0 mol 48 unq 0 iso 0 dist 7.11491 8.23404 7.78689 11.6319 8.22812 9.26377 18.0984 13.697 16.2743 7.20729 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 7.11491 8.23404 7.78689 3.50984 6.5241 9.94951 8.29857 11.505 15.6785 5.7836 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 5.82264 5.50677 7.7927 6.30002 5.37439 4.10953 8.19993 3.65036 9.39276 5.73454 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 5.82264 5.50677 7.7927 9.72383 8.3714 5.70353 8.19993 3.65036 9.39276 8.2012 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 5.82264 5.50677 7.7927 11.5388 6.36817 11.246 8.19993 3.65036 9.39276 7.1829 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 5.82264 3.90503 6.17378 6.30002 5.37439 5.46483 8.19993 3.65036 9.00368 5.73454 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 5.82264 3.90503 6.17378 9.72383 8.3714 7.86518 8.19993 3.65036 9.00368 8.2012 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 5.82264 3.90503 6.17378 11.5388 6.36817 9.92075 8.19993 3.65036 9.00368 7.1829 numMergedOcc 0
8 mol 48 unq 8 iso 0 dist 8.56365 11.8248 7.7927 11.2833 5.37439 4.10953 11.427 3.65036 9.39276 5.73454 numMergedOcc 0
9 mol 48 unq 9 iso 0 dist 8.56365 11.8248 7.7927 12.3471 8.3714 5.70353 11.427 3.65036 9.39276 8.2012 numMergedOcc 0
10 mol 48 unq 10 iso 0 dist 8.56365 11.8248 7.7927 6.34854 6.36817 11.246 11.427 3.65036 9.39276 7.1829 numMergedOcc 0
11 mol 48 unq 11 iso 0 dist 8.56365 9.10288 6.17378 11.2833 5.37439 5.46483 11.427 3.65036 9.00368 5.73454 numMergedOcc 0
12 mol 48 unq 12 iso 0 dist 8.56365 9.10288 6.17378 12.3471 8.3714 7.86518 11.427 3.65036 9.00368 8.2012 numMergedOcc 0
13 mol 48 unq 13 iso 0 dist 8.56365 9.10288 6.17378 6.34854 6.36817 9.92075 11.427 3.65036 9.00368 7.1829 numMergedOcc 0
14 mol 48 unq 14 iso 0 dist 7.1829 8.13327 7.70645 3.65036 6.36817 9.7018 8.19993 11.5388 15.4035 5.82264 numMergedOcc 0
15 mol 48 unq 15 iso 0 dist 7.1829 8.13327 7.70645 3.65036 6.36817 9.7018 11.427 6.34854 12.7381 8.56365 numMergedOcc 0
16 mol 48 unq 16 iso 0 dist 7.1829 8.13327 7.70645 11.611 8.0812 8.95384 18.0801 13.357 16.0533 7.32996 numMergedOcc 0
17 mol 48 unq 17 iso 0 dist 7.1829 8.13327 7.70645 11.611 8.0812 8.95384 11.427 6.34854 12.7381 7.47783 numMergedOcc 0
18 mol 48 unq 18 iso 0 dist 7.1829 8.13327 7.70645 5.37655 4.17933 4.57947 11.427 6.34854 12.7381 8.74151 numMergedOcc 0
19 mol 48 unq 19 iso 0 dist 7.1829 8.13327 7.70645 8.48119 5.54893 4.60843 11.427 6.34854 12.7381 8.69662 numMergedOcc 0
20 mol 79 unq 0 iso 0 dist 6.2576 4.03842 7.92114 4.37918 4.15789 4.69555 8.03296 6.07693 11.5917 8.84225 numMergedOcc 0
21 mol 79 unq 1 iso 0 dist 6.2576 4.03842 7.92114 4.37918 4.15789 4.69555 9.26979 5.25584 11.3093 6.72546 numMergedOcc 0
22 mol 79 unq 2 iso 0 dist 6.2576 3.81317 8.18375 4.37918 4.15789 6.49084 8.03296 6.07693 8.02443 8.84225 numMergedOcc 0
23 mol 79 unq 3 iso 0 dist 6.2576 3.81317 8.18375 4.37918 4.15789 6.49084 9.26979 5.25584 9.09458 6.72546 numMergedOcc 0
24 mol 79 unq 4 iso 0 dist 8.96069 10.6312 7.92114 9.08423 4.15789 4.69555 5.82754 6.07693 11.5917 8.84225 numMergedOcc 0
25 mol 79 unq 5 iso 0 dist 8.96069 10.6312 7.92114 9.08423 4.15789 4.69555 9.05679 5.25584 11.3093 6.72546 numMergedOcc 0
26 mol 79 unq 6 iso 0 dist 8.96069 4.08868 8.18375 9.08423 4.15789 6.49084 5.82754 6.07693 8.02443 8.84225 numMergedOcc 0
27 mol 79 unq 7 iso 0 dist 8.96069 4.08868 8.18375 9.08423 4.15789 6.49084 9.05679 5.25584 9.09458 6.72546 numMergedOcc 0
28 mol 79 unq 8 iso 0 dist 7.56495 9.78235 7.92114 6.29733 4.15789 4.69555 8.87742 6.07693 11.5917 8.84225 numMergedOcc 0
29 mol 79 unq 9 iso 0 dist 7.56495 9.78235 7.92114 6.29733 4.15789 4.69555 4.93468 5.25584 11.3093 6.72546 numMergedOcc 0
30 mol 79 unq 10 iso 0 dist 7.56495 6.06691 8.18375 6.29733 4.15789 6.49084 8.87742 6.07693 8.02443 8.84225 numMergedOcc 0
31 mol 79 unq 11 iso 0 dist 7.56495 6.06691 8.18375 6.29733 4.15789 6.49084 4.93468 5.25584 9.09458 6.72546 numMergedOcc 0
32 mol 79 unq 12 iso 0 dist 7.38548 6.0749 4.74254 5.79629 6.20144 7.19532 9.62311 4.31939 8.50427 5.79139 numMergedOcc 0
33 mol 79 unq 13 iso 0 dist 7.38548 6.0749 4.74254 5.79629 6.20144 7.19532 4.93468 5.41884 6.5551 7.63923 numMergedOcc 0
34 mol 85 unq 0 iso 0 dist 9.13593 10.797 4.29937 13.6534 6.67137 3.65186 11.5179 5.22259 5.05893 8.04853 numMergedOcc 0
35 mol 85 unq 1 iso 0 dist 9.13593 7.04693 3.65628 13.6534 6.67137 7.00044 11.5179 5.22259 5.71866 8.04853 numMergedOcc 0
36 mol 85 unq 2 iso 0 dist 9.13593 6.7475 9.77774 13.6534 6.67137 16.1804 11.5179 5.22259 11.3323 8.04853 numMergedOcc 0
37 mol 85 unq 3 iso 0 dist 8.25144 10.797 5.37869 13.6534 7.04244 3.65186 11.5179 7.66499 5.05893 8.04853 numMergedOcc 0
38 mol 85 unq 4 iso 0 dist 8.25144 7.04693 4.05415 13.6534 7.04244 7.00044 11.5179 7.66499 5.71866 8.04853 numMergedOcc 0
39 mol 85 unq 5 iso 0 dist 8.25144 6.7475 9.97944 13.6534 7.04244 16.1804 11.5179 7.66499 11.3323 8.04853 numMergedOcc 0
40 mol 113 unq 0 iso 0 dist 5.35711 3.84573 4.30875 3.52111 7.02358 3.52445 10.0094 14.7833 11.5006 9.62952 numMergedOcc 0
41 mol 131 unq 0 iso 0 dist 8.47526 6.11089 8.49847 4.60864 7.53342 6.95147 5.87084 4.94367 7.75314 7.84546 numMergedOcc 0
42 mol 169 unq 0 iso 0 dist 7.85698 7.40692 7.65903 6.28646 5.10589 3.18152 10.616 14.1141 10.1399 9.84538 numMergedOcc 0
43 mol 169 unq 1 iso 0 dist 6.35799 9.68109 7.65903 7.83748 5.10589 3.18152 14.2117 14.1141 10.1399 9.84538 numMergedOcc 0
44 mol 169 unq 2 iso 0 dist 9.84538 8.86736 8.6961 14.1141 5.10589 9.60496 10.616 6.28646 10.034 7.85698 numMergedOcc 0
45 mol 169 unq 3 iso 0 dist 9.84538 8.86736 8.6961 14.1141 5.10589 9.60496 14.2117 7.83748 11.0016 6.35799 numMergedOcc 0
46 mol 254 unq 0 iso 0 dist 9.31434 3.91259 5.6417 13.4911 9.20109 10.929 16.4757 11.9238 13.3341 9.50951 numMergedOcc 0
47 mol 254 unq 1 iso 0 dist 9.31434 5.53173 7.42831 13.4911 9.20109 10.706 16.4757 11.9238 11.1806 9.50951 numMergedOcc 0
48 mol 287 unq 0 iso 0 dist 9.25759 5.97664 4.93516 5.39801 4.68668 3.66473 10.3435 9.88575 11.805 8.58427 numMergedOcc 0
49 mol 288 unq 0 iso 0 dist 9.25759 5.97664 4.93516 5.39801 4.68668 3.66473 10.3435 9.88575 11.805 8.58427 numMergedOcc 0
50 mol 289 unq 0 iso 0 dist 9.25759 5.97664 4.93516 5.39801 4.68668 3.66473 10.3435 9.88575 11.805 8.58427 numMergedOcc 0
