0 mol 24 unq 0 iso 0 dist 8.3964 10.0962 7.85986 5.65754 9.63925 8.25818 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.58962 7.65753 7.37118 10.5563 8.00615 4.75881 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 9.95325 5.93713 7.37118 10.6218 8.00615 4.75881 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 6.8073 10.5685 5.7836 12.0466 6.17529 5.54472 numMergedOcc 0
4 mol 48 unq 1 iso 0 dist 6.8073 10.5685 5.7836 14.9397 9.78584 8.62369 numMergedOcc 0
5 mol 48 unq 2 iso 0 dist 6.8073 10.5685 5.7836 14.7399 11.505 6.5241 numMergedOcc 0
6 mol 48 unq 3 iso 0 dist 6.8073 5.44298 7.32996 7.49794 13.357 8.0812 numMergedOcc 0
7 mol 48 unq 4 iso 0 dist 8.68989 5.29743 8.40186 12.6509 7.06935 9.05737 numMergedOcc 0
8 mol 48 unq 5 iso 0 dist 6.42242 10.1874 5.82264 11.762 6.30002 5.37439 numMergedOcc 0
9 mol 48 unq 6 iso 0 dist 6.42242 10.1874 5.82264 14.543 9.72383 8.3714 numMergedOcc 0
10 mol 48 unq 7 iso 0 dist 6.42242 10.1874 5.82264 14.3966 11.5388 6.36817 numMergedOcc 0
11 mol 48 unq 8 iso 0 dist 6.42242 5.39197 7.20729 5.43913 10.8889 8.65524 numMergedOcc 0
12 mol 48 unq 9 iso 0 dist 6.42242 5.39197 7.20729 8.26877 13.697 8.22812 numMergedOcc 0
13 mol 48 unq 10 iso 0 dist 5.60663 11.8742 8.56365 15.2873 11.2833 5.37439 numMergedOcc 0
14 mol 48 unq 11 iso 0 dist 5.60663 11.8742 8.56365 16.0126 12.3471 8.3714 numMergedOcc 0
15 mol 48 unq 12 iso 0 dist 5.60663 11.8742 8.56365 7.49794 6.34854 6.36817 numMergedOcc 0
16 mol 48 unq 13 iso 0 dist 5.60663 5.44298 7.47783 7.49794 6.34854 8.0812 numMergedOcc 0
17 mol 48 unq 14 iso 0 dist 5.60663 9.10301 8.74151 7.49794 6.34854 4.17933 numMergedOcc 0
18 mol 48 unq 15 iso 0 dist 5.60663 7.24268 8.69662 7.49794 6.34854 5.54893 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 9.22889 4.08459 5.79139 10.1173 4.31939 6.20144 numMergedOcc 0
20 mol 79 unq 1 iso 0 dist 9.22889 4.08459 5.79139 7.75543 6.0298 4.808 numMergedOcc 0
21 mol 79 unq 2 iso 0 dist 6.64915 8.65653 5.79139 4.2253 4.31939 6.20144 numMergedOcc 0
22 mol 79 unq 3 iso 0 dist 6.64915 8.65653 5.79139 10.9812 6.0298 4.808 numMergedOcc 0
23 mol 85 unq 0 iso 0 dist 9.18097 6.90443 8.04853 7.51319 5.22259 6.67137 numMergedOcc 0
24 mol 85 unq 1 iso 0 dist 9.18097 6.90443 8.04853 8.49887 7.66499 7.04244 numMergedOcc 0
25 mol 85 unq 2 iso 0 dist 8.83135 14.6513 8.04853 9.43839 5.22259 6.67137 numMergedOcc 0
26 mol 85 unq 3 iso 0 dist 8.83135 14.6513 8.04853 10.329 7.66499 7.04244 numMergedOcc 0
27 mol 92 unq 0 iso 0 dist 5.74593 3.63696 8.4219 4.91714 3.98877 8.10623 numMergedOcc 0
28 mol 92 unq 1 iso 0 dist 6.6186 4.65353 9.22418 8.01266 4.15826 8.55237 numMergedOcc 0
29 mol 93 unq 0 iso 0 dist 7.13064 9.6722 5.56839 10.8178 5.01255 5.20429 numMergedOcc 0
30 mol 93 unq 1 iso 0 dist 7.13064 9.6722 5.56839 15.4206 9.11323 8.71366 numMergedOcc 0
31 mol 93 unq 2 iso 0 dist 7.8962 9.6722 7.83506 10.8178 8.98901 5.20429 numMergedOcc 0
32 mol 93 unq 3 iso 0 dist 7.8962 9.6722 7.83506 15.4206 8.52329 8.71366 numMergedOcc 0
33 mol 98 unq 0 iso 0 dist 7.48563 7.22521 7.55367 9.45257 3.61204 6.5816 numMergedOcc 0
34 mol 101 unq 0 iso 0 dist 7.73086 4.4529 9.44645 12.1836 13.0976 8.19144 numMergedOcc 0
35 mol 123 unq 0 iso 0 dist 9.52442 9.9391 9.42762 11.4598 4.10526 8.78115 numMergedOcc 0
36 mol 123 unq 1 iso 0 dist 9.52442 14.0666 7.30244 15.5849 7.88813 5.56127 numMergedOcc 0
37 mol 123 unq 2 iso 0 dist 9.52442 14.0666 7.30244 11.4598 4.10526 8.03692 numMergedOcc 0
38 mol 123 unq 3 iso 0 dist 9.52442 14.0666 7.30244 18.7864 12.6384 5.36214 numMergedOcc 0
39 mol 128 unq 0 iso 0 dist 7.61237 8.12622 7.4442 10.8876 6.30769 6.08651 numMergedOcc 0
40 mol 194 unq 0 iso 0 dist 5.4455 11.7008 8.43182 7.56217 3.7326 5.10542 numMergedOcc 0
41 mol 194 unq 1 iso 0 dist 5.4455 11.7008 8.43182 9.81055 7.29209 4.68722 numMergedOcc 0
42 mol 198 unq 0 iso 0 dist 8.28295 7.8747 8.78623 10.5362 5.92533 7.38825 numMergedOcc 0
43 mol 232 unq 0 iso 0 dist 6.83927 6.92845 9.89191 15.0291 16.2332 9.64861 numMergedOcc 0
44 mol 253 unq 0 iso 0 dist 9.29788 8.8893 9.73723 6.93942 5.68255 8.66299 numMergedOcc 0
45 mol 253 unq 1 iso 0 dist 9.50983 13.3075 9.73723 9.31626 5.68255 8.66299 numMergedOcc 0
46 mol 254 unq 0 iso 0 dist 7.28781 11.2466 9.50951 9.84028 11.9238 9.20109 numMergedOcc 0
47 mol 254 unq 1 iso 0 dist 7.00841 11.9928 9.50951 14.9698 11.9238 9.20109 numMergedOcc 0
48 mol 256 unq 0 iso 0 dist 9.65136 6.51471 4.36333 6.33954 5.59732 5.58222 numMergedOcc 0
49 mol 256 unq 1 iso 0 dist 7.54955 5.24147 4.36333 10.6552 5.59732 5.58222 numMergedOcc 0
