0 mol 24 unq 0 iso 0 dist 7.61183 5.37421 7.7447 14.3151 8.25818 11.1587 10.9641 9.63925 5.80953 7.85986 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 7.44805 3.66253 5.4713 6.81182 3.77542 6.08836 6.02472 3.57198 5.43693 5.53419 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.89752 9.11789 7.7927 6.42565 5.37439 4.10953 7.1796 3.65036 9.39276 5.73454 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.89752 9.11789 7.7927 5.7824 8.3714 5.70353 7.1796 3.65036 9.39276 8.2012 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.89752 9.11789 7.7927 3.72746 6.36817 11.246 7.1796 3.65036 9.39276 7.1829 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.89752 8.94949 6.17378 6.42565 5.37439 5.46483 7.1796 3.65036 9.00368 5.73454 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 6.89752 8.94949 6.17378 5.7824 8.3714 7.86518 7.1796 3.65036 9.00368 8.2012 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 6.89752 8.94949 6.17378 3.72746 6.36817 9.92075 7.1796 3.65036 9.00368 7.1829 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 8.67342 7.74857 4.29937 4.8069 6.67137 3.65186 11.1537 5.22259 5.05893 8.04853 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 8.67342 10.4876 3.65628 4.8069 6.67137 7.00044 11.1537 5.22259 5.71866 8.04853 numMergedOcc 0
10 mol 85 unq 2 iso 0 dist 8.67342 18.2213 9.77774 4.8069 6.67137 16.1804 11.1537 5.22259 11.3323 8.04853 numMergedOcc 0
11 mol 85 unq 3 iso 0 dist 8.60062 7.74857 5.37869 4.8069 7.04244 3.65186 11.1537 7.66499 5.05893 8.04853 numMergedOcc 0
12 mol 85 unq 4 iso 0 dist 8.60062 10.4876 4.05415 4.8069 7.04244 7.00044 11.1537 7.66499 5.71866 8.04853 numMergedOcc 0
13 mol 85 unq 5 iso 0 dist 8.60062 18.2213 9.97944 4.8069 7.04244 16.1804 11.1537 7.66499 11.3323 8.04853 numMergedOcc 0
14 mol 85 unq 6 iso 0 dist 5.73739 9.36582 4.29937 10.0178 6.67137 3.65186 10.2791 5.22259 5.05893 8.04853 numMergedOcc 0
15 mol 85 unq 7 iso 0 dist 5.73739 8.8983 3.65628 10.0178 6.67137 7.00044 10.2791 5.22259 5.71866 8.04853 numMergedOcc 0
16 mol 85 unq 8 iso 0 dist 5.73739 11.1809 9.77774 10.0178 6.67137 16.1804 10.2791 5.22259 11.3323 8.04853 numMergedOcc 0
17 mol 85 unq 9 iso 0 dist 5.16225 9.36582 5.37869 10.0178 7.04244 3.65186 10.2791 7.66499 5.05893 8.04853 numMergedOcc 0
18 mol 85 unq 10 iso 0 dist 5.16225 8.8983 4.05415 10.0178 7.04244 7.00044 10.2791 7.66499 5.71866 8.04853 numMergedOcc 0
19 mol 85 unq 11 iso 0 dist 5.16225 11.1809 9.97944 10.0178 7.04244 16.1804 10.2791 7.66499 11.3323 8.04853 numMergedOcc 0
20 mol 131 unq 0 iso 0 dist 7.34765 9.35007 8.49847 3.82317 7.53342 6.95147 9.75061 4.94367 7.75314 7.84546 numMergedOcc 0
21 mol 169 unq 0 iso 0 dist 6.27378 7.58935 8.6961 10.1931 5.10589 9.60496 5.82321 6.28646 10.034 7.85698 numMergedOcc 0
22 mol 169 unq 1 iso 0 dist 6.27378 7.58935 8.6961 10.1931 5.10589 9.60496 9.47253 7.83748 11.0016 6.35799 numMergedOcc 0
23 mol 254 unq 0 iso 0 dist 9.83135 7.03003 5.6417 12.319 9.20109 10.929 18.4688 11.9238 13.3341 9.50951 numMergedOcc 0
24 mol 254 unq 1 iso 0 dist 9.83135 9.54026 7.42831 12.319 9.20109 10.706 18.4688 11.9238 11.1806 9.50951 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 4.76164 14.0954 9.73217 9.45061 8.62655 15.6308 10.1774 7.28821 12.6653 6.49413 numMergedOcc 0
26 mol 260 unq 1 iso 0 dist 4.76164 4.58993 7.49606 9.45061 8.62655 7.35802 10.1774 7.28821 9.31888 6.49413 numMergedOcc 0
27 mol 260 unq 2 iso 0 dist 4.76164 3.69763 8.06377 9.45061 8.62655 10.4054 10.1774 7.28821 12.9444 6.49413 numMergedOcc 0
28 mol 287 unq 0 iso 0 dist 5.55176 5.06236 4.93516 5.13698 4.68668 3.66473 12.6821 9.88575 11.805 8.58427 numMergedOcc 0
29 mol 288 unq 0 iso 0 dist 5.55176 5.06236 4.93516 5.13698 4.68668 3.66473 12.6821 9.88575 11.805 8.58427 numMergedOcc 0
30 mol 289 unq 0 iso 0 dist 5.55176 5.06236 4.93516 5.13698 4.68668 3.66473 12.6821 9.88575 11.805 8.58427 numMergedOcc 0
