0 mol 24 unq 0 iso 0 dist 6.61696 7.85986 9.24731 9.63925 13.302 8.25818 5.80953 10.7501 11.1587 7.7447 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.03404 5.7836 6.71583 11.505 12.3189 6.5241 15.6785 14.1927 9.94951 7.78689 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.03404 7.32996 3.34853 13.357 11.3096 8.0812 16.0533 11.658 8.95384 7.70645 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 6.07052 5.82264 6.77378 11.5388 12.2099 6.36817 15.4035 13.8601 9.7018 7.70645 numMergedOcc 0
4 mol 48 unq 3 iso 0 dist 6.07052 7.20729 3.3785 13.697 11.456 8.22812 16.2743 11.8257 9.26377 7.78689 numMergedOcc 0
5 mol 79 unq 0 iso 0 dist 9.77084 7.63923 10.6375 5.41884 10.8282 6.20144 6.5551 6.48468 7.19532 4.74254 numMergedOcc 0
6 mol 79 unq 1 iso 0 dist 8.02443 8.84225 6.49084 6.07693 8.18375 4.15789 11.5917 7.11515 4.69555 7.92114 numMergedOcc 0
7 mol 79 unq 2 iso 0 dist 9.09458 6.72546 6.49084 5.25584 8.18375 4.15789 11.3093 7.11515 4.69555 7.92114 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 5.05893 8.04853 3.65186 5.22259 4.29937 6.67137 5.71866 3.78063 7.00044 3.65628 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 5.05893 8.04853 3.65186 5.22259 4.29937 6.67137 11.3323 13.0538 16.1804 9.77774 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 5.71866 3.78063 7.00044 4.05415 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 5.05893 8.04853 3.65186 7.66499 5.37869 7.04244 11.3323 13.0538 16.1804 9.97944 numMergedOcc 0
12 mol 85 unq 4 iso 0 dist 5.71866 8.04853 7.00044 5.22259 3.65628 6.67137 5.05893 3.78063 3.65186 4.29937 numMergedOcc 0
13 mol 85 unq 5 iso 0 dist 5.71866 8.04853 7.00044 5.22259 3.65628 6.67137 11.3323 9.79029 16.1804 9.77774 numMergedOcc 0
14 mol 85 unq 6 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 5.05893 3.78063 3.65186 5.37869 numMergedOcc 0
15 mol 85 unq 7 iso 0 dist 5.71866 8.04853 7.00044 7.66499 4.05415 7.04244 11.3323 9.79029 16.1804 9.97944 numMergedOcc 0
16 mol 107 unq 0 iso 0 dist 5.33764 7.89505 3.40943 8.49625 6.49371 8.19484 11.6742 7.4799 8.32169 5.31375 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 9.30645 7.40338 9.59189 7.08122 11.1678 7.16619 15.7833 14.4003 13.8379 9.60127 numMergedOcc 0
18 mol 169 unq 0 iso 0 dist 6.0859 7.85698 12.6492 6.28646 10.343 5.10589 10.034 9.44031 9.60496 8.6961 numMergedOcc 0
19 mol 169 unq 1 iso 0 dist 9.15283 5.41121 13.5169 3.83687 9.06172 6.96715 9.68143 3.71099 14.673 8.93091 numMergedOcc 0
20 mol 169 unq 2 iso 0 dist 9.15283 6.35799 12.6492 7.83748 10.343 5.10589 11.0016 9.44031 9.60496 8.6961 numMergedOcc 0
21 mol 169 unq 3 iso 0 dist 6.05009 7.85698 13.7198 6.28646 10.9391 5.10589 10.034 12.5223 9.60496 8.6961 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.92115 9.31569 11.6544 9.73374 11.9623 7.25595 12.7579 13.7221 3.60793 8.17928 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 4.19371 8.43182 9.23342 3.7326 4.45769 5.10542 9.71015 6.41254 11.7699 8.99961 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 4.19371 8.43182 9.23342 7.29209 5.89939 4.68722 9.71015 6.41254 11.7699 8.18853 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 9.71015 8.43182 11.7699 3.7326 8.99961 5.10542 4.19371 6.41254 9.23342 4.45769 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 9.71015 8.43182 11.7699 7.29209 8.18853 4.68722 4.19371 6.41254 9.23342 5.89939 numMergedOcc 0
27 mol 214 unq 0 iso 0 dist 5.31416 5.05626 3.14057 6.28944 9.59928 8.66082 5.44533 5.97842 7.87816 7.70062 numMergedOcc 0
28 mol 214 unq 1 iso 0 dist 5.31416 8.41013 8.88633 6.28944 9.59928 7.96338 5.44533 5.97842 3.64285 7.70062 numMergedOcc 0
29 mol 214 unq 2 iso 0 dist 5.31416 8.41013 8.88633 7.23583 11.1063 7.42759 5.44533 5.97842 3.64285 7.66702 numMergedOcc 0
30 mol 214 unq 3 iso 0 dist 5.44533 5.05626 7.87816 6.28944 7.70062 8.66082 5.31416 5.97842 3.14057 9.59928 numMergedOcc 0
31 mol 214 unq 4 iso 0 dist 5.44533 8.41013 3.64285 6.28944 7.70062 7.96338 5.31416 5.97842 8.88633 9.59928 numMergedOcc 0
32 mol 260 unq 0 iso 0 dist 6.75725 6.49413 8.04546 7.28821 11.8771 8.62655 12.6653 13.6806 15.6308 9.73217 numMergedOcc 0
33 mol 260 unq 1 iso 0 dist 6.75725 6.49413 8.04546 7.28821 11.8771 8.62655 9.31888 14.374 7.35802 7.49606 numMergedOcc 0
34 mol 260 unq 2 iso 0 dist 6.75725 6.49413 8.04546 7.28821 11.8771 8.62655 12.9444 17.3209 10.4054 8.06377 numMergedOcc 0
35 mol 260 unq 3 iso 0 dist 9.31888 6.49413 7.35802 7.28821 7.49606 8.62655 12.6653 17.1683 15.6308 9.73217 numMergedOcc 0
36 mol 260 unq 4 iso 0 dist 9.31888 6.49413 7.35802 7.28821 7.49606 8.62655 12.9444 5.12515 10.4054 8.06377 numMergedOcc 0
37 mol 260 unq 5 iso 0 dist 9.31888 6.12343 9.94995 3.60349 11.5762 7.04263 6.75725 14.374 8.22506 8.51564 numMergedOcc 0
38 mol 260 unq 6 iso 0 dist 9.31888 4.52405 12.8784 3.60349 11.5762 6.48099 6.75725 14.374 3.68866 8.51564 numMergedOcc 0
