4827 15.434 8.8178 numMergedOcc 0
23 mol 72 unq 1 iso 0 dist 9.73435 11.9655 6.91169 9.43143 4.03844 9.27838 16.2349 12.111 11.6378 9.96708 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.91797 5.081 8.46823 9.32725 10.4782 6.65501 5.90686 9.81956 4.4057 5.08437 numMergedOcc 0
25 mol 98 unq 1 iso 0 dist 5.91797 5.081 8.46823 9.32725 10.4782 6.65501 11.2946 10.8223 7.42446 6.48948 numMergedOcc 0
26 mol 98 unq 2 iso 0 dist 5.91797 5.081 8.46823 9.32725 10.4782 6.65501 9.41666 7.54889 9.67482 6.10456 numMergedOcc 0
27 mol 98 unq 3 iso 0 dist 6.37954 5.081 4.62494 9.32725 3.9764 6.65501 5.90686 5.10496 4.4057 5.08437 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 6.37954 5.081 4.62494 9.32725 3.9764 6.65501 11.2946 5.92242 7.42446 6.48948 numMergedOcc 0
29 mol 98 unq 5 iso 0 dist 6.37954 5.081 4.62494 9.32725 3.9764 6.65501 9.41666 5.2571 9.67482 6.10456 numMergedOcc 0
30 mol 109 unq 0 iso 0 dist 6.62354 5.26309 7.56755 9.26438 5.00433 7.80523 5.68669 8.52024 7.74599 8.69985 numMergedOcc 0
31 mol 109 unq 1 iso 0 dist 8.00085 11.4333 7.56755 6.43255 5.00433 7.80523 6.80429 8.52024 7.74599 8.69985 numMergedOcc 0
32 mol 143 unq 0 iso 0 dist 9.11314 5.39614 5.06564 12.9413 4.78563 7.78652 10.5234 5.37047 6.48978 5.99315 numMergedOcc 0
33 mol 143 unq 1 iso 0 dist 9.11314 7.44842 7.5373 12.9413 4.78563 8.91301 10.5234 5.37047 5.20762 5.99315 numMergedOcc 0
34 mol 182 unq 0 iso 0 dist 8.5093 10.2241 8.62102 10.6586 4.88992 6.73956 17.1735 13.5224 7.68794 9.31746 numMergedOcc 0
35 mol 222 unq 0 iso 0 dist 8.63804 8.51744 8.43195 11.4413 6.84862 7.67576 16.3814 14.4477 10.3151 8.01589 numMergedOcc 0
36 mol 222 unq 1 iso 0 dist 8.63804 8.51744 8.43195 11.4413 6.84862 7.67576 7.2185 10.0233 7.81022 7.7699 numMergedOcc 0
37 mol 222 unq 2 iso 0 dist 8.63804 8.51744 8.43195 11.4413 6.84862 7.67576 4.81906 5.56538 7.75656 7.21333 numMergedOcc 0
38 mol 222 unq 3 iso 0 dist 8.61619 8.51744 8.23406 11.4413 9.53117 7.67576 16.3814 16.3082 10.3151 8.01589 numMergedOcc 0
39 mol 222 unq 4 iso 0 dist 8.61619 8.51744 8.23406 11.4413 9.53117 7.67576 7.2185 11.839 7.81022 7.7699 numMergedOcc 0
40 mol 222 unq 5 iso 0 dist 8.61619 8.51744 8.23406 11.4413 9.53117 7.67576 4.81906 7.48954 7.75656 7.21333 numMergedOcc 0
41 mol 229 unq 0 iso 0 dist 9.90415 6.7597 9.37336 6.32302 5.70473 8.66332 6.52416 7.27993 6.65022 8.22528 numMergedOcc 0
42 mol 229 unq 1 iso 0 dist 5.96615 5.3298 9.37336 8.53615 5.70473 8.66332 6.81165 7.27993 6.65022 8.22528 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 8.1692 5.70548 6.59036 7.57253 5.42461 9.05071 9.29407 10.3021 8.80479 8.27212 numMergedOcc 0
44 mol 234 unq 0 iso 0 dist 9.73257 11.3445 7.77911 16.6604 13.1872 7.32499 15.8764 17.3846 10.7902 8.41436 numMergedOcc 0
45 mol 234 unq 1 iso 0 dist 9.73257 11.3445 7.77911 16.6604 13.1872 7.32499 11.5023 11.3419 4.4288 8.92474 numMergedOcc 0
46 mol 274 unq 0 iso 0 dist 7.64703 11.5711 8.60027 17.9263 16.9539 8.52587 15.6845 12.8334 5.29529 7.56915 numMergedOcc 0
