D06OXO AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -1.107 4.181 -0.585 1.00 0.00 C HETATM 2 C UNL 1 -0.546 3.380 -1.583 1.00 0.00 C HETATM 3 C UNL 1 0.630 2.698 -1.269 1.00 0.00 C HETATM 4 C UNL 1 0.930 2.441 0.075 1.00 0.00 C HETATM 5 C UNL 1 0.029 2.870 1.061 1.00 0.00 C HETATM 6 C UNL 1 -0.920 3.838 0.738 1.00 0.00 C HETATM 7 C UNL 1 -1.685 4.542 1.815 1.00 0.00 C HETATM 8 S UNL 1 1.677 2.191 -2.549 1.00 0.00 S HETATM 9 N UNL 1 2.812 3.445 -2.687 1.00 0.00 N HETATM 10 C UNL 1 2.484 4.847 -3.138 1.00 0.00 C HETATM 11 C UNL 1 1.986 5.796 -1.923 1.00 0.00 C HETATM 12 N UNL 1 1.474 7.055 -2.202 1.00 0.00 N HETATM 13 C UNL 1 0.940 8.072 -1.218 1.00 0.00 C HETATM 14 C UNL 1 1.967 8.821 -0.292 1.00 0.00 C HETATM 15 N UNL 1 1.557 10.110 0.377 1.00 0.00 N HETATM 16 C UNL 1 1.837 11.344 -0.216 1.00 0.00 C HETATM 17 C UNL 1 1.843 12.657 0.578 1.00 0.00 C HETATM 18 O UNL 1 2.434 1.039 -2.076 1.00 0.00 O HETATM 19 O UNL 1 0.927 2.083 -3.797 1.00 0.00 O HETATM 20 O UNL 1 2.169 5.462 -0.752 1.00 0.00 O HETATM 21 O UNL 1 2.100 11.392 -1.419 1.00 0.00 O HETATM 22 C UNL 1 1.829 13.792 -0.230 1.00 0.00 C HETATM 23 C UNL 1 0.603 14.445 -0.453 1.00 0.00 C HETATM 24 C UNL 1 -0.322 14.326 0.587 1.00 0.00 C HETATM 25 C UNL 1 0.095 13.752 1.793 1.00 0.00 C HETATM 26 C UNL 1 1.149 12.834 1.755 1.00 0.00 C HETATM 27 F UNL 1 1.503 12.177 2.867 1.00 0.00 F HETATM 28 C UNL 1 0.304 14.849 -1.858 1.00 0.00 C HETATM 29 C UNL 1 1.699 4.715 -4.446 1.00 0.00 C HETATM 30 C UNL 1 1.591 5.991 -5.215 1.00 0.00 C HETATM 31 O UNL 1 2.081 7.020 -4.843 1.00 0.00 O HETATM 32 N UNL 1 0.818 5.857 -6.364 1.00 0.00 N HETATM 33 C UNL 1 0.359 7.019 -7.118 1.00 0.00 C HETATM 34 C UNL 1 1.552 7.789 -7.698 1.00 0.00 C HETATM 35 C UNL 1 -0.530 6.550 -8.279 1.00 0.00 C HETATM 36 C UNL 1 -0.489 7.908 -6.189 1.00 0.00 C HETATM 37 C UNL 1 1.328 14.637 -2.791 1.00 0.00 C HETATM 38 C UNL 1 1.088 13.767 -3.851 1.00 0.00 C HETATM 39 C UNL 1 -0.209 13.322 -4.085 1.00 0.00 C HETATM 40 C UNL 1 -1.270 13.924 -3.414 1.00 0.00 C HETATM 41 C UNL 1 -1.000 14.762 -2.341 1.00 0.00 C HETATM 42 F UNL 1 -2.021 15.345 -1.692 1.00 0.00 F HETATM 43 H UNL 1 -1.470 5.170 -0.853 1.00 0.00 H HETATM 44 H UNL 1 -1.190 2.929 -2.326 1.00 0.00 H HETATM 45 H UNL 1 1.835 1.949 0.337 1.00 0.00 H HETATM 46 H UNL 1 0.181 2.553 2.085 1.00 0.00 H HETATM 47 H UNL 1 -2.470 3.894 2.223 1.00 0.00 H HETATM 48 H UNL 1 -2.158 5.452 1.432 1.00 0.00 H HETATM 49 H UNL 1 -1.004 4.837 2.620 1.00 0.00 H HETATM 50 H UNL 1 3.723 3.084 -2.952 1.00 0.00 H HETATM 51 H UNL 1 3.467 5.277 -3.393 1.00 0.00 H HETATM 52 H UNL 1 1.521 7.370 -3.170 1.00 0.00 H HETATM 53 H UNL 1 0.203 7.557 -0.590 1.00 0.00 H HETATM 54 H UNL 1 0.394 8.806 -1.823 1.00 0.00 H HETATM 55 H UNL 1 2.873 9.034 -0.866 1.00 0.00 H HETATM 56 H UNL 1 2.240 8.149 0.527 1.00 0.00 H HETATM 57 H UNL 1 1.445 10.096 1.384 1.00 0.00 H HETATM 58 H UNL 1 2.649 14.507 -0.058 1.00 0.00 H HETATM 59 H UNL 1 -1.361 14.622 0.468 1.00 0.00 H HETATM 60 H UNL 1 -0.450 13.938 2.712 1.00 0.00 H HETATM 61 H UNL 1 0.684 4.359 -4.269 1.00 0.00 H HETATM 62 H UNL 1 2.211 3.999 -5.098 1.00 0.00 H HETATM 63 H UNL 1 0.403 4.953 -6.575 1.00 0.00 H HETATM 64 H UNL 1 2.151 7.136 -8.348 1.00 0.00 H HETATM 65 H UNL 1 2.224 8.172 -6.926 1.00 0.00 H HETATM 66 H UNL 1 1.221 8.647 -8.293 1.00 0.00 H HETATM 67 H UNL 1 0.018 5.901 -8.967 1.00 0.00 H HETATM 68 H UNL 1 -0.907 7.410 -8.851 1.00 0.00 H HETATM 69 H UNL 1 -1.396 5.988 -7.915 1.00 0.00 H HETATM 70 H UNL 1 0.080 8.278 -5.331 1.00 0.00 H HETATM 71 H UNL 1 -1.335 7.341 -5.784 1.00 0.00 H HETATM 72 H UNL 1 -0.881 8.779 -6.721 1.00 0.00 H HETATM 73 H UNL 1 2.365 14.876 -2.548 1.00 0.00 H HETATM 74 H UNL 1 1.928 13.361 -4.405 1.00 0.00 H HETATM 75 H UNL 1 -0.383 12.515 -4.791 1.00 0.00 H HETATM 76 H UNL 1 -2.297 13.685 -3.664 1.00 0.00 H CONECT 1 2 6 43 CONECT 2 1 3 44 CONECT 3 2 4 8 CONECT 4 3 5 45 CONECT 5 4 6 46 CONECT 6 5 1 7 CONECT 7 6 47 48 49 CONECT 8 3 9 18 19 CONECT 9 8 10 50 CONECT 10 29 11 9 51 CONECT 11 12 20 10 CONECT 12 11 13 52 CONECT 13 12 14 53 54 CONECT 14 13 15 55 56 CONECT 15 14 16 57 CONECT 16 15 17 21 CONECT 17 16 22 26 CONECT 18 8 CONECT 19 8 CONECT 20 11 CONECT 21 16 CONECT 22 17 23 58 CONECT 23 22 24 28 CONECT 24 23 25 59 CONECT 25 24 26 60 CONECT 26 25 17 27 CONECT 27 26 CONECT 28 23 37 41 CONECT 29 10 30 61 62 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 63 CONECT 33 32 34 35 36 CONECT 34 33 64 65 66 CONECT 35 33 67 68 69 CONECT 36 33 70 71 72 CONECT 37 28 38 73 CONECT 38 37 39 74 CONECT 39 38 40 75 CONECT 40 39 41 76 CONECT 41 40 28 42 CONECT 42 41 CONECT 43 1 CONECT 44 2 CONECT 45 4 CONECT 46 5 CONECT 47 7 CONECT 48 7 CONECT 49 7 CONECT 50 9 CONECT 51 10 CONECT 52 12 CONECT 53 13 CONECT 54 13 CONECT 55 14 CONECT 56 14 CONECT 57 15 CONECT 58 22 CONECT 59 24 CONECT 60 25 CONECT 61 29 CONECT 62 29 CONECT 63 32 CONECT 64 34 CONECT 65 34 CONECT 66 34 CONECT 67 35 CONECT 68 35 CONECT 69 35 CONECT 70 36 CONECT 71 36 CONECT 72 36 CONECT 73 37 CONECT 74 38 CONECT 75 39 CONECT 76 40 MASTER 0 0 0 0 0 0 0 0 76 0 76 0 END M END $$$$