0 mol 24 unq 0 iso 0 dist 7.85986 9.63925 8.25818 5.80953 11.1587 7.7447 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.69709 10.8722 7.08766 18.1707 16.0765 9.2146 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 5.53419 3.57198 3.77542 5.43693 6.08836 5.4713 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 5.7836 11.505 6.5241 15.6785 9.94951 7.78689 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 7.32996 13.357 8.0812 16.0533 8.95384 7.70645 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 5.82264 11.5388 6.36817 15.4035 9.7018 7.70645 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 7.20729 13.697 8.22812 16.2743 9.26377 7.78689 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 5.73454 3.65036 5.37439 9.39276 4.10953 7.7927 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 5.73454 3.65036 5.37439 9.00368 5.46483 6.17378 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 8.2012 3.65036 8.3714 9.39276 5.70353 7.7927 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 8.2012 3.65036 8.3714 9.00368 7.86518 6.17378 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 8.56365 6.34854 6.36817 12.7381 9.7018 7.70645 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 7.47783 6.34854 8.0812 12.7381 8.95384 7.70645 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 8.74151 6.34854 4.17933 12.7381 4.57947 7.70645 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 8.69662 6.34854 5.54893 12.7381 4.60843 7.70645 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 7.1829 3.65036 6.36817 9.39276 11.246 7.7927 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 7.1829 3.65036 6.36817 9.00368 9.92075 6.17378 numMergedOcc 0
17 mol 68 unq 0 iso 0 dist 9.87699 3.56619 7.7485 10.6667 7.98805 8.19932 numMergedOcc 0
18 mol 79 unq 0 iso 0 dist 8.84225 6.07693 4.15789 11.5917 4.69555 7.92114 numMergedOcc 0
19 mol 79 unq 1 iso 0 dist 8.84225 6.07693 4.15789 8.02443 6.49084 8.18375 numMergedOcc 0
20 mol 79 unq 2 iso 0 dist 5.79139 4.31939 6.20144 8.50427 7.19532 4.74254 numMergedOcc 0
21 mol 79 unq 3 iso 0 dist 7.63923 5.41884 6.20144 6.5551 7.19532 4.74254 numMergedOcc 0
22 mol 79 unq 4 iso 0 dist 6.72546 5.25584 4.15789 11.3093 4.69555 7.92114 numMergedOcc 0
23 mol 79 unq 5 iso 0 dist 6.72546 5.25584 4.15789 9.09458 6.49084 8.18375 numMergedOcc 0
24 mol 85 unq 0 iso 0 dist 8.04853 5.22259 6.67137 5.05893 3.65186 4.29937 numMergedOcc 0
25 mol 85 unq 1 iso 0 dist 8.04853 5.22259 6.67137 5.71866 7.00044 3.65628 numMergedOcc 0
26 mol 85 unq 2 iso 0 dist 8.04853 5.22259 6.67137 11.3323 16.1804 9.77774 numMergedOcc 0
27 mol 85 unq 3 iso 0 dist 8.04853 7.66499 7.04244 5.05893 3.65186 5.37869 numMergedOcc 0
28 mol 85 unq 4 iso 0 dist 8.04853 7.66499 7.04244 5.71866 7.00044 4.05415 numMergedOcc 0
29 mol 85 unq 5 iso 0 dist 8.04853 7.66499 7.04244 11.3323 16.1804 9.97944 numMergedOcc 0
30 mol 107 unq 0 iso 0 dist 7.89505 8.49625 8.19484 11.6742 8.32169 5.31375 numMergedOcc 0
31 mol 107 unq 1 iso 0 dist 7.89505 8.49625 8.19484 5.33764 3.40943 6.49371 numMergedOcc 0
32 mol 113 unq 0 iso 0 dist 7.40338 6.29259 5.31126 9.30645 9.59189 8.67025 numMergedOcc 0
33 mol 113 unq 1 iso 0 dist 7.40338 7.08122 7.16619 15.7833 13.8379 9.60127 numMergedOcc 0
34 mol 113 unq 2 iso 0 dist 6.23759 8.17309 5.31126 10.6797 9.59189 8.67025 numMergedOcc 0
35 mol 113 unq 3 iso 0 dist 6.23759 9.30967 7.16619 18.0904 13.8379 9.60127 numMergedOcc 0
36 mol 113 unq 4 iso 0 dist 9.62952 14.7833 7.02358 11.5006 3.52445 4.30875 numMergedOcc 0
37 mol 131 unq 0 iso 0 dist 7.84546 4.94367 7.53342 7.75314 6.95147 8.49847 numMergedOcc 0
38 mol 169 unq 0 iso 0 dist 5.41121 3.83687 6.96715 9.15283 13.5169 9.06172 numMergedOcc 0
39 mol 169 unq 1 iso 0 dist 5.41121 3.83687 6.96715 9.68143 14.673 8.93091 numMergedOcc 0
40 mol 169 unq 2 iso 0 dist 7.85698 6.28646 5.10589 10.034 9.60496 8.6961 numMergedOcc 0
41 mol 169 unq 3 iso 0 dist 6.35799 7.83748 5.10589 11.0016 9.60496 8.6961 numMergedOcc 0
42 mol 169 unq 4 iso 0 dist 9.84538 14.1141 5.10589 10.1399 3.18152 7.65903 numMergedOcc 0
43 mol 169 unq 5 iso 0 dist 9.84538 13.1539 4.63336 10.1399 3.18152 5.97653 numMergedOcc 0
44 mol 169 unq 6 iso 0 dist 9.84538 11.6489 6.10715 10.1399 3.18152 7.75523 numMergedOcc 0
45 mol 186 unq 0 iso 0 dist 9.31569 9.73374 7.25595 12.7579 3.60793 8.17928 numMergedOcc 0
46 mol 186 unq 1 iso 0 dist 8.72743 14.2269 7.25595 9.45907 3.60793 8.17928 numMergedOcc 0
47 mol 194 unq 0 iso 0 dist 8.43182 3.7326 5.10542 4.19371 9.23342 4.45769 numMergedOcc 0
48 mol 194 unq 1 iso 0 dist 8.43182 3.7326 5.10542 9.71015 11.7699 8.99961 numMergedOcc 0
49 mol 194 unq 2 iso 0 dist 8.43182 7.29209 4.68722 4.19371 9.23342 5.89939 numMergedOcc 0
50 mol 194 unq 3 iso 0 dist 8.43182 7.29209 4.68722 9.71015 11.7699 8.18853 numMergedOcc 0
51 mol 214 unq 0 iso 0 dist 5.05626 6.28944 8.66082 5.31416 3.14057 9.59928 numMergedOcc 0
52 mol 214 unq 1 iso 0 dist 5.05626 6.28944 8.66082 5.44533 7.87816 7.70062 numMergedOcc 0
53 mol 214 unq 2 iso 0 dist 8.41013 6.28944 7.96338 5.31416 8.88633 9.59928 numMergedOcc 0
54 mol 214 unq 3 iso 0 dist 8.41013 6.28944 7.96338 5.44533 3.64285 7.70062 numMergedOcc 0
55 mol 214 unq 4 iso 0 dist 8.41013 7.23583 7.42759 5.44533 3.64285 7.66702 numMergedOcc 0
56 mol 254 unq 0 iso 0 dist 9.50951 11.9238 9.20109 13.3341 10.929 5.6417 numMergedOcc 0
57 mol 254 unq 1 iso 0 dist 9.50951 11.9238 9.20109 11.1806 10.706 7.42831 numMergedOcc 0
58 mol 260 unq 0 iso 0 dist 6.49413 7.28821 8.62655 12.6653 15.6308 9.73217 numMergedOcc 0
59 mol 260 unq 1 iso 0 dist 6.49413 7.28821 8.62655 9.31888 7.35802 7.49606 numMergedOcc 0
60 mol 260 unq 2 iso 0 dist 6.49413 7.28821 8.62655 12.9444 10.4054 8.06377 numMergedOcc 0
61 mol 260 unq 3 iso 0 dist 6.12343 3.60349 7.04263 6.75725 8.22506 8.51564 numMergedOcc 0
62 mol 260 unq 4 iso 0 dist 4.52405 3.60349 6.48099 6.75725 3.68866 8.51564 numMergedOcc 0
63 mol 285 unq 0 iso 0 dist 8.79261 8.78384 5.88958 16.3628 10.5542 7.73438 numMergedOcc 0
64 mol 285 unq 1 iso 0 dist 9.99125 8.78384 7.78121 16.3628 12.5361 7.73438 numMergedOcc 0
65 mol 287 unq 0 iso 0 dist 8.58427 9.88575 4.68668 11.805 3.66473 4.93516 numMergedOcc 0
66 mol 288 unq 0 iso 0 dist 8.58427 9.88575 4.68668 11.805 3.66473 4.93516 numMergedOcc 0
67 mol 289 unq 0 iso 0 dist 8.58427 9.88575 4.68668 11.805 3.66473 4.93516 numMergedOcc 0
