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 8.48944 14.0586 7.27472 11.8259 9.586 6.7828 9.79529 14.4081 15.5296 9.44691 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 9.04448 9.67461 5.68215 11.9306 6.19899 4.50066 9.88461 8.91183 11.0194 9.01567 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 9.04448 9.67461 5.68215 6.2838 6.61696 5.11617 9.88461 8.91183 11.0194 7.29868 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 9.04448 9.67461 5.68215 6.2838 6.61696 5.11617 9.79529 14.8647 13.2433 8.60554 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 6.6834 13.4994 7.95042 6.2838 5.80953 8.52463 10.6551 13.6174 15.5324 8.4051 numMergedOcc 0
9 mol 24 unq 8 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
10 mol 24 unq 9 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
11 mol 25 unq 0 iso 0 dist 9.23015 10.7149 7.05196 6.84017 5.20109 7.33728 8.94828 5.63212 11.9561 6.16347 numMergedOcc 0
12 mol 25 unq 1 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
13 mol 98 unq 0 iso 0 dist 5.91797 15.3018 9.64383 5.081 8.46823 16.4267 9.32725 10.4782 17.4071 6.65501 numMergedOcc 0
14 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
15 mol 98 unq 2 iso 0 dist 5.91797 9.57791 7.78931 5.081 8.46823 12.0974 9.32725 10.4782 10.1136 6.65501 numMergedOcc 0
16 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
17 mol 98 unq 4 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
18 mol 98 unq 5 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
19 mol 98 unq 6 iso 0 dist 6.37954 9.57791 8.7497 5.081 4.62494 12.0974 9.32725 3.9764 10.1136 6.65501 numMergedOcc 0
20 mol 109 unq 0 iso 0 dist 6.62354 4.91393 9.89083 5.26309 7.56755 10.0688 9.26438 5.00433 13.1098 7.80523 numMergedOcc 0
21 mol 109 unq 1 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
22 mol 109 unq 2 iso 0 dist 8.00085 12.0697 9.89083 11.4333 7.56755 10.0688 6.43255 5.00433 13.1098 7.80523 numMergedOcc 0
23 mol 109 unq 3 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
24 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
25 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
26 mol 188 unq 0 iso 0 dist 8.01604 10.0103 7.88013 5.58576 8.66624 8.77113 10.4357 9.71636 13.353 7.14503 numMergedOcc 0
27 mol 188 unq 1 iso 0 dist 7.03264 7.94258 7.88013 9.66868 8.66624 8.77113 14.3411 9.71636 13.353 7.14503 numMergedOcc 0
28 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
29 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
30 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
31 mol 229 unq 1 iso 0 dist 9.90415 9.71486 9.51168 6.7597 9.37336 5.42069 6.32302 5.70473 11.3979 8.66332 numMergedOcc 0
32 mol 229 unq 2 iso 0 dist 9.90415 12.9522 6.95201 6.7597 9.37336 10.2411 6.32302 5.70473 11.7165 8.66332 numMergedOcc 0
33 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
34 mol 229 unq 4 iso 0 dist 5.96615 5.33253 9.51168 5.3298 9.37336 5.42069 8.53615 5.70473 11.3979 8.66332 numMergedOcc 0
35 mol 229 unq 5 iso 0 dist 5.96615 6.21905 6.95201 5.3298 9.37336 10.2411 8.53615 5.70473 11.7165 8.66332 numMergedOcc 0
36 mol 234 unq 0 iso 0 dist 9.73257 14.9272 7.81215 11.3445 7.77911 10.0059 16.6604 13.1872 10.3625 7.32499 numMergedOcc 0
37 mol 234 unq 1 iso 0 dist 9.73257 6.44395 5.64285 11.3445 7.77911 5.08515 16.6604 13.1872 11.0622 7.32499 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 9.61255 7.62102 9.30212 4.69368 7.77765 9.5468 11.3698 5.22914 12.3938 7.46394 numMergedOcc 0
39 mol 274 unq 1 iso 0 dist 9.61255 7.62102 9.30212 4.69368 7.77765 9.5468 11.6773 12.393 10.7806 9.45514 numMergedOcc 0
40 mol 274 unq 2 iso 0 dist 9.61255 7.62102 9.30212 4.69368 7.77765 9.5468 10.7006 16.5034 16.3286 8.91672 numMergedOcc 0
41 mol 274 unq 3 iso 0 dist 9.61255 7.62102 9.30212 4.69368 7.77765 9.5468 11.5347 10.2884 13.5896 7.1729 numMergedOcc 0
42 mol 274 unq 4 iso 0 dist 7.64703 7.62102 6.4611 4.69368 9.65868 9.5468 11.3698 14.7507 12.3938 7.46394 numMergedOcc 0
43 mol 274 unq 5 iso 0 dist 7.64703 7.62102 6.4611 4.69368 9.65868 9.5468 11.6773 8.87855 10.7806 9.45514 numMergedOcc 0
44 mol 274 unq 6 iso 0 dist 7.64703 7.62102 6.4611 4.69368 9.65868 9.5468 10.7006 12.5615 16.3286 8.91672 numMergedOcc 0
45 mol 274 unq 7 iso 0 dist 7.64703 7.62102 6.4611 4.69368 9.65868 9.5468 11.5347 13.0867 13.5896 7.1729 numMergedOcc 0
46 mol 274 unq 8 iso 0 dist 7.64703 7.62102 6.4611 11.5711 8.60027 6.70925 17.9263 16.9539 13.9359 8.52587 numMergedOcc 0
47 mol 274 unq 9 iso 0 dist 7.64703 7.62102 6.4611 11.5711 8.60027 6.70925 11.6773 8.87855 10.7806 6.39866 numMergedOcc 0
