0 mol 24 unq 0 iso 0 dist 8.48944 14.0586 7.27472 10.6551 5.50396 7.36323 9.67461 9.33482 12.3067 5.54419 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.04448 9.67461 5.68215 10.6551 10.1698 5.54419 14.0586 17.003 12.3067 7.36323 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.6834 13.4994 7.95042 9.79529 5.11636 8.86116 16.663 10.9819 6.44287 8.38394 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.74209 5.5249 6.6263 8.06275 5.41726 8.80331 10.4413 6.75943 8.13395 6.20293 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.74209 10.4413 6.75943 8.06275 5.41726 6.20293 5.5249 6.6263 8.13395 8.80331 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 9.85555 5.46715 6.6263 13.5835 5.41726 8.80331 12.902 6.75943 8.13395 6.20293 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 9.85555 12.902 6.75943 13.5835 5.41726 6.20293 5.46715 6.6263 8.13395 8.80331 numMergedOcc 0
7 mol 72 unq 0 iso 0 dist 9.20886 10.5933 7.66093 5.48831 7.07356 9.78528 13.0773 12.1131 8.24309 9.96708 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 8.57607 4.16047 8.27883 11.3191 15.6249 8.03644 9.68997 15.6447 8.41707 7.27724 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 6.1991 4.16047 5.75428 11.3191 12.4896 8.03644 9.68997 14.0772 8.41707 7.27724 numMergedOcc 0
10 mol 95 unq 2 iso 0 dist 5.96246 4.16047 8.57395 11.3191 14.2178 8.03644 9.68997 14.1515 8.41707 7.27724 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 5.91797 9.41666 7.54889 9.32725 10.4782 6.10456 5.90686 9.81956 8.40073 5.08437 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 5.91797 9.41666 7.54889 9.32725 10.4782 6.10456 11.2946 10.8223 9.42358 6.48948 numMergedOcc 0
13 mol 98 unq 2 iso 0 dist 6.37954 5.90686 5.10496 9.32725 3.9764 5.08437 11.2946 5.92242 9.51923 6.48948 numMergedOcc 0
14 mol 98 unq 3 iso 0 dist 6.37954 5.90686 5.10496 9.32725 3.9764 5.08437 9.41666 5.2571 8.40073 6.10456 numMergedOcc 0
15 mol 98 unq 4 iso 0 dist 6.37954 11.2946 5.92242 9.32725 3.9764 6.48948 5.90686 5.10496 9.51923 5.08437 numMergedOcc 0
16 mol 98 unq 5 iso 0 dist 6.37954 11.2946 5.92242 9.32725 3.9764 6.48948 9.41666 5.2571 9.42358 6.10456 numMergedOcc 0
17 mol 98 unq 6 iso 0 dist 6.37954 9.41666 5.2571 9.32725 3.9764 6.10456 5.90686 5.10496 8.40073 5.08437 numMergedOcc 0
18 mol 98 unq 7 iso 0 dist 6.37954 9.41666 5.2571 9.32725 3.9764 6.10456 11.2946 5.92242 9.42358 6.48948 numMergedOcc 0
19 mol 109 unq 0 iso 0 dist 8.59103 8.36322 6.29161 11.7396 6.73011 7.34473 9.09693 11.0751 7 8.58044 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 8.59103 8.36322 6.29161 11.7396 6.73011 7.34473 14.7938 13.6787 8.40993 9.97763 numMergedOcc 0
21 mol 115 unq 0 iso 0 dist 9.90992 12.718 7.69765 9.79979 4.48636 5.83991 14.8263 13.4105 7.69052 9.33865 numMergedOcc 0
22 mol 115 unq 1 iso 0 dist 9.90992 12.718 7.69765 16.7328 11.835 7.88312 14.8263 13.4105 7.69052 6.11741 numMergedOcc 0
23 mol 115 unq 2 iso 0 dist 8.54304 5.98221 6.24825 13.352 6.95773 9.33865 13.0823 10.0255 8.02349 6.11741 numMergedOcc 0
24 mol 115 unq 3 iso 0 dist 8.54304 5.98221 6.24825 11.172 6.01673 5.83991 16.2427 13.22 10.8507 7.30858 numMergedOcc 0
25 mol 115 unq 4 iso 0 dist 8.54304 5.98221 6.24825 11.172 6.01673 5.83991 13.0823 10.0255 8.02349 7.88312 numMergedOcc 0
26 mol 117 unq 0 iso 0 dist 7.85205 7.96311 6.10127 13.8533 10.5783 7.90328 9.71596 11.6387 7.22206 7.83136 numMergedOcc 0
27 mol 117 unq 1 iso 0 dist 7.85205 7.96311 6.10127 13.8533 10.5783 7.90328 15.5796 14.762 9.3584 7.0603 numMergedOcc 0
28 mol 134 unq 0 iso 0 dist 7.76446 10.4858 9.1998 9.79337 12.8086 9.86662 7.07625 11.0808 6.81259 8.94367 numMergedOcc 0
29 mol 134 unq 1 iso 0 dist 7.76446 10.4858 9.1998 10.5814 15.0225 9.71307 7.07625 11.0808 6.81259 6.37586 numMergedOcc 0
30 mol 134 unq 2 iso 0 dist 6.14652 7.07625 9.33094 9.79337 7.41373 8.94367 10.4858 8.69531 6.81259 9.86662 numMergedOcc 0
31 mol 134 unq 3 iso 0 dist 6.14652 7.07625 9.33094 10.5814 10.8635 6.37586 10.4858 8.69531 6.81259 9.71307 numMergedOcc 0
32 mol 134 unq 4 iso 0 dist 6.14652 7.07625 9.33094 9.42271 12.3479 6.49416 6.16353 11.2896 5.00526 6.54501 numMergedOcc 0
33 mol 134 unq 5 iso 0 dist 6.14652 10.4858 8.69531 9.79337 7.41373 9.86662 7.07625 9.33094 6.81259 8.94367 numMergedOcc 0
34 mol 134 unq 6 iso 0 dist 6.14652 10.4858 8.69531 10.5814 10.8635 9.71307 7.07625 9.33094 6.81259 6.37586 numMergedOcc 0
35 mol 152 unq 0 iso 0 dist 9.4275 5.65129 6.59889 8.34839 5.39112 8.56324 10.5295 6.70693 7.65448 6.70283 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 9.4275 5.65129 6.59889 8.34839 5.39112 8.56324 10.7929 10.4895 10.6875 7.16148 numMergedOcc 0
37 mol 152 unq 2 iso 0 dist 9.4275 10.5295 6.70693 12.6531 4.94983 5.87555 10.7929 10.4895 5.49936 8.87437 numMergedOcc 0
38 mol 152 unq 3 iso 0 dist 9.4275 10.5295 6.70693 8.34839 5.39112 6.70283 5.65129 6.59889 7.65448 8.56324 numMergedOcc 0
39 mol 152 unq 4 iso 0 dist 9.4275 10.5295 6.70693 8.34839 5.39112 6.70283 10.7929 10.4895 5.49936 7.16148 numMergedOcc 0
40 mol 152 unq 5 iso 0 dist 9.4275 10.5295 6.70693 14.5994 9.67475 8.67331 10.7929 10.4895 5.49936 8.05741 numMergedOcc 0
41 mol 152 unq 6 iso 0 dist 9.83462 5.65129 8.9192 8.34839 4.84714 8.56324 10.5295 9.27706 7.65448 6.70283 numMergedOcc 0
42 mol 152 unq 7 iso 0 dist 9.83462 5.65129 8.9192 8.34839 4.84714 8.56324 10.7929 11.6735 10.6875 7.16148 numMergedOcc 0
43 mol 186 unq 0 iso 0 dist 9.00537 9.40374 6.61112 10.8152 11.0961 7.54065 13.2169 18.4751 13.8792 9.70748 numMergedOcc 0
44 mol 186 unq 1 iso 0 dist 9.00537 9.40374 6.61112 10.8152 11.0961 7.54065 14.8041 11.456 5.74635 8.87694 numMergedOcc 0
45 mol 186 unq 2 iso 0 dist 8.9388 12.4751 6.61112 18.4039 11.0961 7.54065 22.8577 18.4751 13.8792 9.70748 numMergedOcc 0
46 mol 186 unq 3 iso 0 dist 8.9388 12.4751 6.61112 18.4039 11.0961 7.54065 17.4821 11.456 5.74635 8.87694 numMergedOcc 0
47 mol 222 unq 0 iso 0 dist 8.63804 4.81906 5.56538 11.4413 6.84862 7.21333 16.3814 14.4477 13.3522 8.01589 numMergedOcc 0
48 mol 222 unq 1 iso 0 dist 8.63804 4.81906 5.56538 11.4413 6.84862 7.21333 7.2185 10.0233 5.24516 7.7699 numMergedOcc 0
49 mol 222 unq 2 iso 0 dist 8.61619 4.81906 7.48954 11.4413 9.53117 7.21333 16.3814 16.3082 13.3522 8.01589 numMergedOcc 0
50 mol 222 unq 3 iso 0 dist 8.61619 4.81906 7.48954 11.4413 9.53117 7.21333 7.2185 11.839 5.24516 7.7699 numMergedOcc 0
51 mol 229 unq 0 iso 0 dist 9.90415 6.52416 7.27993 6.88694 7.22525 7.03423 11.1919 11.9869 6.84129 9.06952 numMergedOcc 0
52 mol 229 unq 1 iso 0 dist 5.96615 6.81165 7.27993 11.0334 7.22525 7.03423 13.1466 11.9869 6.84129 9.06952 numMergedOcc 0
53 mol 234 unq 0 iso 0 dist 9.73257 14.9272 7.81215 21.1847 12.4252 9.45496 20.2939 11.6391 5.88703 6.56247 numMergedOcc 0
54 mol 234 unq 1 iso 0 dist 9.73257 14.9272 7.81215 13.4679 5.75498 6.7625 20.2939 11.6391 5.88703 9.36357 numMergedOcc 0
55 mol 252 unq 0 iso 0 dist 7.95045 7.16035 7.15764 11.4163 7.40852 7.19638 16.5585 13.1298 14.9102 8.33025 numMergedOcc 0
56 mol 252 unq 1 iso 0 dist 7.95045 7.16035 7.15764 11.4163 7.40852 7.19638 9.99366 10.5687 11.7918 9.2288 numMergedOcc 0
