0 mol 24 unq 0 iso 0 dist 5.65754 10.0962 8.25818 8.3964 9.63925 7.85986 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 7.7871 10.8275 7.08766 17.865 10.8722 8.69709 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 5.43913 5.39197 8.65524 6.42242 10.8889 7.20729 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.26877 5.39197 8.22812 6.42242 13.697 7.20729 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 8.26877 12.4977 6.5241 16.329 11.505 5.7836 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.99434 12.2756 8.22812 18.264 13.697 7.20729 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 7.99434 12.7252 6.5241 18.3273 11.505 5.7836 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 7.49794 11.8742 6.36817 16.1289 11.5388 5.82264 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 7.49794 11.8742 6.36817 5.60663 6.34854 8.56365 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 7.49794 5.44298 8.0812 6.8073 13.357 7.32996 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 7.49794 5.44298 8.0812 5.60663 6.34854 7.47783 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 7.49794 9.10301 4.17933 5.60663 6.34854 8.74151 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 7.49794 7.24268 5.54893 5.60663 6.34854 8.69662 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 8.10222 12.6437 6.36817 18.3262 11.5388 5.82264 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 8.10222 12.6437 6.36817 13.8239 6.34854 8.56365 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 8.10222 12.0687 8.0812 17.9914 13.357 7.32996 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 8.10222 12.0687 8.0812 13.8239 6.34854 7.47783 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 8.10222 7.88988 4.17933 13.8239 6.34854 8.74151 numMergedOcc 0
18 mol 48 unq 16 iso 0 dist 8.10222 8.00934 5.54893 13.8239 6.34854 8.69662 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 7.75543 6.51961 4.15789 11.625 4.37918 6.2576 numMergedOcc 0
20 mol 79 unq 1 iso 0 dist 7.75543 6.51961 4.15789 15.1951 9.08423 8.96069 numMergedOcc 0
21 mol 79 unq 2 iso 0 dist 7.75543 6.51961 4.15789 11.3356 6.29733 7.56495 numMergedOcc 0
22 mol 79 unq 3 iso 0 dist 7.75543 4.08459 4.808 9.22889 6.0298 5.79139 numMergedOcc 0
23 mol 79 unq 4 iso 0 dist 7.75543 4.08459 4.808 11.3356 6.29733 7.63923 numMergedOcc 0
24 mol 79 unq 5 iso 0 dist 4.2253 8.65653 6.20144 6.64915 4.31939 5.79139 numMergedOcc 0
25 mol 79 unq 6 iso 0 dist 4.2253 8.65653 6.20144 9.21479 5.41884 7.63923 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 8.66427 13.8217 7.04244 15.0808 7.66499 8.04853 numMergedOcc 0
27 mol 85 unq 1 iso 0 dist 7.51319 6.90443 6.67137 9.18097 5.22259 8.04853 numMergedOcc 0
28 mol 85 unq 2 iso 0 dist 8.49887 6.90443 7.04244 9.18097 7.66499 8.04853 numMergedOcc 0
29 mol 85 unq 3 iso 0 dist 9.43839 14.6513 6.67137 8.83135 5.22259 8.04853 numMergedOcc 0
30 mol 92 unq 0 iso 0 dist 4.91714 3.63696 8.10623 5.74593 3.98877 8.4219 numMergedOcc 0
31 mol 92 unq 1 iso 0 dist 8.01266 4.65353 8.55237 6.6186 4.15826 9.22418 numMergedOcc 0
32 mol 98 unq 0 iso 0 dist 9.45257 7.22521 6.5816 16.2375 9.43399 9.90672 numMergedOcc 0
33 mol 98 unq 1 iso 0 dist 9.45257 7.22521 6.5816 7.48563 3.61204 7.55367 numMergedOcc 0
34 mol 107 unq 0 iso 0 dist 7.2168 15.3177 8.19484 13.4265 8.49625 7.89505 numMergedOcc 0
35 mol 194 unq 0 iso 0 dist 7.56217 11.7008 5.10542 5.4455 3.7326 8.43182 numMergedOcc 0
36 mol 194 unq 1 iso 0 dist 9.81055 11.7008 4.68722 5.4455 7.29209 8.43182 numMergedOcc 0
37 mol 206 unq 0 iso 0 dist 9.58346 8.44261 6.80296 11.0073 5.6074 5.17607 numMergedOcc 0
38 mol 206 unq 1 iso 0 dist 9.60549 13.8891 6.80296 14.2242 5.6074 5.17607 numMergedOcc 0
39 mol 214 unq 0 iso 0 dist 9.53899 6.49466 7.42759 13.8459 7.23583 8.41013 numMergedOcc 0
40 mol 253 unq 0 iso 0 dist 6.93942 8.8893 8.66299 9.29788 5.68255 9.73723 numMergedOcc 0
41 mol 253 unq 1 iso 0 dist 9.31626 13.3075 8.66299 9.50983 5.68255 9.73723 numMergedOcc 0
42 mol 254 unq 0 iso 0 dist 9.84028 11.2466 9.20109 7.28781 11.9238 9.50951 numMergedOcc 0
43 mol 256 unq 0 iso 0 dist 6.33954 6.51471 5.58222 9.65136 5.59732 4.36333 numMergedOcc 0
44 mol 256 unq 1 iso 0 dist 6.33954 6.51471 5.58222 9.47921 3.96807 6.96483 numMergedOcc 0
45 mol 260 unq 0 iso 0 dist 6.90472 11.9315 8.62655 10.4828 7.28821 6.49413 numMergedOcc 0
46 mol 287 unq 0 iso 0 dist 8.17436 9.08224 4.68668 16.4703 9.88575 8.58427 numMergedOcc 0
47 mol 288 unq 0 iso 0 dist 8.17436 9.08224 4.68668 16.4703 9.88575 8.58427 numMergedOcc 0
48 mol 289 unq 0 iso 0 dist 8.17436 9.08224 4.68668 16.4703 9.88575 8.58427 numMergedOcc 0
