D0J0AT AUTHOR GENERATED BY OPEN BABEL 2.4.1 HETATM 1 C UNL 1 -6.365 6.458 -2.660 1.00 0.00 C HETATM 2 C UNL 1 -6.669 7.515 -1.799 1.00 0.00 C HETATM 3 N UNL 1 -5.023 6.266 -2.367 1.00 0.00 N HETATM 4 C UNL 1 -4.707 6.986 -1.210 1.00 0.00 C HETATM 5 N UNL 1 -5.661 7.843 -0.940 1.00 0.00 N HETATM 6 C UNL 1 -3.605 6.606 -0.237 1.00 0.00 C HETATM 7 C UNL 1 -3.360 5.258 -0.241 1.00 0.00 C HETATM 8 C UNL 1 -4.439 4.555 0.276 1.00 0.00 C HETATM 9 C UNL 1 -4.980 5.013 1.475 1.00 0.00 C HETATM 10 C UNL 1 -4.469 6.219 1.972 1.00 0.00 C HETATM 11 C UNL 1 -3.745 7.034 1.083 1.00 0.00 C HETATM 12 CL UNL 1 -2.850 8.379 1.666 1.00 0.00 Cl HETATM 13 N UNL 1 -4.973 3.489 -0.456 1.00 0.00 N HETATM 14 C UNL 1 -4.514 3.174 -1.735 1.00 0.00 C HETATM 15 C UNL 1 -7.210 5.939 -3.770 1.00 0.00 C HETATM 16 C UNL 1 -8.474 6.548 -3.819 1.00 0.00 C HETATM 17 C UNL 1 -8.968 7.029 -5.024 1.00 0.00 C HETATM 18 C UNL 1 -8.342 6.673 -6.204 1.00 0.00 C HETATM 19 C UNL 1 -7.357 5.691 -6.169 1.00 0.00 C HETATM 20 C UNL 1 -6.791 5.290 -4.944 1.00 0.00 C HETATM 21 S UNL 1 -5.711 3.875 -5.014 1.00 0.00 S HETATM 22 C UNL 1 -4.579 1.757 -2.107 1.00 0.00 C HETATM 23 O UNL 1 -3.894 3.935 -2.472 1.00 0.00 O HETATM 24 C UNL 1 -3.406 1.324 -2.745 1.00 0.00 C HETATM 25 C UNL 1 -2.932 0.048 -2.490 1.00 0.00 C HETATM 26 C UNL 1 -3.611 -0.837 -1.679 1.00 0.00 C HETATM 27 C UNL 1 -4.951 -0.447 -1.309 1.00 0.00 C HETATM 28 C UNL 1 -5.466 0.834 -1.566 1.00 0.00 C HETATM 29 C UNL 1 -6.927 1.173 -1.429 1.00 0.00 C HETATM 30 N UNL 1 -3.053 -2.076 -1.316 1.00 0.00 N HETATM 31 C UNL 1 -1.531 -2.380 -1.315 1.00 0.00 C HETATM 32 C UNL 1 -1.252 -3.920 -1.482 1.00 0.00 C HETATM 33 N UNL 1 -2.293 -4.505 -2.336 1.00 0.00 N HETATM 34 C UNL 1 -3.435 -4.566 -1.423 1.00 0.00 C HETATM 35 C UNL 1 -3.994 -3.189 -0.999 1.00 0.00 C HETATM 36 C UNL 1 -2.435 -3.747 -3.601 1.00 0.00 C HETATM 37 C UNL 1 -4.290 -5.753 -1.802 1.00 0.00 C HETATM 38 C UNL 1 -0.048 -4.748 -1.946 1.00 0.00 C HETATM 39 H UNL 1 -7.597 8.069 -1.758 1.00 0.00 H HETATM 40 H UNL 1 -4.438 5.528 -2.748 1.00 0.00 H HETATM 41 H UNL 1 -2.408 4.958 0.230 1.00 0.00 H HETATM 42 H UNL 1 -5.773 4.492 2.000 1.00 0.00 H HETATM 43 H UNL 1 -4.650 6.527 2.996 1.00 0.00 H HETATM 44 H UNL 1 -5.685 2.934 -0.010 1.00 0.00 H HETATM 45 H UNL 1 -8.986 6.833 -2.903 1.00 0.00 H HETATM 46 H UNL 1 -9.792 7.734 -5.016 1.00 0.00 H HETATM 47 H UNL 1 -8.647 7.122 -7.143 1.00 0.00 H HETATM 48 H UNL 1 -7.017 5.270 -7.113 1.00 0.00 H HETATM 49 H UNL 1 -6.237 3.308 -6.119 1.00 0.00 H HETATM 50 H UNL 1 -2.795 2.012 -3.315 1.00 0.00 H HETATM 51 H UNL 1 -1.987 -0.220 -2.953 1.00 0.00 H HETATM 52 H UNL 1 -5.619 -1.159 -0.805 1.00 0.00 H HETATM 53 H UNL 1 -7.424 0.549 -0.679 1.00 0.00 H HETATM 54 H UNL 1 -7.440 1.027 -2.391 1.00 0.00 H HETATM 55 H UNL 1 -7.122 2.217 -1.152 1.00 0.00 H HETATM 56 H UNL 1 -1.129 -2.044 -0.346 1.00 0.00 H HETATM 57 H UNL 1 -1.005 -1.827 -2.099 1.00 0.00 H HETATM 58 H UNL 1 -1.311 -4.270 -0.441 1.00 0.00 H HETATM 59 H UNL 1 -3.071 -4.936 -0.451 1.00 0.00 H HETATM 60 H UNL 1 -4.131 -3.181 0.088 1.00 0.00 H HETATM 61 H UNL 1 -4.982 -3.058 -1.459 1.00 0.00 H HETATM 62 H UNL 1 -1.488 -3.781 -4.157 1.00 0.00 H HETATM 63 H UNL 1 -2.653 -2.677 -3.528 1.00 0.00 H HETATM 64 H UNL 1 -3.198 -4.167 -4.258 1.00 0.00 H HETATM 65 H UNL 1 -4.373 -5.895 -2.882 1.00 0.00 H HETATM 66 H UNL 1 -5.276 -5.728 -1.342 1.00 0.00 H HETATM 67 H UNL 1 -3.773 -6.651 -1.422 1.00 0.00 H HETATM 68 H UNL 1 0.175 -4.686 -3.014 1.00 0.00 H HETATM 69 H UNL 1 -0.333 -5.811 -1.789 1.00 0.00 H HETATM 70 H UNL 1 0.854 -4.617 -1.352 1.00 0.00 H CONECT 1 2 3 15 CONECT 2 1 5 39 CONECT 3 1 4 40 CONECT 4 3 5 6 CONECT 5 4 2 CONECT 6 4 7 11 CONECT 7 6 8 41 CONECT 8 7 9 13 CONECT 9 8 10 42 CONECT 10 9 11 43 CONECT 11 10 6 12 CONECT 12 11 CONECT 13 8 14 44 CONECT 14 13 22 23 CONECT 15 1 16 20 CONECT 16 15 17 45 CONECT 17 16 18 46 CONECT 18 17 19 47 CONECT 19 18 20 48 CONECT 20 19 15 21 CONECT 21 20 49 CONECT 22 14 24 28 CONECT 23 14 CONECT 24 22 25 50 CONECT 25 24 26 51 CONECT 26 25 27 30 CONECT 27 26 28 52 CONECT 28 27 22 29 CONECT 29 28 53 54 55 CONECT 30 26 31 35 CONECT 31 30 32 56 57 CONECT 32 31 33 38 58 CONECT 33 32 34 36 CONECT 34 33 35 37 59 CONECT 35 34 30 60 61 CONECT 36 33 62 63 64 CONECT 37 34 65 66 67 CONECT 38 32 68 69 70 CONECT 39 2 CONECT 40 3 CONECT 41 7 CONECT 42 9 CONECT 43 10 CONECT 44 13 CONECT 45 16 CONECT 46 17 CONECT 47 18 CONECT 48 19 CONECT 49 21 CONECT 50 24 CONECT 51 25 CONECT 52 27 CONECT 53 29 CONECT 54 29 CONECT 55 29 CONECT 56 31 CONECT 57 31 CONECT 58 32 CONECT 59 34 CONECT 60 35 CONECT 61 35 CONECT 62 36 CONECT 63 36 CONECT 64 36 CONECT 65 37 CONECT 66 37 CONECT 67 37 CONECT 68 38 CONECT 69 38 CONECT 70 38 MASTER 0 0 0 0 0 0 0 0 70 0 70 0 END M END $$$$