0 mol 7 unq 0 iso 0 dist 8.75465 15.0884 9.87885 13.0935 12.8323 8.41585 15.31 14.8356 12.0193 5.99972 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.75465 6.3236 6.1206 12.8676 7.12508 7.10621 17.5535 11.2901 13.8829 8.72114 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 8.00249 6.3236 7.67927 12.8676 11.143 7.10621 17.5535 16.0449 13.8829 8.72114 numMergedOcc 0
3 mol 11 unq 0 iso 0 dist 5.59847 5.51815 6.54358 6.49709 4.10106 4.61088 10.4181 6.859 6.86684 5.96346 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.48944 14.0586 7.27472 10.6551 5.50396 7.36323 6.2838 9.84204 13.2229 8.4051 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.48944 14.0586 7.27472 10.6551 5.50396 7.36323 12.5434 4.44526 6.38336 8.23446 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 8.48944 14.0586 7.27472 10.6551 5.50396 7.36323 11.8259 9.586 6.7828 8.75662 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 9.04448 9.67461 5.68215 10.6551 10.1698 5.54419 6.2838 6.61696 5.11617 8.4051 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 9.04448 9.67461 5.68215 10.6551 10.1698 5.54419 12.5434 16.1924 13.1779 8.23446 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 9.04448 9.67461 5.68215 10.6551 10.1698 5.54419 11.8259 15.3807 10.8238 8.75662 numMergedOcc 0
10 mol 24 unq 6 iso 0 dist 6.6834 13.4994 7.95042 9.88461 5.69214 6.86014 15.5415 10.8435 4.32034 7.33768 numMergedOcc 0
11 mol 24 unq 7 iso 0 dist 6.6834 13.4994 7.95042 9.88461 5.69214 6.86014 11.9306 10.8068 8.67951 9.01567 numMergedOcc 0
12 mol 24 unq 8 iso 0 dist 6.6834 13.4994 7.95042 9.88461 5.69214 6.86014 6.2838 5.80953 8.52463 7.29868 numMergedOcc 0
13 mol 24 unq 9 iso 0 dist 6.6834 13.4994 7.95042 9.79529 5.11636 8.86116 6.2838 5.80953 8.52463 8.60554 numMergedOcc 0
14 mol 24 unq 10 iso 0 dist 6.6834 13.4994 7.95042 9.79529 5.11636 8.86116 17.387 12.8213 10.971 8.44664 numMergedOcc 0
15 mol 24 unq 11 iso 0 dist 6.6834 13.4994 7.95042 9.79529 5.11636 8.86116 11.8259 11.7489 13.4893 9.44691 numMergedOcc 0
16 mol 25 unq 0 iso 0 dist 9.23015 10.7149 7.05196 13.2682 6.47509 5.04899 6.84017 5.20109 7.33728 7.45383 numMergedOcc 0
17 mol 25 unq 1 iso 0 dist 9.23015 10.7149 7.05196 13.2682 6.47509 5.04899 19.4958 12.506 13.9331 9.01548 numMergedOcc 0
18 mol 43 unq 0 iso 0 dist 8.74209 5.5249 6.6263 8.06275 5.41726 8.80331 5.33298 10.3764 6.18002 8.95682 numMergedOcc 0
19 mol 43 unq 1 iso 0 dist 8.74209 10.4413 6.75943 8.06275 5.41726 6.20293 5.33298 10.3764 8.38399 8.95682 numMergedOcc 0
20 mol 43 unq 2 iso 0 dist 9.85555 5.46715 6.6263 13.5835 5.41726 8.80331 11.0177 10.3764 6.18002 8.95682 numMergedOcc 0
21 mol 43 unq 3 iso 0 dist 9.85555 12.902 6.75943 13.5835 5.41726 6.20293 11.0177 10.3764 8.38399 8.95682 numMergedOcc 0
22 mol 98 unq 0 iso 0 dist 5.91797 9.41666 7.54889 9.32725 10.4782 6.10456 5.081 8.46823 9.67482 6.65501 numMergedOcc 0
23 mol 98 unq 1 iso 0 dist 6.37954 5.90686 5.10496 9.32725 3.9764 5.08437 5.081 4.62494 4.4057 6.65501 numMergedOcc 0
24 mol 98 unq 2 iso 0 dist 6.37954 11.2946 5.92242 9.32725 3.9764 6.48948 5.081 4.62494 7.42446 6.65501 numMergedOcc 0
25 mol 98 unq 3 iso 0 dist 6.37954 9.41666 5.2571 9.32725 3.9764 6.10456 5.081 4.62494 9.67482 6.65501 numMergedOcc 0
26 mol 109 unq 0 iso 0 dist 6.62354 5.68669 8.52024 9.26438 5.00433 8.69985 5.26309 7.56755 7.74599 7.80523 numMergedOcc 0
27 mol 109 unq 1 iso 0 dist 8.00085 6.80429 8.52024 6.43255 5.00433 8.69985 11.4333 7.56755 7.74599 7.80523 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 6.14652 7.07625 9.33094 9.42271 12.3479 6.49416 5.87436 10.1824 9.87376 7.80532 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 9.11314 10.5234 5.37047 12.9413 4.78563 5.99315 5.39614 5.06564 6.48978 7.78652 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 9.11314 10.5234 5.37047 12.9413 4.78563 5.99315 7.44842 7.5373 5.20762 8.91301 numMergedOcc 0
31 mol 182 unq 0 iso 0 dist 8.4603 5.4214 9.56028 11.8862 8.82964 9.31746 12.1543 13.3817 7.68794 6.73956 numMergedOcc 0
32 mol 182 unq 1 iso 0 dist 8.4603 5.4214 9.56028 11.8862 8.82964 9.31746 11.1299 12.6564 9.37404 7.09394 numMergedOcc 0
33 mol 205 unq 0 iso 0 dist 6.32553 9.40714 6.52816 16.4532 13.514 7.26832 18.0632 16.7889 10.3603 5.44002 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 8.63804 4.81906 5.56538 11.4413 6.84862 7.21333 8.51744 8.43195 7.75656 7.67576 numMergedOcc 0
35 mol 222 unq 1 iso 0 dist 8.63804 4.81906 5.56538 11.4413 6.84862 7.21333 19.0613 14.0832 16.0949 9.82371 numMergedOcc 0
36 mol 222 unq 2 iso 0 dist 8.61619 4.81906 7.48954 11.4413 9.53117 7.21333 8.51744 8.23406 7.75656 7.67576 numMergedOcc 0
37 mol 222 unq 3 iso 0 dist 8.61619 4.81906 7.48954 11.4413 9.53117 7.21333 19.0613 14.9425 16.0949 9.82371 numMergedOcc 0
38 mol 229 unq 0 iso 0 dist 9.90415 6.52416 7.27993 6.32302 5.70473 8.22528 6.7597 9.37336 6.65022 8.66332 numMergedOcc 0
39 mol 229 unq 1 iso 0 dist 5.96615 6.81165 7.27993 8.53615 5.70473 8.22528 5.3298 9.37336 6.65022 8.66332 numMergedOcc 0
