0 mol 24 unq 0 iso 0 dist 5.65754 5.61248 7.7447 10.0962 8.25818 11.1587 8.3964 9.63925 5.80953 7.85986 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 7.7871 11.0435 9.2146 10.8275 7.08766 16.0765 17.865 10.8722 18.1707 8.69709 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.26877 12.0497 7.78689 5.39197 8.22812 9.26377 6.42242 13.697 16.2743 7.20729 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 8.26877 12.0497 7.78689 12.4977 6.5241 9.94951 16.329 11.505 15.6785 5.7836 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 7.99434 5.76698 7.78689 12.2756 8.22812 9.26377 18.264 13.697 16.2743 7.20729 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 7.99434 5.76698 7.78689 12.7252 6.5241 9.94951 18.3273 11.505 15.6785 5.7836 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 7.49794 11.3706 7.70645 11.8742 6.36817 9.7018 16.1289 11.5388 15.4035 5.82264 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 7.49794 11.3706 7.70645 11.8742 6.36817 9.7018 5.60663 6.34854 12.7381 8.56365 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 7.49794 11.3706 7.70645 5.44298 8.0812 8.95384 6.8073 13.357 16.0533 7.32996 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 7.49794 11.3706 7.70645 5.44298 8.0812 8.95384 5.60663 6.34854 12.7381 7.47783 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 7.49794 11.3706 7.70645 9.10301 4.17933 4.57947 5.60663 6.34854 12.7381 8.74151 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 7.49794 11.3706 7.70645 7.24268 5.54893 4.60843 5.60663 6.34854 12.7381 8.69662 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 8.10222 5.75684 7.70645 12.6437 6.36817 9.7018 18.3262 11.5388 15.4035 5.82264 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 8.10222 5.75684 7.70645 12.6437 6.36817 9.7018 13.8239 6.34854 12.7381 8.56365 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 8.10222 5.75684 7.70645 12.0687 8.0812 8.95384 17.9914 13.357 16.0533 7.32996 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 8.10222 5.75684 7.70645 12.0687 8.0812 8.95384 13.8239 6.34854 12.7381 7.47783 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 8.10222 5.75684 7.70645 7.88988 4.17933 4.57947 13.8239 6.34854 12.7381 8.74151 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 8.10222 5.75684 7.70645 8.00934 5.54893 4.60843 13.8239 6.34854 12.7381 8.69662 numMergedOcc 0
18 mol 79 unq 0 iso 0 dist 4.2253 5.21981 4.74254 8.65653 6.20144 7.19532 6.64915 4.31939 8.50427 5.79139 numMergedOcc 0
19 mol 79 unq 1 iso 0 dist 4.2253 5.21981 4.74254 8.65653 6.20144 7.19532 9.21479 5.41884 6.5551 7.63923 numMergedOcc 0
20 mol 85 unq 0 iso 0 dist 8.66427 12.4236 5.37869 13.8217 7.04244 3.65186 15.0808 7.66499 5.05893 8.04853 numMergedOcc 0
21 mol 85 unq 1 iso 0 dist 8.66427 9.61831 4.05415 13.8217 7.04244 7.00044 15.0808 7.66499 5.71866 8.04853 numMergedOcc 0
22 mol 85 unq 2 iso 0 dist 8.66427 11.3963 9.97944 13.8217 7.04244 16.1804 15.0808 7.66499 11.3323 8.04853 numMergedOcc 0
23 mol 85 unq 3 iso 0 dist 7.51319 8.08787 4.29937 6.90443 6.67137 3.65186 9.18097 5.22259 5.05893 8.04853 numMergedOcc 0
24 mol 85 unq 4 iso 0 dist 7.51319 10.4844 3.65628 6.90443 6.67137 7.00044 9.18097 5.22259 5.71866 8.04853 numMergedOcc 0
25 mol 85 unq 5 iso 0 dist 7.51319 16.4231 9.77774 6.90443 6.67137 16.1804 9.18097 5.22259 11.3323 8.04853 numMergedOcc 0
26 mol 85 unq 6 iso 0 dist 8.49887 8.08787 5.37869 6.90443 7.04244 3.65186 9.18097 7.66499 5.05893 8.04853 numMergedOcc 0
27 mol 85 unq 7 iso 0 dist 8.49887 10.4844 4.05415 6.90443 7.04244 7.00044 9.18097 7.66499 5.71866 8.04853 numMergedOcc 0
28 mol 85 unq 8 iso 0 dist 8.49887 16.4231 9.97944 6.90443 7.04244 16.1804 9.18097 7.66499 11.3323 8.04853 numMergedOcc 0
29 mol 85 unq 9 iso 0 dist 9.43839 11.053 4.29937 14.6513 6.67137 3.65186 8.83135 5.22259 5.05893 8.04853 numMergedOcc 0
30 mol 85 unq 10 iso 0 dist 9.43839 7.97629 3.65628 14.6513 6.67137 7.00044 8.83135 5.22259 5.71866 8.04853 numMergedOcc 0
31 mol 85 unq 11 iso 0 dist 9.43839 5.46713 9.77774 14.6513 6.67137 16.1804 8.83135 5.22259 11.3323 8.04853 numMergedOcc 0
32 mol 107 unq 0 iso 0 dist 7.2168 9.89064 5.31375 15.3177 8.19484 8.32169 13.4265 8.49625 11.6742 7.89505 numMergedOcc 0
33 mol 107 unq 1 iso 0 dist 7.2168 13.076 6.49371 15.3177 8.19484 3.40943 13.4265 8.49625 5.33764 7.89505 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 7.56217 5.39223 4.45769 11.7008 5.10542 9.23342 5.4455 3.7326 4.19371 8.43182 numMergedOcc 0
35 mol 194 unq 1 iso 0 dist 7.56217 7.15294 8.99961 11.7008 5.10542 11.7699 5.4455 3.7326 9.71015 8.43182 numMergedOcc 0
36 mol 194 unq 2 iso 0 dist 9.81055 5.39223 5.89939 11.7008 4.68722 9.23342 5.4455 7.29209 4.19371 8.43182 numMergedOcc 0
37 mol 194 unq 3 iso 0 dist 9.81055 7.15294 8.18853 11.7008 4.68722 11.7699 5.4455 7.29209 9.71015 8.43182 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 9.53899 10.0389 7.66702 6.49466 7.42759 3.64285 13.8459 7.23583 5.44533 8.41013 numMergedOcc 0
39 mol 254 unq 0 iso 0 dist 9.84028 8.2786 5.6417 11.2466 9.20109 10.929 7.28781 11.9238 13.3341 9.50951 numMergedOcc 0
40 mol 254 unq 1 iso 0 dist 9.84028 5.20737 7.42831 11.2466 9.20109 10.706 7.28781 11.9238 11.1806 9.50951 numMergedOcc 0
41 mol 260 unq 0 iso 0 dist 6.90472 4.35925 9.73217 11.9315 8.62655 15.6308 10.4828 7.28821 12.6653 6.49413 numMergedOcc 0
42 mol 260 unq 1 iso 0 dist 6.90472 13.8859 7.49606 11.9315 8.62655 7.35802 10.4828 7.28821 9.31888 6.49413 numMergedOcc 0
43 mol 260 unq 2 iso 0 dist 6.90472 13.5662 8.06377 11.9315 8.62655 10.4054 10.4828 7.28821 12.9444 6.49413 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 8.17436 7.94344 4.93516 9.08224 4.68668 3.66473 16.4703 9.88575 11.805 8.58427 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 8.17436 7.94344 4.93516 9.08224 4.68668 3.66473 16.4703 9.88575 11.805 8.58427 numMergedOcc 0
46 mol 289 unq 0 iso 0 dist 8.17436 7.94344 4.93516 9.08224 4.68668 3.66473 16.4703 9.88575 11.805 8.58427 numMergedOcc 0
