D0CV9K AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 3.854 -0.507 2.880 1.00 0.00 C HETATM 2 N UNL 1 3.497 -1.865 3.210 1.00 0.00 N HETATM 3 C UNL 1 2.461 -2.417 2.335 1.00 0.00 C HETATM 4 C UNL 1 1.025 -1.633 2.365 1.00 0.00 C HETATM 5 N UNL 1 0.663 -0.695 3.381 1.00 0.00 N HETATM 6 O UNL 1 0.274 -1.844 1.403 1.00 0.00 O HETATM 7 C UNL 1 2.566 -3.957 2.490 1.00 0.00 C HETATM 8 C UNL 1 -0.779 0.087 3.593 1.00 0.00 C HETATM 9 C UNL 1 -1.838 -1.175 3.905 1.00 0.00 C HETATM 10 C UNL 1 -0.786 1.680 4.649 1.00 0.00 C HETATM 11 O UNL 1 0.188 1.852 5.401 1.00 0.00 O HETATM 12 N UNL 1 -1.834 2.888 4.500 1.00 0.00 N HETATM 13 C UNL 1 -2.276 4.565 5.289 1.00 0.00 C HETATM 14 C UNL 1 -1.424 -1.893 5.206 1.00 0.00 C HETATM 15 C UNL 1 -3.295 -0.703 3.952 1.00 0.00 C HETATM 16 C UNL 1 -3.198 4.486 4.043 1.00 0.00 C HETATM 17 C UNL 1 -2.081 4.414 3.019 1.00 0.00 C HETATM 18 C UNL 1 -1.962 2.937 3.028 1.00 0.00 C HETATM 19 C UNL 1 -3.367 6.160 5.633 1.00 0.00 C HETATM 20 C UNL 1 -4.711 5.679 5.217 1.00 0.00 C HETATM 21 N UNL 1 -4.373 5.320 3.855 1.00 0.00 N HETATM 22 H UNL 1 -2.581 4.077 6.231 1.00 0.00 H HETATM 23 C UNL 1 -3.569 8.018 5.299 1.00 0.00 C HETATM 24 S UNL 1 -4.345 6.323 2.504 1.00 0.00 S HETATM 25 O UNL 1 -3.432 7.407 2.743 1.00 0.00 O HETATM 26 H UNL 1 -3.783 3.547 4.186 1.00 0.00 H HETATM 27 C UNL 1 -1.928 -2.387 2.879 1.00 0.00 C HETATM 28 O UNL 1 -4.159 5.482 1.342 1.00 0.00 O HETATM 29 C UNL 1 -6.009 6.903 2.418 1.00 0.00 C HETATM 30 O UNL 1 -2.639 8.784 5.577 1.00 0.00 O HETATM 31 N UNL 1 -4.930 8.628 4.904 1.00 0.00 N HETATM 32 C UNL 1 -5.605 9.981 4.400 1.00 0.00 C HETATM 33 C UNL 1 -5.221 11.287 4.126 1.00 0.00 C HETATM 34 C UNL 1 -6.115 12.338 3.564 1.00 0.00 C HETATM 35 C UNL 1 -7.443 12.084 3.254 1.00 0.00 C HETATM 36 C UNL 1 -7.908 10.956 3.787 1.00 0.00 C HETATM 37 C UNL 1 -7.035 9.899 4.285 1.00 0.00 C HETATM 38 C UNL 1 -9.236 11.068 4.188 1.00 0.00 C HETATM 39 C UNL 1 -9.432 10.435 5.383 1.00 0.00 C HETATM 40 C UNL 1 -8.690 9.279 5.636 1.00 0.00 C HETATM 41 N UNL 1 -7.591 8.875 4.953 1.00 0.00 N HETATM 42 H UNL 1 4.857 -0.293 3.256 1.00 0.00 H HETATM 43 H UNL 1 3.157 0.197 3.333 1.00 0.00 H HETATM 44 H UNL 1 3.872 -0.344 1.797 1.00 0.00 H HETATM 45 H UNL 1 3.347 -2.051 4.195 1.00 0.00 H HETATM 46 H UNL 1 2.808 -2.268 1.299 1.00 0.00 H HETATM 47 H UNL 1 1.303 -0.625 4.157 1.00 0.00 H HETATM 48 H UNL 1 2.259 -4.325 3.473 1.00 0.00 H HETATM 49 H UNL 1 3.619 -4.281 2.361 1.00 0.00 H HETATM 50 H UNL 1 2.013 -4.507 1.720 1.00 0.00 H HETATM 51 H UNL 1 -1.002 0.421 2.571 1.00 0.00 H HETATM 52 H UNL 1 -1.335 -1.201 6.042 1.00 0.00 H HETATM 53 H UNL 1 -0.463 -2.412 5.076 1.00 0.00 H HETATM 54 H UNL 1 -2.145 -2.679 5.477 1.00 0.00 H HETATM 55 H UNL 1 -3.424 0.130 4.663 1.00 0.00 H HETATM 56 H UNL 1 -3.966 -1.525 4.244 1.00 0.00 H HETATM 57 H UNL 1 -3.623 -0.387 2.953 1.00 0.00 H HETATM 58 H UNL 1 -1.137 4.858 3.401 1.00 0.00 H HETATM 59 H UNL 1 -2.165 4.863 2.039 1.00 0.00 H HETATM 60 H UNL 1 -2.936 2.972 2.477 1.00 0.00 H HETATM 61 H UNL 1 -2.375 1.922 2.970 1.00 0.00 H HETATM 62 H UNL 1 -3.284 6.215 6.734 1.00 0.00 H HETATM 63 H UNL 1 -5.563 6.329 5.347 1.00 0.00 H HETATM 64 H UNL 1 -4.974 4.796 5.817 1.00 0.00 H HETATM 65 H UNL 1 -1.043 -3.033 2.867 1.00 0.00 H HETATM 66 H UNL 1 -2.181 -2.081 1.858 1.00 0.00 H HETATM 67 H UNL 1 -2.723 -3.095 3.178 1.00 0.00 H HETATM 68 H UNL 1 -5.996 7.868 1.914 1.00 0.00 H HETATM 69 H UNL 1 -6.434 6.985 3.407 1.00 0.00 H HETATM 70 H UNL 1 -6.574 6.166 1.848 1.00 0.00 H HETATM 71 H UNL 1 -5.734 8.021 4.998 1.00 0.00 H HETATM 72 H UNL 1 -4.255 11.673 4.424 1.00 0.00 H HETATM 73 H UNL 1 -5.798 13.378 3.466 1.00 0.00 H HETATM 74 H UNL 1 -8.114 12.925 2.882 1.00 0.00 H HETATM 75 H UNL 1 -9.896 11.895 3.911 1.00 0.00 H HETATM 76 H UNL 1 -9.921 10.964 6.193 1.00 0.00 H HETATM 77 H UNL 1 -8.959 8.662 6.479 1.00 0.00 H CONECT 1 2 42 43 44 CONECT 2 1 3 45 CONECT 3 7 4 2 46 CONECT 4 5 6 3 CONECT 5 4 8 47 CONECT 6 4 CONECT 7 3 48 49 50 CONECT 8 5 9 10 51 CONECT 9 8 14 15 27 CONECT 10 8 11 12 CONECT 11 10 CONECT 12 13 18 10 CONECT 13 12 16 19 22 CONECT 14 9 52 53 54 CONECT 15 9 55 56 57 CONECT 16 13 17 21 26 CONECT 17 16 18 58 59 CONECT 18 17 12 60 61 CONECT 19 13 20 23 62 CONECT 20 19 21 63 64 CONECT 21 20 16 24 CONECT 22 13 CONECT 23 30 31 19 CONECT 24 25 28 29 21 CONECT 25 24 CONECT 26 16 CONECT 27 9 65 66 67 CONECT 28 24 CONECT 29 24 68 69 70 CONECT 30 23 CONECT 31 23 32 71 CONECT 32 31 33 37 CONECT 33 32 34 72 CONECT 34 33 35 73 CONECT 35 34 36 74 CONECT 36 35 37 38 CONECT 37 36 32 41 CONECT 38 36 39 75 CONECT 39 38 40 76 CONECT 40 39 41 77 CONECT 41 40 37 CONECT 42 1 CONECT 43 1 CONECT 44 1 CONECT 45 2 CONECT 46 3 CONECT 47 5 CONECT 48 7 CONECT 49 7 CONECT 50 7 CONECT 51 8 CONECT 52 14 CONECT 53 14 CONECT 54 14 CONECT 55 15 CONECT 56 15 CONECT 57 15 CONECT 58 17 CONECT 59 17 CONECT 60 18 CONECT 61 18 CONECT 62 19 CONECT 63 20 CONECT 64 20 CONECT 65 27 CONECT 66 27 CONECT 67 27 CONECT 68 29 CONECT 69 29 CONECT 70 29 CONECT 71 31 CONECT 72 33 CONECT 73 34 CONECT 74 35 CONECT 75 38 CONECT 76 39 CONECT 77 40 MASTER 0 0 0 0 0 0 0 0 77 0 77 0 END M END $$$$