D05HBW AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 1.126 3.565 -0.714 1.00 0.00 C HETATM 2 N UNL 1 1.277 2.181 -0.242 1.00 0.00 N HETATM 3 C UNL 1 2.475 1.446 -0.674 1.00 0.00 C HETATM 4 C UNL 1 2.449 0.044 -0.087 1.00 0.00 C HETATM 5 N UNL 1 1.745 0.014 1.203 1.00 0.00 N HETATM 6 O UNL 1 3.380 -0.788 -0.322 1.00 0.00 O HETATM 7 C UNL 1 3.718 2.175 -0.190 1.00 0.00 C HETATM 8 C UNL 1 2.118 -0.979 2.221 1.00 0.00 C HETATM 9 C UNL 1 3.577 -0.788 2.603 1.00 0.00 C HETATM 10 C UNL 1 1.244 -0.796 3.451 1.00 0.00 C HETATM 11 O UNL 1 0.359 0.116 3.472 1.00 0.00 O HETATM 12 N UNL 1 1.423 -1.673 4.617 1.00 0.00 N HETATM 13 C UNL 1 -1.050 -1.487 8.658 1.00 0.00 C HETATM 14 C UNL 1 0.081 -2.354 8.130 1.00 0.00 C HETATM 15 N UNL 1 0.454 -3.347 9.148 1.00 0.00 N HETATM 16 C UNL 1 0.964 -2.523 6.859 1.00 0.00 C HETATM 17 C UNL 1 0.578 -1.497 5.807 1.00 0.00 C HETATM 18 C UNL 1 1.531 -4.309 8.876 1.00 0.00 C HETATM 19 C UNL 1 0.476 -3.366 9.142 1.00 0.00 C HETATM 20 C UNL 1 0.090 -2.340 8.089 1.00 0.00 C HETATM 21 C UNL 1 7.092 3.789 5.046 1.00 0.00 C HETATM 22 C UNL 1 6.893 2.390 4.487 1.00 0.00 C HETATM 23 C UNL 1 5.434 2.200 4.104 1.00 0.00 C HETATM 24 C UNL 1 5.235 0.801 3.545 1.00 0.00 C HETATM 25 C UNL 1 3.776 0.611 3.163 1.00 0.00 C HETATM 26 C UNL 1 -1.436 -0.461 7.605 1.00 0.00 C HETATM 27 O UNL 1 -2.333 -0.737 6.748 1.00 0.00 O HETATM 28 N UNL 1 -0.773 0.850 7.579 1.00 0.00 N HETATM 29 C UNL 1 -1.146 1.843 6.561 1.00 0.00 C HETATM 30 C UNL 1 -8.755 10.067 6.077 1.00 0.00 C HETATM 31 C UNL 1 -7.644 9.358 5.319 1.00 0.00 C HETATM 32 O UNL 1 -7.108 8.320 6.127 1.00 0.00 O HETATM 33 C UNL 1 -6.052 7.510 5.633 1.00 0.00 C HETATM 34 C UNL 1 -2.277 2.710 7.090 1.00 0.00 C HETATM 35 C UNL 1 -5.508 6.457 6.452 1.00 0.00 C HETATM 36 C UNL 1 -4.436 5.636 5.952 1.00 0.00 C HETATM 37 C UNL 1 -3.893 4.584 6.771 1.00 0.00 C HETATM 38 C UNL 1 -2.821 3.762 6.270 1.00 0.00 C HETATM 39 C UNL 1 1.897 -5.282 9.873 1.00 0.00 C HETATM 40 C UNL 1 1.207 -5.311 11.137 1.00 0.00 C HETATM 41 C UNL 1 0.152 -4.368 11.403 1.00 0.00 C HETATM 42 C UNL 1 -0.214 -3.396 10.406 1.00 0.00 C HETATM 43 CL UNL 1 -0.701 -4.405 12.966 1.00 0.00 Cl HETATM 44 CL UNL 1 3.201 -6.447 9.544 1.00 0.00 Cl HETATM 45 H UNL 1 0.217 3.976 -0.327 1.00 0.00 H HETATM 46 H UNL 1 1.095 3.576 -1.783 1.00 0.00 H HETATM 47 H UNL 1 1.955 4.150 -0.374 1.00 0.00 H HETATM 48 H UNL 1 0.464 1.657 -0.566 1.00 0.00 H HETATM 49 H UNL 1 2.491 1.385 -1.742 1.00 0.00 H HETATM 50 H UNL 1 1.023 0.659 1.385 1.00 0.00 H HETATM 51 H UNL 1 3.703 2.235 0.878 1.00 0.00 H HETATM 52 H UNL 1 3.737 3.161 -0.603 1.00 0.00 H HETATM 53 H UNL 1 4.590 1.640 -0.504 1.00 0.00 H HETATM 54 H UNL 1 1.978 -1.963 1.827 1.00 0.00 H HETATM 55 H UNL 1 3.753 -1.790 2.271 1.00 0.00 H HETATM 56 H UNL 1 -1.555 -1.520 9.601 1.00 0.00 H HETATM 57 H UNL 1 0.927 -1.739 7.905 1.00 0.00 H HETATM 58 H UNL 1 -0.240 -2.858 7.242 1.00 0.00 H HETATM 59 H UNL 1 1.684 -2.846 6.137 1.00 0.00 H HETATM 60 H UNL 1 0.718 -0.512 6.201 1.00 0.00 H HETATM 61 H UNL 1 -0.449 -1.630 5.538 1.00 0.00 H HETATM 62 H UNL 1 0.230 -1.355 8.483 1.00 0.00 H HETATM 63 H UNL 1 -0.937 -2.474 7.820 1.00 0.00 H HETATM 64 H UNL 1 7.140 4.017 6.091 1.00 0.00 H HETATM 65 H UNL 1 7.526 4.756 4.900 1.00 0.00 H HETATM 66 H UNL 1 7.164 1.668 5.228 1.00 0.00 H HETATM 67 H UNL 1 7.508 2.262 3.621 1.00 0.00 H HETATM 68 H UNL 1 5.162 2.923 3.363 1.00 0.00 H HETATM 69 H UNL 1 4.819 2.329 4.970 1.00 0.00 H HETATM 70 H UNL 1 5.506 0.078 4.286 1.00 0.00 H HETATM 71 H UNL 1 5.850 0.672 2.679 1.00 0.00 H HETATM 72 H UNL 1 3.504 1.333 2.422 1.00 0.00 H HETATM 73 H UNL 1 3.161 0.739 4.029 1.00 0.00 H HETATM 74 H UNL 1 -0.078 1.064 8.244 1.00 0.00 H HETATM 75 H UNL 1 -0.392 1.438 5.918 1.00 0.00 H HETATM 76 H UNL 1 -8.628 11.015 6.556 1.00 0.00 H HETATM 77 H UNL 1 -9.803 10.282 6.082 1.00 0.00 H HETATM 78 H UNL 1 -6.872 10.058 5.080 1.00 0.00 H HETATM 79 H UNL 1 -8.039 8.939 4.417 1.00 0.00 H HETATM 80 H UNL 1 -5.886 6.292 7.398 1.00 0.00 H HETATM 81 H UNL 1 -4.058 5.802 5.006 1.00 0.00 H HETATM 82 H UNL 1 -4.271 4.418 7.717 1.00 0.00 H HETATM 83 H UNL 1 -2.442 3.928 5.325 1.00 0.00 H HETATM 84 H UNL 1 1.469 -6.008 11.852 1.00 0.00 H HETATM 85 H UNL 1 -0.970 -2.720 10.597 1.00 0.00 H CONECT 1 2 45 46 47 CONECT 2 1 3 48 CONECT 3 7 4 2 49 CONECT 4 5 6 3 CONECT 5 4 8 50 CONECT 6 4 CONECT 7 3 51 52 53 CONECT 8 5 9 10 54 CONECT 9 8 21 25 55 CONECT 10 8 11 12 CONECT 11 10 CONECT 12 10 13 17 CONECT 13 12 14 26 56 CONECT 14 13 15 57 58 CONECT 15 14 16 18 CONECT 16 15 17 20 59 CONECT 17 16 12 60 61 CONECT 18 15 19 39 CONECT 19 18 20 42 CONECT 20 19 16 62 63 CONECT 21 9 22 64 65 CONECT 22 21 23 66 67 CONECT 23 22 24 68 69 CONECT 24 23 25 70 71 CONECT 25 24 9 72 73 CONECT 26 13 27 28 CONECT 27 26 CONECT 28 26 29 74 CONECT 29 28 30 34 75 CONECT 30 29 31 76 77 CONECT 31 30 32 78 79 CONECT 32 31 33 CONECT 33 32 34 35 CONECT 34 33 29 38 CONECT 35 33 36 80 CONECT 36 35 37 81 CONECT 37 36 38 82 CONECT 38 37 34 83 CONECT 39 18 40 44 CONECT 40 39 41 84 CONECT 41 40 42 43 CONECT 42 41 19 85 CONECT 43 41 CONECT 44 39 CONECT 45 1 CONECT 46 1 CONECT 47 1 CONECT 48 2 CONECT 49 3 CONECT 50 5 CONECT 51 7 CONECT 52 7 CONECT 53 7 CONECT 54 8 CONECT 55 9 CONECT 56 13 CONECT 57 14 CONECT 58 14 CONECT 59 16 CONECT 60 17 CONECT 61 17 CONECT 62 20 CONECT 63 20 CONECT 64 21 CONECT 65 21 CONECT 66 22 CONECT 67 22 CONECT 68 23 CONECT 69 23 CONECT 70 24 CONECT 71 24 CONECT 72 25 CONECT 73 25 CONECT 74 28 CONECT 75 29 CONECT 76 30 CONECT 77 30 CONECT 78 31 CONECT 79 31 CONECT 80 35 CONECT 81 36 CONECT 82 37 CONECT 83 38 CONECT 84 40 CONECT 85 42 MASTER 0 0 0 0 0 0 0 0 85 0 85 0 END M END $$$$