D03HEK AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 2.066 -1.550 0.054 1.00 0.00 C HETATM 2 C UNL 1 2.259 -2.390 -1.296 1.00 0.00 C HETATM 3 C UNL 1 2.773 -3.849 -1.123 1.00 0.00 C HETATM 4 C UNL 1 3.922 -3.840 -0.067 1.00 0.00 C HETATM 5 C UNL 1 4.239 -2.458 0.580 1.00 0.00 C HETATM 6 C UNL 1 3.022 -1.949 1.312 1.00 0.00 C HETATM 7 N UNL 1 2.474 -2.941 2.472 1.00 0.00 N HETATM 8 C UNL 1 3.305 -3.757 3.375 1.00 0.00 C HETATM 9 N UNL 1 2.870 -4.915 4.137 1.00 0.00 N HETATM 10 C UNL 1 3.667 -5.463 5.228 1.00 0.00 C HETATM 11 C UNL 1 4.802 -4.765 5.534 1.00 0.00 C HETATM 12 C UNL 1 5.201 -3.762 4.637 1.00 0.00 C HETATM 13 N UNL 1 4.505 -3.242 3.604 1.00 0.00 N HETATM 14 N UNL 1 3.441 -6.873 6.034 1.00 0.00 N HETATM 15 C UNL 1 4.078 -7.513 7.243 1.00 0.00 C HETATM 16 C UNL 1 3.622 -8.898 7.466 1.00 0.00 C HETATM 17 C UNL 1 2.666 -9.031 6.402 1.00 0.00 C HETATM 18 C UNL 1 2.559 -7.872 5.623 1.00 0.00 C HETATM 19 C UNL 1 4.962 -6.988 8.212 1.00 0.00 C HETATM 20 C UNL 1 5.379 -7.778 9.301 1.00 0.00 C HETATM 21 C UNL 1 4.993 -9.121 9.488 1.00 0.00 C HETATM 22 C UNL 1 4.111 -9.818 8.628 1.00 0.00 C HETATM 23 C UNL 1 1.638 -5.111 -1.069 1.00 0.00 C HETATM 24 N UNL 1 3.779 -11.233 9.106 1.00 0.00 N HETATM 25 C UNL 1 4.668 -12.017 10.082 1.00 0.00 C HETATM 26 C UNL 1 4.132 -13.409 10.623 1.00 0.00 C HETATM 27 C UNL 1 3.604 -14.313 9.522 1.00 0.00 C HETATM 28 C UNL 1 2.573 -13.476 8.742 1.00 0.00 C HETATM 29 C UNL 1 2.951 -12.063 8.223 1.00 0.00 C HETATM 30 S UNL 1 2.692 -15.854 10.077 1.00 0.00 S HETATM 31 O UNL 1 1.651 -15.461 11.004 1.00 0.00 O HETATM 32 O UNL 1 2.331 -16.565 8.859 1.00 0.00 O HETATM 33 C UNL 1 3.723 -17.014 10.972 1.00 0.00 C HETATM 34 N UNL 1 0.538 -5.031 -0.213 1.00 0.00 N HETATM 35 O UNL 1 1.796 -6.093 -1.794 1.00 0.00 O HETATM 36 C UNL 1 -0.711 -5.886 -0.165 1.00 0.00 C HETATM 37 N UNL 1 -1.839 -5.361 0.670 1.00 0.00 N HETATM 38 C UNL 1 -1.757 -3.997 1.057 1.00 0.00 C HETATM 39 C UNL 1 -0.531 -3.499 1.558 1.00 0.00 C HETATM 40 C UNL 1 0.460 -3.801 0.474 1.00 0.00 C HETATM 41 C UNL 1 -3.231 -5.462 0.557 1.00 0.00 C HETATM 42 N UNL 1 -3.572 -4.355 -0.087 1.00 0.00 N HETATM 43 N UNL 1 -2.758 -3.386 0.416 1.00 0.00 N HETATM 44 C UNL 1 -4.060 -5.939 1.744 1.00 0.00 C HETATM 45 F UNL 1 -3.318 -6.627 2.647 1.00 0.00 F HETATM 46 F UNL 1 -4.580 -4.885 2.435 1.00 0.00 F HETATM 47 F UNL 1 -5.087 -6.711 1.389 1.00 0.00 F HETATM 48 H UNL 1 1.013 -1.425 0.322 1.00 0.00 H HETATM 49 H UNL 1 2.323 -0.522 -0.259 1.00 0.00 H HETATM 50 H UNL 1 3.020 -1.852 -1.891 1.00 0.00 H HETATM 51 H UNL 1 1.375 -2.348 -1.949 1.00 0.00 H HETATM 52 H UNL 1 3.275 -4.068 -2.082 1.00 0.00 H HETATM 53 H UNL 1 4.853 -4.163 -0.546 1.00 0.00 H HETATM 54 H UNL 1 3.701 -4.558 0.719 1.00 0.00 H HETATM 55 H UNL 1 4.540 -1.742 -0.192 1.00 0.00 H HETATM 56 H UNL 1 5.100 -2.498 1.256 1.00 0.00 H HETATM 57 H UNL 1 3.207 -0.982 1.804 1.00 0.00 H HETATM 58 H UNL 1 2.094 -2.292 3.165 1.00 0.00 H HETATM 59 H UNL 1 5.444 -4.980 6.369 1.00 0.00 H HETATM 60 H UNL 1 6.195 -3.327 4.732 1.00 0.00 H HETATM 61 H UNL 1 2.071 -9.920 6.233 1.00 0.00 H HETATM 62 H UNL 1 1.937 -7.678 4.761 1.00 0.00 H HETATM 63 H UNL 1 5.296 -5.961 8.190 1.00 0.00 H HETATM 64 H UNL 1 6.013 -7.331 10.061 1.00 0.00 H HETATM 65 H UNL 1 5.387 -9.591 10.385 1.00 0.00 H HETATM 66 H UNL 1 4.841 -11.433 10.993 1.00 0.00 H HETATM 67 H UNL 1 5.641 -12.207 9.612 1.00 0.00 H HETATM 68 H UNL 1 3.355 -13.247 11.381 1.00 0.00 H HETATM 69 H UNL 1 4.940 -13.936 11.161 1.00 0.00 H HETATM 70 H UNL 1 4.417 -14.677 8.883 1.00 0.00 H HETATM 71 H UNL 1 1.693 -13.368 9.393 1.00 0.00 H HETATM 72 H UNL 1 2.228 -14.072 7.890 1.00 0.00 H HETATM 73 H UNL 1 3.442 -12.174 7.254 1.00 0.00 H HETATM 74 H UNL 1 1.999 -11.544 8.085 1.00 0.00 H HETATM 75 H UNL 1 3.981 -16.625 11.957 1.00 0.00 H HETATM 76 H UNL 1 4.599 -17.295 10.391 1.00 0.00 H HETATM 77 H UNL 1 3.111 -17.918 11.118 1.00 0.00 H HETATM 78 H UNL 1 -0.426 -6.835 0.305 1.00 0.00 H HETATM 79 H UNL 1 -1.083 -6.044 -1.178 1.00 0.00 H HETATM 80 H UNL 1 -0.569 -2.418 1.683 1.00 0.00 H HETATM 81 H UNL 1 -0.233 -3.945 2.504 1.00 0.00 H HETATM 82 H UNL 1 1.438 -3.728 0.879 1.00 0.00 H HETATM 83 H UNL 1 0.244 -3.102 -0.340 1.00 0.00 H CONECT 1 2 6 48 49 CONECT 2 1 3 50 51 CONECT 3 2 4 23 52 CONECT 4 3 5 53 54 CONECT 5 4 6 55 56 CONECT 6 5 1 7 57 CONECT 7 8 6 58 CONECT 8 7 9 13 CONECT 9 8 10 CONECT 10 9 11 14 CONECT 11 10 12 59 CONECT 12 11 13 60 CONECT 13 12 8 CONECT 14 10 15 18 CONECT 15 14 16 19 CONECT 16 15 17 22 CONECT 17 16 18 61 CONECT 18 17 14 62 CONECT 19 15 20 63 CONECT 20 19 21 64 CONECT 21 20 22 65 CONECT 22 21 16 24 CONECT 23 3 34 35 CONECT 24 22 25 29 CONECT 25 24 26 66 67 CONECT 26 25 27 68 69 CONECT 27 26 28 30 70 CONECT 28 27 29 71 72 CONECT 29 28 24 73 74 CONECT 30 27 31 32 33 CONECT 31 30 CONECT 32 30 CONECT 33 30 75 76 77 CONECT 34 23 36 40 CONECT 35 23 CONECT 36 34 37 78 79 CONECT 37 36 38 41 CONECT 38 37 39 43 CONECT 39 38 40 80 81 CONECT 40 39 34 82 83 CONECT 41 37 42 44 CONECT 42 41 43 CONECT 43 42 38 CONECT 44 41 45 46 47 CONECT 45 44 CONECT 46 44 CONECT 47 44 CONECT 48 1 CONECT 49 1 CONECT 50 2 CONECT 51 2 CONECT 52 3 CONECT 53 4 CONECT 54 4 CONECT 55 5 CONECT 56 5 CONECT 57 6 CONECT 58 7 CONECT 59 11 CONECT 60 12 CONECT 61 17 CONECT 62 18 CONECT 63 19 CONECT 64 20 CONECT 65 21 CONECT 66 25 CONECT 67 25 CONECT 68 26 CONECT 69 26 CONECT 70 27 CONECT 71 28 CONECT 72 28 CONECT 73 29 CONECT 74 29 CONECT 75 33 CONECT 76 33 CONECT 77 33 CONECT 78 36 CONECT 79 36 CONECT 80 39 CONECT 81 39 CONECT 82 40 CONECT 83 40 MASTER 0 0 0 0 0 0 0 0 83 0 83 0 END M END $$$$