D0WZ8N AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 12.590 0.866 1.495 1.00 0.00 C HETATM 2 C UNL 1 12.117 1.981 0.499 1.00 0.00 C HETATM 3 C UNL 1 10.602 1.762 0.158 1.00 0.00 C HETATM 4 C UNL 1 11.801 0.923 2.818 1.00 0.00 C HETATM 5 C UNL 1 12.012 2.283 3.501 1.00 0.00 C HETATM 6 C UNL 1 11.605 3.406 2.535 1.00 0.00 C HETATM 7 C UNL 1 10.117 3.255 2.198 1.00 0.00 C HETATM 8 C UNL 1 9.843 1.875 1.543 1.00 0.00 C HETATM 9 C UNL 1 10.312 0.756 2.498 1.00 0.00 C HETATM 10 C UNL 1 12.413 3.307 1.225 1.00 0.00 C HETATM 11 C UNL 1 9.802 2.622 -0.897 1.00 0.00 C HETATM 12 C UNL 1 9.874 2.787 -2.464 1.00 0.00 C HETATM 13 O UNL 1 8.848 2.853 -3.118 1.00 0.00 O HETATM 14 N UNL 1 11.101 3.116 -3.063 1.00 0.00 N HETATM 15 C UNL 1 11.250 3.851 -4.384 1.00 0.00 C HETATM 16 C UNL 1 11.066 3.091 -5.726 1.00 0.00 C HETATM 17 C UNL 1 11.317 3.818 -7.152 1.00 0.00 C HETATM 18 N UNL 1 12.571 4.471 -7.741 1.00 0.00 N HETATM 19 C UNL 1 12.425 4.707 -9.218 1.00 0.00 C HETATM 20 C UNL 1 13.650 5.176 -10.137 1.00 0.00 C HETATM 21 N UNL 1 15.019 4.801 -9.710 1.00 0.00 N HETATM 22 C UNL 1 15.138 4.231 -8.334 1.00 0.00 C HETATM 23 C UNL 1 13.839 3.769 -7.534 1.00 0.00 C HETATM 24 C UNL 1 16.192 5.159 -10.447 1.00 0.00 C HETATM 25 C UNL 1 16.243 5.720 -11.754 1.00 0.00 C HETATM 26 C UNL 1 17.491 6.016 -12.501 1.00 0.00 C HETATM 27 C UNL 1 18.759 5.751 -11.977 1.00 0.00 C HETATM 28 C UNL 1 18.701 5.221 -10.674 1.00 0.00 C HETATM 29 C UNL 1 17.491 4.944 -9.946 1.00 0.00 C HETATM 30 N UNL 1 20.061 5.910 -12.555 1.00 0.00 N HETATM 31 C UNL 1 20.752 6.553 -13.602 1.00 0.00 C HETATM 32 N UNL 1 20.135 7.181 -14.607 1.00 0.00 N HETATM 33 C UNL 1 20.898 8.029 -15.338 1.00 0.00 C HETATM 34 C UNL 1 22.216 8.291 -15.079 1.00 0.00 C HETATM 35 C UNL 1 22.875 7.447 -14.189 1.00 0.00 C HETATM 36 N UNL 1 22.130 6.580 -13.445 1.00 0.00 N HETATM 37 CL UNL 1 23.005 9.643 -15.820 1.00 0.00 Cl HETATM 38 N UNL 1 24.256 7.674 -14.025 1.00 0.00 N HETATM 39 C UNL 1 25.270 6.772 -13.512 1.00 0.00 C HETATM 40 C UNL 1 25.280 6.343 -12.082 1.00 0.00 C HETATM 41 C UNL 1 24.580 6.901 -10.995 1.00 0.00 C HETATM 42 C UNL 1 24.708 6.272 -9.735 1.00 0.00 C HETATM 43 C UNL 1 25.697 5.327 -9.535 1.00 0.00 C HETATM 44 C UNL 1 26.630 5.095 -10.518 1.00 0.00 C HETATM 45 C UNL 1 26.222 5.336 -11.812 1.00 0.00 C HETATM 46 N UNL 1 23.912 6.475 -8.597 1.00 0.00 N HETATM 47 C UNL 1 23.131 7.487 -8.259 1.00 0.00 C HETATM 48 C UNL 1 22.481 7.301 -6.923 1.00 0.00 C HETATM 49 O UNL 1 22.893 8.521 -8.921 1.00 0.00 O HETATM 50 C UNL 1 22.281 8.313 -6.066 1.00 0.00 C HETATM 51 H UNL 1 13.659 0.982 1.716 1.00 0.00 H HETATM 52 H UNL 1 12.471 -0.128 1.043 1.00 0.00 H HETATM 53 H UNL 1 12.717 1.914 -0.413 1.00 0.00 H HETATM 54 H UNL 1 10.513 0.724 -0.190 1.00 0.00 H HETATM 55 H UNL 1 12.129 0.124 3.497 1.00 0.00 H HETATM 56 H UNL 1 13.061 2.399 3.808 1.00 0.00 H HETATM 57 H UNL 1 11.412 2.339 4.419 1.00 0.00 H HETATM 58 H UNL 1 11.788 4.377 3.014 1.00 0.00 H HETATM 59 H UNL 1 9.822 4.073 1.532 1.00 0.00 H HETATM 60 H UNL 1 9.514 3.371 3.106 1.00 0.00 H HETATM 61 H UNL 1 8.764 1.761 1.395 1.00 0.00 H HETATM 62 H UNL 1 9.723 0.774 3.423 1.00 0.00 H HETATM 63 H UNL 1 10.143 -0.226 2.038 1.00 0.00 H HETATM 64 H UNL 1 13.482 3.363 1.472 1.00 0.00 H HETATM 65 H UNL 1 12.195 4.161 0.576 1.00 0.00 H HETATM 66 H UNL 1 9.631 3.629 -0.505 1.00 0.00 H HETATM 67 H UNL 1 8.806 2.140 -0.833 1.00 0.00 H HETATM 68 H UNL 1 11.855 3.275 -2.404 1.00 0.00 H HETATM 69 H UNL 1 12.265 4.255 -4.364 1.00 0.00 H HETATM 70 H UNL 1 10.546 4.700 -4.349 1.00 0.00 H HETATM 71 H UNL 1 10.012 2.764 -5.747 1.00 0.00 H HETATM 72 H UNL 1 11.637 2.146 -5.698 1.00 0.00 H HETATM 73 H UNL 1 10.545 4.604 -7.199 1.00 0.00 H HETATM 74 H UNL 1 10.990 3.057 -7.873 1.00 0.00 H HETATM 75 H UNL 1 11.642 5.468 -9.344 1.00 0.00 H HETATM 76 H UNL 1 12.021 3.797 -9.690 1.00 0.00 H HETATM 77 H UNL 1 13.588 6.263 -10.257 1.00 0.00 H HETATM 78 H UNL 1 13.478 4.731 -11.128 1.00 0.00 H HETATM 79 H UNL 1 15.669 4.956 -7.705 1.00 0.00 H HETATM 80 H UNL 1 15.760 3.330 -8.413 1.00 0.00 H HETATM 81 H UNL 1 13.707 2.692 -7.688 1.00 0.00 H HETATM 82 H UNL 1 14.087 3.895 -6.472 1.00 0.00 H HETATM 83 H UNL 1 15.315 5.951 -12.270 1.00 0.00 H HETATM 84 H UNL 1 17.404 6.440 -13.500 1.00 0.00 H HETATM 85 H UNL 1 19.640 5.006 -10.162 1.00 0.00 H HETATM 86 H UNL 1 17.631 4.550 -8.946 1.00 0.00 H HETATM 87 H UNL 1 20.798 5.660 -11.916 1.00 0.00 H HETATM 88 H UNL 1 20.393 8.552 -16.145 1.00 0.00 H HETATM 89 H UNL 1 24.596 7.999 -14.930 1.00 0.00 H HETATM 90 H UNL 1 26.221 7.326 -13.643 1.00 0.00 H HETATM 91 H UNL 1 25.374 5.908 -14.185 1.00 0.00 H HETATM 92 H UNL 1 23.896 7.725 -11.152 1.00 0.00 H HETATM 93 H UNL 1 25.836 4.828 -8.573 1.00 0.00 H HETATM 94 H UNL 1 27.626 5.485 -10.269 1.00 0.00 H HETATM 95 H UNL 1 26.684 4.763 -12.620 1.00 0.00 H HETATM 96 H UNL 1 24.072 5.814 -7.858 1.00 0.00 H HETATM 97 H UNL 1 22.235 6.286 -6.648 1.00 0.00 H HETATM 98 H UNL 1 22.534 9.335 -6.322 1.00 0.00 H HETATM 99 H UNL 1 21.866 8.128 -5.090 1.00 0.00 H CONECT 1 2 4 51 52 CONECT 2 1 3 10 53 CONECT 3 2 8 11 54 CONECT 4 1 5 9 55 CONECT 5 4 6 56 57 CONECT 6 5 7 10 58 CONECT 7 6 8 59 60 CONECT 8 7 3 9 61 CONECT 9 4 8 62 63 CONECT 10 2 6 64 65 CONECT 11 3 12 66 67 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 68 CONECT 15 14 16 69 70 CONECT 16 15 17 71 72 CONECT 17 16 18 73 74 CONECT 18 17 19 23 CONECT 19 18 20 75 76 CONECT 20 19 21 77 78 CONECT 21 20 22 24 CONECT 22 21 23 79 80 CONECT 23 22 18 81 82 CONECT 24 21 25 29 CONECT 25 24 26 83 CONECT 26 25 27 84 CONECT 27 26 28 30 CONECT 28 27 29 85 CONECT 29 28 24 86 CONECT 30 27 31 87 CONECT 31 30 32 36 CONECT 32 31 33 CONECT 33 32 34 88 CONECT 34 33 35 37 CONECT 35 34 36 38 CONECT 36 35 31 CONECT 37 34 CONECT 38 35 39 89 CONECT 39 38 40 90 91 CONECT 40 39 41 45 CONECT 41 40 42 92 CONECT 42 41 43 46 CONECT 43 42 44 93 CONECT 44 43 45 94 CONECT 45 44 40 95 CONECT 46 42 47 96 CONECT 47 46 48 49 CONECT 48 47 50 97 CONECT 49 47 CONECT 50 48 98 99 CONECT 51 1 CONECT 52 1 CONECT 53 2 CONECT 54 3 CONECT 55 4 CONECT 56 5 CONECT 57 5 CONECT 58 6 CONECT 59 7 CONECT 60 7 CONECT 61 8 CONECT 62 9 CONECT 63 9 CONECT 64 10 CONECT 65 10 CONECT 66 11 CONECT 67 11 CONECT 68 14 CONECT 69 15 CONECT 70 15 CONECT 71 16 CONECT 72 16 CONECT 73 17 CONECT 74 17 CONECT 75 19 CONECT 76 19 CONECT 77 20 CONECT 78 20 CONECT 79 22 CONECT 80 22 CONECT 81 23 CONECT 82 23 CONECT 83 25 CONECT 84 26 CONECT 85 28 CONECT 86 29 CONECT 87 30 CONECT 88 33 CONECT 89 38 CONECT 90 39 CONECT 91 39 CONECT 92 41 CONECT 93 43 CONECT 94 44 CONECT 95 45 CONECT 96 46 CONECT 97 48 CONECT 98 50 CONECT 99 50 MASTER 0 0 0 0 0 0 0 0 99 0 99 0 END M END $$$$