D01AYP AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 3.321 2.030 3.689 1.00 0.00 C HETATM 2 C UNL 1 3.731 2.340 5.594 1.00 0.00 C HETATM 3 C UNL 1 2.812 2.079 4.517 1.00 0.00 C HETATM 4 C UNL 1 2.766 3.861 4.202 1.00 0.00 C HETATM 5 C UNL 1 2.878 4.231 2.895 1.00 0.00 C HETATM 6 C UNL 1 2.577 3.033 2.530 1.00 0.00 C HETATM 7 C UNL 1 2.694 0.597 2.730 1.00 0.00 C HETATM 8 C UNL 1 3.088 5.243 1.825 1.00 0.00 C HETATM 9 O UNL 1 4.322 5.242 1.053 1.00 0.00 O HETATM 10 C UNL 1 5.487 5.777 1.596 1.00 0.00 C HETATM 11 BR UNL 1 0.341 3.446 2.835 1.00 0.00 Br HETATM 12 C UNL 1 6.687 5.558 0.840 1.00 0.00 C HETATM 13 C UNL 1 7.691 4.744 1.375 1.00 0.00 C HETATM 14 C UNL 1 7.306 4.156 2.554 1.00 0.00 C HETATM 15 C UNL 1 6.809 5.223 3.420 1.00 0.00 C HETATM 16 C UNL 1 5.618 5.772 2.976 1.00 0.00 C HETATM 17 O UNL 1 7.799 6.314 3.481 1.00 0.00 O HETATM 18 C UNL 1 8.083 7.252 4.577 1.00 0.00 C HETATM 19 C UNL 1 9.607 7.275 4.734 1.00 0.00 C HETATM 20 C UNL 1 10.520 8.378 5.008 1.00 0.00 C HETATM 21 C UNL 1 11.914 8.228 4.841 1.00 0.00 C HETATM 22 N UNL 1 12.419 7.140 4.236 1.00 0.00 N HETATM 23 C UNL 1 11.543 6.125 3.963 1.00 0.00 C HETATM 24 C UNL 1 10.249 6.080 4.348 1.00 0.00 C HETATM 25 C UNL 1 6.352 2.898 2.077 1.00 0.00 C HETATM 26 N UNL 1 6.745 1.462 2.133 1.00 0.00 N HETATM 27 C UNL 1 6.659 0.975 3.499 1.00 0.00 C HETATM 28 C UNL 1 7.196 -0.405 3.839 1.00 0.00 C HETATM 29 C UNL 1 8.173 -1.041 2.876 1.00 0.00 C HETATM 30 C UNL 1 8.241 -0.458 1.481 1.00 0.00 C HETATM 31 C UNL 1 7.911 1.038 1.338 1.00 0.00 C HETATM 32 CL UNL 1 7.117 6.616 -0.449 1.00 0.00 Cl HETATM 33 C UNL 1 1.284 0.426 2.461 1.00 0.00 C HETATM 34 C UNL 1 0.639 -0.303 1.413 1.00 0.00 C HETATM 35 C UNL 1 1.397 -0.944 0.477 1.00 0.00 C HETATM 36 C UNL 1 2.769 -0.702 0.549 1.00 0.00 C HETATM 37 C UNL 1 3.372 0.110 1.596 1.00 0.00 C HETATM 38 C UNL 1 7.671 1.172 -0.188 1.00 0.00 C HETATM 39 O UNL 1 8.552 1.432 -0.997 1.00 0.00 O HETATM 40 O UNL 1 6.425 0.811 -0.587 1.00 0.00 O HETATM 41 C UNL 1 12.933 9.252 5.265 1.00 0.00 C HETATM 42 N UNL 1 13.718 9.994 5.631 1.00 0.00 N HETATM 43 H UNL 1 4.390 2.527 6.366 1.00 0.00 H HETATM 44 H UNL 1 1.802 1.760 5.010 1.00 0.00 H HETATM 45 H UNL 1 3.106 4.543 4.988 1.00 0.00 H HETATM 46 H UNL 1 2.784 6.261 2.060 1.00 0.00 H HETATM 47 H UNL 1 2.379 4.947 1.025 1.00 0.00 H HETATM 48 H UNL 1 8.619 4.485 0.883 1.00 0.00 H HETATM 49 H UNL 1 4.932 6.348 3.594 1.00 0.00 H HETATM 50 H UNL 1 7.588 6.956 5.508 1.00 0.00 H HETATM 51 H UNL 1 7.727 8.239 4.256 1.00 0.00 H HETATM 52 H UNL 1 10.143 9.353 5.335 1.00 0.00 H HETATM 53 H UNL 1 11.889 5.336 3.305 1.00 0.00 H HETATM 54 H UNL 1 9.645 5.200 4.207 1.00 0.00 H HETATM 55 H UNL 1 6.109 3.050 1.015 1.00 0.00 H HETATM 56 H UNL 1 5.390 3.015 2.570 1.00 0.00 H HETATM 57 H UNL 1 5.596 0.917 3.743 1.00 0.00 H HETATM 58 H UNL 1 7.081 1.703 4.199 1.00 0.00 H HETATM 59 H UNL 1 6.356 -1.094 4.004 1.00 0.00 H HETATM 60 H UNL 1 7.693 -0.332 4.816 1.00 0.00 H HETATM 61 H UNL 1 9.171 -1.011 3.326 1.00 0.00 H HETATM 62 H UNL 1 7.926 -2.108 2.787 1.00 0.00 H HETATM 63 H UNL 1 7.605 -1.069 0.826 1.00 0.00 H HETATM 64 H UNL 1 9.260 -0.619 1.099 1.00 0.00 H HETATM 65 H UNL 1 8.778 1.649 1.601 1.00 0.00 H HETATM 66 H UNL 1 0.568 1.120 2.861 1.00 0.00 H HETATM 67 H UNL 1 -0.439 -0.204 1.259 1.00 0.00 H HETATM 68 H UNL 1 0.927 -1.444 -0.367 1.00 0.00 H HETATM 69 H UNL 1 3.362 -1.036 -0.302 1.00 0.00 H HETATM 70 H UNL 1 4.323 0.557 1.342 1.00 0.00 H HETATM 71 H UNL 1 5.905 0.547 0.195 1.00 0.00 H CONECT 1 2 6 7 CONECT 2 1 3 43 CONECT 3 2 4 44 CONECT 4 3 5 45 CONECT 5 4 6 8 CONECT 6 5 1 11 CONECT 7 1 33 37 CONECT 8 5 9 46 47 CONECT 9 8 10 CONECT 10 9 12 16 CONECT 11 6 CONECT 12 10 13 32 CONECT 13 12 14 48 CONECT 14 13 15 25 CONECT 15 14 16 17 CONECT 16 15 10 49 CONECT 17 15 18 CONECT 18 17 19 50 51 CONECT 19 18 20 24 CONECT 20 19 21 52 CONECT 21 20 22 41 CONECT 22 21 23 CONECT 23 22 24 53 CONECT 24 23 19 54 CONECT 25 14 26 55 56 CONECT 26 25 27 31 CONECT 27 26 28 57 58 CONECT 28 27 29 59 60 CONECT 29 28 30 61 62 CONECT 30 29 31 63 64 CONECT 31 30 26 38 65 CONECT 32 12 CONECT 33 7 34 66 CONECT 34 33 35 67 CONECT 35 34 36 68 CONECT 36 35 37 69 CONECT 37 36 7 70 CONECT 38 31 39 40 CONECT 39 38 CONECT 40 38 71 CONECT 41 21 42 CONECT 42 41 CONECT 43 2 CONECT 44 3 CONECT 45 4 CONECT 46 8 CONECT 47 8 CONECT 48 13 CONECT 49 16 CONECT 50 18 CONECT 51 18 CONECT 52 20 CONECT 53 23 CONECT 54 24 CONECT 55 25 CONECT 56 25 CONECT 57 27 CONECT 58 27 CONECT 59 28 CONECT 60 28 CONECT 61 29 CONECT 62 29 CONECT 63 30 CONECT 64 30 CONECT 65 31 CONECT 66 33 CONECT 67 34 CONECT 68 35 CONECT 69 36 CONECT 70 37 CONECT 71 40 MASTER 0 0 0 0 0 0 0 0 71 0 71 0 END M END $$$$